NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3731 8.2893 120.3493 55.4730 32.1004 173.8218 2 N 4.4747 8.0455 120.6688 50.4023 38.0009 171.4882 3 E 3.9872 9.3606 125.3598 56.8991 29.3209 178.4186 4 L 4.4168 8.1405 124.7399 53.3212 40.5982 175.9776 5 E 4.5194 7.9950 123.1499 53.5651 32.0390 175.8119 6 G 3.7760 8.1462 112.6081 45.2458 0.0000 172.2031 7 Y 4.7441 8.9529 117.4296 56.0886 40.0270 176.8798 8 V 4.0675 8.5706 123.8145 63.4420 32.5232 177.5448 9 T 4.2080 8.1669 117.3312 66.0828 68.8931 175.0354 10 K 4.3966 7.9454 120.2247 56.5195 32.3583 177.0334 11 A 4.3201 8.1029 123.8133 53.5105 19.1472 182.0472 12 Q 3.5699 7.6866 111.5385 58.0615 31.5061 180.1457 13 S 4.0958 8.0047 110.8431 59.9230 63.1861 174.2739 14 F 4.2723 8.6482 119.9814 56.4480 39.8980 174.5392 15 R 4.5615 8.3511 121.7480 54.7135 32.1788 174.3483 16 F 5.7864 8.9595 122.9111 54.7213 43.8766 173.5649 17 A 4.6995 8.3002 120.1595 50.4904 22.4542 174.9882 18 I 4.8245 8.7617 122.8576 59.4555 40.3505 174.9766 19 V 4.5835 8.6495 125.7547 61.1764 34.3447 174.6058 20 V 5.3303 8.7719 120.6198 58.3573 35.3339 174.6261 21 A 5.6145 8.4382 125.4919 50.5016 19.7066 177.8214 22 R 4.2651 8.9651 121.5928 58.8247 30.7203 176.6670 23 F 4.0887 8.2745 119.9114 59.7928 39.7988 174.1836 24 N 4.3259 8.4224 123.2620 54.3883 36.2995 176.0451 25 E 4.4869 8.0366 121.6090 59.3502 29.3915 177.6856 26 F 3.9894 8.3470 118.7318 60.9759 39.4269 176.4039 27 V 4.1285 8.5184 117.1383 65.0387 32.0746 177.5461 28 T 3.8621 8.0127 109.0786 65.1246 68.2783 175.3280 29 R 4.0606 8.4858 122.1289 59.3473 29.9976 178.1405 30 R 3.8170 7.9764 116.7622 59.3144 30.1397 178.1853 31 L 3.8373 8.1797 120.1933 58.6162 41.9446 178.7117 32 M 3.8592 8.6767 118.0365 58.8525 32.1578 177.6637 33 E 4.0750 8.7341 119.1124 59.6107 29.5420 179.8710 34 G 3.4914 8.4496 105.4852 47.6985 0.0000 175.3109 35 A 3.6595 7.7840 124.0593 54.7942 18.4853 178.8704 36 L 4.0716 8.2466 118.7674 58.6417 41.9983 178.2956 37 D 4.4056 8.5281 117.6831 58.1572 41.1178 178.7975 38 T 3.8833 8.0130 115.9092 66.9292 68.1915 176.1009 39 F 4.3196 7.6037 118.1489 60.7322 39.2766 177.3984 40 K 4.1706 8.1886 117.2149 59.7201 31.7782 179.0700 41 K 3.8360 8.5417 118.5299 59.2574 32.6233 176.9089 42 Y 4.2897 8.6096 117.5843 58.5183 38.3226 176.0308 43 S 3.8432 8.1751 111.0806 58.8555 63.5715 172.8755 44 V 3.9616 7.8696 120.3896 62.0847 31.6989 175.7662 45 N 4.7154 8.3266 120.8523 53.6830 40.5513 174.0652 46 E 4.5117 9.0403 125.9910 56.3122 30.7331 174.4755 47 D 4.2931 8.7522 113.9780 59.8984 40.1707 173.9584 48 I 3.5542 6.5072 108.7699 58.3888 39.4542 174.3825 49 D 4.6592 8.7209 124.1844 54.0209 42.2489 175.4175 50 V 4.6509 8.3566 116.2754 59.5403 34.0378 175.0153 51 V 4.2886 8.8502 126.8925 60.9284 33.4069 174.3658 52 W 5.1667 8.8438 128.0732 55.8772 30.3597 176.1606 53 V 4.7118 9.1558 118.0480 58.8719 34.8468 174.8389 54 P 4.3454 0.0000 0.0000 65.5296 32.0166 176.3841 55 G 4.5405 8.1566 108.3576 42.3725 0.0000 173.1938 56 A 3.9604 8.6338 122.8175 55.3471 18.3608 179.4434 57 Y 3.9037 8.3566 116.1075 61.1976 38.6986 178.1348 58 E 4.1118 8.6330 119.1930 59.4743 29.5253 179.3683 59 L 3.9716 7.7492 118.8885 58.7208 41.7472 179.0334 60 G 3.6811 7.8456 101.5158 49.3730 0.0000 175.6130 61 V 3.6663 7.6965 112.0457 63.8634 32.1263 178.6032 62 T 3.8315 7.7583 114.6929 66.6693 68.2913 176.2699 63 A 3.8919 8.5839 122.6197 55.6370 18.4227 179.4089 64 Q 3.8180 8.4807 118.1469 59.9606 29.2564 178.7942 65 A 4.0153 8.7913 122.1782 54.6559 18.0882 179.1069 66 L 4.1536 8.2238 117.7944 57.8659 42.3219 180.2499 67 G 3.8091 8.8806 105.5848 47.9720 0.0000 176.0691 68 K 4.1531 8.1127 120.2080 58.3140 32.4485 178.9880 69 S 4.3459 8.3461 114.2259 58.7186 62.6686 175.2253 70 G 3.9661 7.8623 109.5510 46.2825 0.0000 174.7373 71 K 3.7988 7.7593 119.1944 58.0612 32.2289 176.8720 72 Y 4.7852 7.4081 114.2137 56.5696 40.4061 174.9195 73 H 4.8200 9.2046 118.4475 57.5072 30.0185 175.8058 74 A 4.9657 7.9062 118.3440 50.6864 22.7425 175.0728 75 I 4.8710 8.8477 115.7067 58.9220 40.7033 174.6707 76 V 4.6308 8.8477 125.7696 60.1086 33.8842 174.1156 77 C 5.0891 9.0899 123.1205 57.8861 30.5541 172.8138 78 L 5.5362 8.0485 123.4947 52.0889 44.9644 175.8031 79 G 4.2967 8.0562 107.3161 46.3451 0.0000 171.9225 80 A 5.2060 8.5591 