NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4554 8.3044 118.1952 55.1559 32.5583 174.3194 1 V 4.2381 7.9187 118.6731 60.8055 34.3987 173.4847 2 L 4.3651 8.2938 127.3058 53.7771 43.8156 176.6716 3 S 4.5796 8.8867 117.6048 57.4738 65.5508 175.0745 4 E 4.2843 8.7581 121.7122 59.4455 29.4261 178.7569 5 G 3.6213 8.1080 105.3760 47.6758 0.0000 175.4835 6 E 3.9095 7.8043 119.4168 59.0867 29.4236 179.3187 7 W 4.3936 8.1029 118.9822 60.0285 29.1163 178.6359 8 Q 4.1405 8.6529 118.2969 58.8823 27.9664 178.7778 9 L 4.0926 7.9787 119.9729 57.5946 41.6355 179.6909 10 V 3.7254 7.9331 118.2136 66.2377 31.6616 178.1213 11 L 4.3549 8.5448 118.5023 57.2644 41.0347 178.9862 12 H 4.2188 8.4712 119.1804 59.3124 29.9224 177.6949 13 V 3.4488 7.8213 120.9754 64.3530 31.3306 178.1250 14 W 4.0309 8.5178 129.0243 60.0912 30.2668 177.7556 15 A 4.0238 7.8741 120.2174 54.8884 18.0205 179.5702 16 K 3.9398 7.4163 116.7948 59.5396 32.1115 179.5275 17 V 2.8765 7.0970 118.3875 65.9088 31.0224 177.5735 18 E 3.8643 7.4808 115.3882 57.8846 29.3315 178.4731 19 A 4.2066 7.5301 120.6718 53.7398 19.8110 177.7124 20 D 4.6560 7.9107 116.5220 52.2247 42.9508 175.5620 21 V 3.4459 7.8958 123.0282 65.4559 32.0643 176.8071 22 A 4.0713 7.9652 120.2281 55.0487 18.2963 179.6859 23 G 3.6904 8.2559 105.5602 47.8374 0.0000 175.7505 24 H 4.2155 8.2387 118.8769 58.2054 28.6710 178.1550 25 G 3.5593 8.4567 108.1254 47.6905 0.0000 175.3793 26 Q 3.8441 8.0536 122.1750 59.0770 29.1063 178.1592 27 D 4.3055 7.8974 119.6989 57.4649 40.8517 179.0907 28 I 3.6651 7.8036 120.1223 64.4013 37.0986 178.5711 29 L 3.4970 7.7033 119.8078 57.4663 41.2213 179.7029 30 I 3.5902 7.5585 119.7923 64.1686 37.0115 178.2553 31 R 3.7647 7.8495 119.5329 59.3529 29.7849 178.1454 32 L 3.8991 7.6964 119.8353 58.4201 41.9307 179.0928 33 F 4.5490 7.9016 117.6344 60.3978 38.5401 177.9959 34 K 4.0244 8.2005 117.9787 59.5072 31.9675 179.2827 35 S 4.3075 8.0086 114.5107 60.3155 64.1917 174.5291 36 H 4.7433 8.3223 118.5926 51.9492 29.3319 171.7816 37 P 4.5364 0.0000 0.0000 64.5637 30.9413 177.5110 38 E 4.1296 8.2004 116.0825 59.2731 29.4737 179.0931 39 T 3.9578 8.2510 111.5613 64.4800 68.9285 176.3769 40 L 3.6761 7.8899 123.1723 57.9470 41.7839 178.7188 41 E 4.1378 7.8073 116.5570 58.7195 29.4472 178.5584 42 K 4.4955 8.1065 116.7448 56.5149 33.0607 177.6448 43 F 4.5657 8.1653 119.7354 55.4038 38.9756 175.5299 44 D 4.3669 8.4691 124.0160 57.0471 41.0568 178.5567 45 R 3.8468 7.8156 118.1083 58.2523 30.2745 176.6083 46 F 5.1108 8.0291 113.8984 56.5051 40.7265 176.5738 47 K 3.8420 8.3810 121.8432 59.4476 31.9036 176.9969 48 H 4.5018 8.1452 112.3172 56.8447 29.1644 175.4842 49 L 4.1222 7.6521 121.6456 54.8298 41.6908 176.8377 50 K 4.3489 9.1271 123.5303 57.4311 33.5420 177.1799 51 T 4.7371 7.2984 107.4176 58.7433 73.2887 174.1650 52 E 3.8870 8.7148 121.6250 59.4890 29.6839 178.7381 53 A 4.0163 7.9944 120.2040 55.4281 18.2017 179.3584 54 E 3.9675 7.8752 115.9396 59.6022 29.7788 179.1689 55 M 4.1452 8.1120 118.8498 58.4082 31.8375 178.9905 56 K 3.9745 8.4202 117.4291 58.8248 32.2712 178.3511 57 A 4.5232 7.4669 118.1798 51.4457 19.4141 176.9958 58 S 4.3451 7.5658 113.4397 57.2431 62.5089 174.6120 59 E 4.0364 8.8483 128.8298 59.4224 29.2046 178.7689 60 D 4.4202 8.1309 117.8465 57.2743 41.3737 177.8975 61 L 3.4964 8.0656 120.9567 57.7655 42.1303 178.8558 62 K 3.8907 7.9677 119.4069 59.3461 32.2113 178.9393 63 K 4.0073 8.3420 119.0118 59.8565 31.9482 178.8546 64 H 4.4540 8.6859 118.6684 59.0123 29.8035 177.3414 65 G 3.6563 8.3158 107.9237 47.8439 0.0000 175.7693 66 V 3.6018 7.7169 120.1003 65.9828 31.6169 178.0325 67 T 3.8847 7.7783 115.3050 66.7392 68.3324 176.5284 68 V 3.5786 7.8487 119.8314 66.2727 31.6421 178.1684 69 L 4.2414 8.0823 118.5436 57.8768 41.4444 179.6275 70 T 3.9631 8.3949 116.1164 66.6343 68.2672 176.5257 71 A 4.0153 8.0245 122.6408 55.0056 18.3125 179.4958 72 L 3.7568 8.2187 119.1311 58.0611 42.1462 179.2736 73 G 3.4781 8.7259 105.9225 47.8542 0.0000 175.4952 74 A 4.0342 7.7509 122.0448 54.7659 18.6333 179.6440 75 I 3.7956 7.4264 118.4208 64.5628 37.2604 178.5810 76 L 3.9455 7.8145 120.0262 57.7007 41.1772 179.5806 77 K 4.0230 7.6743 116.7646 58.3313 32.3271 178.7840 78 K 3.9549 7.8312 118.5089 56.1991 32.5323 176.6344 79 K 2.0000 8.2053 118.2657 56.4547 29.8128 175.7676 80 G 3.9800 7.9958 105.8518 45.6662 0.0000 173.8616 81 H 4.6210 7.3423 119.0703 55.2990 27.5055 174.8074 82 H 5.0718 7.7805 112.4681 55.1479 29.6601 176.4228 83 E 3.9961 8.3721 121.6381 60.1122 28.9651 178.9952 84 A 4.0389 7.9152 119.0676 55.1464 18.8673 179.0792 85 E 4.0796 8.1664 116.7693 59.3900 29.5430 179.0746 86 L 4.0495 8.2795 120.5493 57.5338 42.1215 178.8920 87 K 3.9334 7.8319 119.1250 59.1286 32.1152 177.4494 88 P 4.3163 0.0000 0.0000 65.7051 31.2842 178.1351 89 L 4.0574 7.5561 117.5768 57.7766 41.9638 178.7734 90 A 4.1427 8.2628 120.8958 55.2394 18.3004 179.3724 91 Q 3.8157 8.1207 118.2868 59.3590 29.1260 178.6688 92 S 3.9782 8.1670 115.2875 61.8520 63.0784 176.1592 93 H 4.2287 8.5866 119.5416 57.9242 28.5479 177.6995 94 A 2.6484 7.8821 122.8659 54.4605 18.0926 179.2465 95 T 4.0480 7.5089 112.3056 64.8681 69.4443 176.5014 96 K 3.9866 7.5268 120.3947 59.2794 32.5769 177.3836 97 H 4.3756 8.0573 114.2616 55.7392 29.4976 175.3932 98 K 3.6162 7.4339 116.4832 56.3663 28.8487 175.9601 99 I 4.2295 8.0242 119.5149 58.9834 38.4748 175.1240 100 P 4.6294 0.0000 0.0000 62.5612 32.0193 177.6144 101 I 3.5700 8.5076 121.5968 64.0760 36.8912 178.6015 102 K 3.7107 8.0162 120.2850 59.7000 31.8719 177.9858 103 Y 4.1161 8.0861 116.3373 60.3435 37.8654 177.8475 104 A 4.1868 7.9886 122.1849 54.8724 18.3730 179.5200 105 E 3.9724 7.8290 117.0662 59.5889 29.5858 179.4403 106 F 4.4943 7.7874 117.3975 60.7558 39.0504 177.3502 107 I 3.9548 8.0414 117.8399 63.5862 37.7621 178.1501 108 S 4.1977 7.9890 116.0686 61.6415 62.7071 176.1774 109 E 4.0428 8.3399 121.0565 59.5798 29.2292 179.4307 110 A 4.0415 7.9112 120.1411 55.1094 18.4361 179.8136 111 I 3.6765 7.9815 118.3416 64.6545 37.1539 178.7237 112 I 3.8119 7.8862 120.6785 64.5563 36.9309 177.9433 113 H 4.1074 8.4033 119.0766 59.4155 29.7043 177.5805 114 V 3.5905 7.8258 120.0156 65.8548 31.2995 178.0356 115 L 3.7984 7.8397 118.8636 57.8471 41.0757 178.9107 116 H 4.3127 7.9743 117.4673 59.4239 29.8734 177.2614 117 S 4.1719 7.8713 116.1775 61.2838 62.7421 176.1902 118 R 4.1574 7.8660 119.2601 57.1600 31.2074 176.3800 119 H 5.0373 8.2198 115.9511 54.1519 29.6289 173.4559 120 P 4.3134 0.0000 0.0000 65.8707 31.5577 178.9274 121 G 3.6641 8.1125 106.2560 47.2823 0.0000 173.5968 122 N 4.9929 8.1715 115.3884 53.0047 39.6347 174.5404 123 F 4.8677 7.7697 119.1931 56.6081 39.6173 174.3277 124 G 3.8843 7.6657 108.9921 44.0155 0.0000 172.2018 125 A 3.9070 8.3857 120.6515 55.3737 18.2802 179.6304 126 D 4.2194 7.9648 116.6174 57.4116 40.9662 178.7317 127 A 3.9194 7.7365 120.8462 55.0335 18.3715 179.3249 128 Q 3.1738 7.6980 118.2947 58.8572 29.0488 178.6305 129 G 3.5212 7.9982 106.6310 47.6705 0.0000 175.6070 130 A 3.8815 7.9089 123.2061 54.9619 18.3525 179.4262 131 M 4.0031 8.1306 116.8226 58.6806 32.3461 177.8961 132 N 4.2919 8.5342 117.6737 56.6422 39.0598 176.6511 133 K 3.8570 8.0504 120.7108 59.4071 32.2464 178.5260 134 A 3.8392 7.8816 120.9402 55.2338 18.2702 179.6921 135 L 4.0973 8.1444 117.5267 57.8559 41.6008 179.5806 136 E 4.0092 8.7209 119.1860 59.1088 29.3956 178.9621 137 L 3.9441 8.2562 120.7745 58.1765 42.1171 178.7509 138 F 4.1416 8.3449 120.3652 