121.4493 50.5254 22.1458 176.2430 81 V 4.2713 9.1712 123.2255 59.9373 33.6023 175.1919 82 V 4.3335 8.4571 119.4606 60.5204 32.6590 177.6050 83 K 3.5999 8.5519 127.2531 56.7626 29.3053 177.0217 84 G 3.7861 8.5936 113.4171 47.2546 0.0000 171.6588 85 D 4.6132 7.7560 117.1838 54.6097 43.4356 177.7719 86 T 4.2782 8.4193 114.7375 61.2895 70.7966 176.0622 87 S 4.9302 8.5453 116.9163 60.1544 62.6157 175.2401 88 H 3.8765 7.9453 122.7997 60.0857 29.4041 175.3295 89 Y 4.1747 8.2050 120.5514 61.3921 38.5397 177.7255 90 D 4.2134 8.4953 118.2388 57.9661 41.0340 178.6083 91 A 3.8667 8.2800 120.2737 55.9113 18.2805 179.4621 92 V 3.6138 8.3512 115.6792 66.0445 31.6047 178.2931 93 V 3.4936 8.0267 117.9719 66.4075 31.1851 177.8485 94 N 4.2411 8.7783 116.1371 56.3517 38.3759 177.2482 95 S 3.9374 8.1720 116.1865 62.1877 62.9824 176.3061 96 A 3.9153 8.7226 123.9038 55.3051 17.9676 179.1189 97 S 4.1959 8.7713 110.1702 61.7198 62.5478 176.6122 98 S 4.1078 8.8464 116.0821 61.6409 62.0659 176.1689 99 G 3.6591 8.5109 108.4175 48.2343 0.0000 175.3761 100 V 3.6487 7.9389 121.1037 65.8164 31.4414 177.3655 101 L 3.9388 8.1784 120.0139 57.6067 41.7803 178.7476 102 S 4.0757 8.8125 114.7954 62.0547 63.0423 176.5091 103 A 4.1325 8.6656 123.2199 55.3990 17.9998 179.5005 104 G 4.3150 8.3179 102.9643 47.8384 0.0000 175.4423 105 L 4.0276 7.8365 120.1454 57.5858 41.8012 179.0401 106 N 4.5031 8.6765 115.7629 56.4519 38.6389 177.3898 107 S 4.3877 8.7548 114.4577 58.9610 63.3625 175.3556 108 G 3.9758 8.0364 109.4119 45.7030 0.0000 172.8446 109 V 4.5428 7.7780 120.0475 59.8358 34.3222 173.2020 110 P 4.5472 0.0000 0.0000 63.3041 32.3109 174.7649 111 C 5.2270 8.5901 122.3300 57.8142 30.6017 173.7959 112 V 3.7493 8.8872 125.8326 62.5181 32.3386 175.3809 113 F 4.5022 8.9885 131.5468 56.4362 37.8988 175.5222 114 G 4.1762 8.7996 118.6741 44.1345 0.0000 170.7301 115 V 4.8347 6.3684 116.9749 59.6016 34.3705 177.2879 116 L 4.4333 8.9012 125.7708 54.1506 42.9706 177.1179 117 T 5.4040 7.9258 111.9734 60.4054 68.2652 173.1903 118 C 4.2898 8.1888 119.2565 60.5078 30.1553 174.5213 119 D 4.5163 8.9990 120.1213 56.0563 39.5783 176.7333 120 N 4.7200 9.5758 116.3727 51.9346 39.4288 175.8097 121 M 3.9728 8.8383 119.7615 59.2112 32.2220 177.8021 122 D 4.3670 8.2294 117.2842 57.7840 41.0051 178.1574 123 Q 3.9996 8.7658 116.8063 59.0231 29.0375 178.6040 124 A 4.1599 7.7170 120.6283 55.5636 18.3406 179.4532 125 I 3.7767 8.0430 118.0809 65.1649 37.2438 178.2872 126 N 4.4252 8.1351 116.6559 56.1710 38.4035 177.5523 127 R 4.0587 8.6296 119.3023 57.6049 30.9025 176.8418 128 A 4.4387 7.5501 123.8111 51.4155 18.1991 177.5130 129 G 3.9159 8.9807 106.1232 45.7555 0.0000 173.8984 130 G 4.2161 7.7603 111.0117 44.1098 0.0000 175.4516 131 K 4.1469 8.3387 120.0495 58.1203 32.5912 177.2526 132 A 4.4790 7.9903 121.4922 51.8019 20.0571 178.5442 133 G 3.7271 8.6726 105.1898 45.3830 0.0000 172.9099 134 N 5.8195 7.9851 119.7394 49.9293 41.4165 175.5605 135 K 4.1351 8.1595 131.1972 58.9435 32.3424 177.9889 136 G 3.7731 8.2196 104.9709 48.0947 0.0000 174.8349 137 A 3.7753 8.3862 123.4688 54.5849 17.9343 179.2407 138 E 3.7345 8.0345 116.8034 59.8575 29.0538 179.8280 139 S 4.0041 8.5623 114.9506 61.5440 62.8355 176.5104 140 A 3.3861 7.5598 123.0501 54.8978 17.9522 179.0568 141 L 3.3579 7.4401 118.4690 58.6853 42.0258 179.4530 142 T 3.6884 8.0849 115.3647 66.3879 68.2922 176.1190 143 A 3.8911 8.0731 123.0062 55.8232 18.2496 179.1355 144 I 3.6286 7.5633 117.7374 64.6863 37.1609 177.7530 145 E 3.8328 8.3644 119.3742 59.9448 29.4316 179.4157 146 M 3.8246 8.4206 118.2887 58.4155 31.7995 178.1246 147 A 3.8523 7.9120 119.6750 55.3329 18.7814 178.9044 148 S 4.2291 7.9999 110.9001 61.5969 62.3641 176.2296 149 L 4.0047 8.3999 122.9581 58.6707 41.7766 179.0215 150 F 4.4310 8.8907 117.4515 59.2307 39.8472 174.6956 151 E 5.1548 7.9449 118.2362 52.7890 28.7327 173.8722 152 H 4.8982 7.8707 129.6055 56.8744 32.1959 174.7101 153 H 4.4629 8.9976 113.7580 57.2517 29.0153 175.0529 154 L 3.9665 7.3097 120.7705 53.1599 41.9694 173.9687 155 K 4.1209 7.5213 120.8268 56.8059 32.7086 175.9466 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 8.29 4.37 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.05 4.47 0.00 2.91 2.79 0.00 0.00 6.34 6.77 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 3 E 9.36 3.99 0.00 1.97 1.97 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 2.31 2.33 0.00 4 L 8.14 4.42 0.00 1.68 1.82 0.96 0.97 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 5 E 7.99 4.52 0.00 1.79 1.58 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 2.03 2.17 0.00 6 G 8.15 3.78 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 0.00 0.00 0.00 7 Y 8.95 4.74 0.00 3.00 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 8 V 8.57 4.07 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 0.96 0.00 0.00 0.88 0.00 0.00 9 T 8.17 4.21 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.95 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.61 1.85 7.81 11 A 8.10 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.69 3.57 0.00 2.31 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.00 4.10 0.00 3.62 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.65 4.27 0.00 2.65 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.35 4.56 0.00 1.83 1.65 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 16 F 8.96 5.79 0.00 2.48 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 17 A 8.30 4.70 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.76 4.82 1.75 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 1.18 0.95 0.74 0.00 0.00 19 V 8.65 4.58 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 0.98 0.00 0.00 0.85 0.00 0.00 20 V 8.77 5.33 1.73 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 0.49 0.00 0.00 -0.59 0.00 0.00 21 A 8.44 5.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.97 4.27 0.00 2.00 2.15 0.00 3.14 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 0.00 23 F 8.27 4.09 0.00 3.32 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 24 N 8.42 4.33 0.00 3.26 3.06 0.00 0.00 6.72 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.04 4.49 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 26 F 8.35 3.99 0.00 3.10 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 27 V 8.52 4.13 2.28 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 1.05 0.00 0.00 1.15 0.00 0.00 28 T 8.01 3.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 29 R 8.49 4.06 0.00 2.17 1.99 0.00 3.34 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 30 R 7.98 3.82 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.18 3.84 0.00 1.88 1.71 0.92 0.85 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 32 M 8.68 3.86 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 33 E 8.73 4.07 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 34 G 8.45 3.49 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 0.00 35 A 7.78 3.66 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.25 4.07 0.00 1.99 1.72 1.02 1.09 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 37 D 8.53 4.41 0.00 2.80 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 38 T 8.01 3.88 4.05 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 0.81 0.00 0.00 39 F 7.60 4.32 0.00 3.34 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 40 K 8.19 4.17 0.00 2.01 1.94 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.68 7.81 41 K 8.54 3.84 0.00 1.92 2.29 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 42 Y 8.61 4.29 0.00 3.33 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 43 S 8.18 3.84 0.00 4.13 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 44 V 7.87 3.96 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 0.89 0.00 0.00 1.32 0.00 0.00 45 N 8.33 4.72 0.00 2.75 2.75 0.00 0.00 6.94 7.53 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 46 E 9.04 4.51 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 47 D 8.75 4.29 0.00 2.79 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 48 I 6.51 3.55 1.72 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 1.41 1.58 0.52 0.00 0.00 49 D 8.72 4.66 0.00 2.61 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 50 V 8.36 4.65 1.77 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 0.61 0.00 0.00 0.91 0.00 0.00 51 V 8.85 4.29 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 1.06 0.00 0.00 0.86 0.00 0.00 52 W 8.84 5.17 0.00 3.25 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 9.16 4.71 2.17 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 