61.5419 39.2452 177.2472 139 R 3.5329 8.4469 117.9926 58.8947 29.8321 178.9860 140 K 3.8382 8.1827 119.5185 59.7022 32.2306 178.6945 141 D 4.3549 8.0734 119.1167 57.3378 40.7054 178.8850 142 I 3.5298 7.6296 120.3168 63.9856 37.0882 178.2057 143 A 3.7231 7.9842 121.7510 55.1257 18.1889 179.5270 144 A 3.9669 7.9880 119.1374 55.3657 18.4651 180.0869 145 K 4.0517 8.1517 116.9711 59.5709 31.9966 179.1693 146 Y 4.1761 8.2385 117.3667 60.9148 37.8564 178.6632 147 K 3.9760 8.1344 120.1739 59.7288 32.1787 178.6707 148 E 4.0151 7.9708 117.4189 59.3449 29.4747 178.7923 149 L 4.3123 7.8479 116.7900 55.3385 41.9492 177.8075 150 G 3.9661 7.8931 107.2411 45.5547 0.0000 173.5749 151 Y 4.2402 7.7580 120.0136 58.4840 39.7443 174.9208 152 Q 4.4689 8.4009 117.8145 56.8004 26.6496 173.4161 153 G 4.5594 8.2310 111.3460 45.5943 0.0000 173.1684 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 0 M 8.30 4.46 0.00 2.13 2.12 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 2.47 2.54 0.00 1 V 7.92 4.24 2.10 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.37 0.00 0.94 0.74 0.61 -0.19 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 3 S 8.89 4.58 0.00 4.01 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 4 E 8.76 4.28 0.00 2.20 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 0.00 2.43 2.52 0.00 5 G 8.11 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.80 3.91 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 7 W 8.10 4.39 0.00 3.58 3.17 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 8 Q 8.65 4.14 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.98 4.09 0.00 1.87 1.74 0.88 0.65 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 10 V 7.93 3.73 2.43 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.54 4.35 0.00 1.84 1.81 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.47 4.22 0.00 3.42 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.45 2.44 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 1.06 0.00 0.00 0.90 0.00 0.00 14 W 8.52 4.03 0.00 3.63 3.17 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 15 A 7.87 4.02 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 16 K 7.42 3.94 0.00 1.41 1.70 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 17 V 7.10 2.88 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 0.00 0.00 -0.13 0.00 0.00 0.45 0.00 0.00 18 E 7.48 3.86 0.00 1.99 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 0.00 2.18 2.00 0.00 19 A 7.53 4.21 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 20 D 7.91 4.66 0.00 2.69 2.51 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 21 V 7.90 3.45 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 1.01 0.00 0.00 0.83 0.00 0.00 22 A 7.97 4.07 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 23 G 8.26 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.22 0.00 3.12 3.23 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 25 G 8.46 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 0.00 0.00 0.00 0.00 26 Q 8.05 3.84 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 27 D 7.90 4.31 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.80 3.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.89 0.00 0.00 29 L 7.70 3.50 0.00 1.38 1.00 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.56 3.59 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.87 0.00 0.00 31 R 7.85 3.76 0.00 1.94 2.06 0.00 3.01 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 7.70 3.90 0.00 1.68 1.43 1.06 0.89 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 33 F 7.90 4.55 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 34 K 8.20 4.02 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.62 7.81 35 S 8.01 4.31 0.00 