0.78 0.00 0.00 1.09 0.00 0.00 54 P 0.00 4.35 0.00 2.21 2.38 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.16 4.54 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 0.00 0.00 0.00 56 A 8.63 3.96 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 57 Y 8.36 3.90 0.00 3.03 3.01 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 58 E 8.63 4.11 0.00 2.41 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 59 L 7.75 3.97 0.00 1.75 1.69 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.85 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 61 V 7.70 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 0.82 0.00 0.00 1.03 0.00 0.00 62 T 7.76 3.83 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 1.21 0.00 0.00 63 A 8.58 3.89 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 64 Q 8.48 3.82 0.00 2.20 2.38 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 2.38 2.50 0.00 65 A 8.79 4.02 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 66 L 8.22 4.15 0.00 1.73 1.70 0.72 1.06 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 67 G 8.88 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 0.00 0.00 0.00 68 K 8.11 4.15 0.00 1.88 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.35 4.35 0.00 4.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.86 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 0.00 0.00 0.00 71 K 7.76 3.80 0.00 0.79 1.17 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.37 7.81 72 Y 7.41 4.79 0.00 2.95 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 73 H 9.20 4.82 0.00 2.85 3.46 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.91 4.97 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 75 I 8.85 4.87 1.78 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 1.27 1.32 0.77 0.00 0.00 76 V 8.85 4.63 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 0.97 0.00 0.00 0.83 0.00 0.00 77 C 9.09 5.09 0.00 2.69 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 78 L 8.05 5.54 0.00 1.39 1.40 0.79 0.62 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 79 G 8.06 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 0.00 0.00 0.00 0.00 80 A 8.56 5.21 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 81 V 9.17 4.27 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 0.85 0.00 0.00 0.87 0.00 0.00 82 V 8.46 4.33 2.32 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.55 3.60 0.00 0.79 1.35 0.00 0.87 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 0.65 7.81 84 G 8.59 3.79 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 0.00 0.00 0.00 85 D 7.76 4.61 0.00 2.63 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 86 T 8.42 4.28 4.29 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 1.24 0.00 0.00 87 S 8.55 4.93 0.00 4.28 4.21 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 88 H 7.95 3.88 0.00 3.26 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.20 4.17 0.00 3.10 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 90 D 8.50 4.21 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.28 3.87 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 92 V 8.35 3.61 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 93 V 8.03 3.49 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 0.91 0.00 0.00 0.08 0.00 0.00 94 N 8.78 4.24 0.00 2.84 2.79 0.00 0.00 7.05 8.02 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 95 S 8.17 3.94 0.00 3.71 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.72 3.92 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 97 S 8.77 4.20 0.00 3.70 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 98 S 8.85 4.11 0.00 3.81 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 99 G 8.51 3.66 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 0.00 0.00 0.00 100 V 7.94 3.65 2.45 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 1.10 0.00 0.00 1.02 0.00 0.00 101 L 8.18 3.94 0.00 1.84 1.71 0.88 0.76 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 0.00 102 S 8.81 4.08 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.67 4.13 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 0.00 104 G 8.32 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 0.00 0.00 0.00 0.00 105 L 7.84 4.03 0.00 1.80 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.68 4.50 0.00 2.71 2.90 0.00 0.00 7.20 7.95 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 0.00 107 S 8.75 4.39 0.00 4.03 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 0.00 108 G 8.04 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 0.00 109 V 7.78 4.54 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 1.09 0.00 0.00 1.07 0.00 0.00 110 P 0.00 4.55 0.00 1.95 1.74 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 111 C 8.59 5.23 0.00 2.94 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 0.00 112 V 8.89 3.75 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 0.82 0.00 0.00 0.95 0.00 0.00 113 F 8.99 4.50 0.00 3.04 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 0.00 114 G 8.80 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 0.00 0.00 0.00 115 V 6.37 4.83 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 -0.71 0.00 0.00 0.75 0.00 0.00 116 L 8.90 4.43 0.00 1.62 1.66 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.93 5.40 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 1.26 0.00 0.00 118 C 8.19 4.29 0.00 2.97 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 0.00 119 D 9.00 4.52 0.00 2.68 2.52 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 0.00 120 N 9.58 4.72 0.00 2.89 2.91 0.00 0.00 6.77 8.19 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 0.00 121 M 8.84 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.23 4.37 0.00 2.74 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 0.00 123 Q 8.77 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.72 4.16 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 0.00 125 I 8.04 3.78 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.40 1.02 0.00 0.00 126 N 8.14 4.43 0.00 3.01 2.87 0.00 0.00 7.02 7.32 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 0.00 127 R 8.63 4.06 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 128 A 7.55 4.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.98 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 0.00 0.00 0.00 130 G 7.76 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 0.00 0.00 0.00 131 K 8.34 4.15 0.00 1.86 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.48 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 8.67 3.73 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 0.00 0.00 0.00 134 N 7.99 5.82 0.00 2.80 2.60 0.00 0.00 6.78 6.62 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 0.00 135 K 8.16 4.14 0.00 1.83 1.74 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.35 7.81 136 G 8.22 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 0.00 0.00 0.00 137 A 8.39 3.78 1.25 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 0.00 0.00 138 E 8.03 3.73 0.00 2.11 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 2.26 2.44 0.00 139 S 8.56 4.00 0.00 3.83 3.80 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 0.00 140 A 7.56 3.39 0.22 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 0.00 141 L 7.44 3.36 0.00 1.43 1.63 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.08 3.69 4.29 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 1.12 0.00 0.00 143 A 8.07 3.89 1.23 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 0.00 0.00 144 I 7.56 3.63 1.93 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 1.32 0.58 0.92 0.00 0.00 145 E 8.36 3.83 0.00 1.94 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 2.24 2.31 0.00 146 M 8.42 3.82 0.00 1.65 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 147 A 7.91 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.00 4.23 0.00 3.84 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 0.00 149 L 8.40 4.00 0.00 1.85 2.03 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.89 4.43 0.00 3.43 3.15 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 0.00 151 E 7.94 5.15 0.00 2.25 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 0.00 2.41 2.37 0.00 152 H 7.87 4.90 0.00 3.38 3.69 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.00 4.46 0.00 3.32 3.73 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.31 3.97 0.00 1.74 1.62 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.52 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.40 7.81