3.76 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 36 H 8.32 4.74 0.00 2.94 2.78 0.00 5.63 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 37 P 0.00 4.54 0.00 2.15 2.11 0.00 3.81 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 2.09 1.99 0.00 38 E 8.20 4.13 0.00 2.29 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 0.00 2.23 2.47 0.00 39 T 8.25 3.96 4.52 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 0.87 0.00 0.00 40 L 7.89 3.68 0.00 1.39 1.77 -0.04 1.13 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 41 E 7.81 4.14 0.00 2.24 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 2.39 2.55 0.00 42 K 8.11 4.50 0.00 1.93 1.80 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.71 2.00 7.81 43 F 8.17 4.57 0.00 3.27 2.93 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 44 D 8.47 4.37 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.82 3.85 0.00 1.30 0.66 0.00 3.04 0.00 0.00 2.92 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 46 F 8.03 5.11 0.00 2.92 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 47 K 8.38 3.84 0.00 1.86 1.90 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.49 7.81 48 H 8.15 4.50 0.00 3.32 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.65 4.12 0.00 1.58 1.57 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.13 4.35 0.00 1.82 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.53 7.81 51 T 7.30 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.71 3.89 0.00 2.04 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 2.35 2.36 0.00 53 A 7.99 4.02 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 54 E 7.88 3.97 0.00 2.11 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 2.34 2.34 0.00 55 M 8.11 4.15 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 56 K 8.42 3.97 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.47 4.52 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 58 S 7.57 4.35 0.00 3.88 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 59 E 8.85 4.04 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 60 D 8.13 4.42 0.00 2.95 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 61 L 8.07 3.50 0.00 1.28 1.58 0.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.97 3.89 0.00 1.87 1.93 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.34 4.01 0.00 2.08 1.92 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.77 7.81 64 H 8.69 4.45 0.00 3.57 3.51 0.00 5.80 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 65 G 8.32 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 66 V 7.72 3.60 2.27 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.78 3.88 4.46 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 1.28 0.00 0.00 68 V 7.85 3.58 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 1.08 0.00 0.00 0.96 0.00 0.00 69 L 8.08 4.24 0.00 1.80 1.83 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.39 3.96 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 1.25 0.00 0.00 71 A 8.02 4.02 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 72 L 8.22 3.76 0.00 1.64 1.78 0.33 0.81 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 73 G 8.73 3.48 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 0.00 0.00 0.00 74 A 7.75 4.03 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 75 I 7.43 3.80 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 1.54 0.71 0.88 0.00 0.00 76 L 7.81 3.95 0.00 1.21 1.52 -0.25 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.02 0.00 1.73 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.83 3.95 0.00 1.85 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.63 1.60 7.81 79 K 8.21 2.00 0.00 1.28 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.35 0.85 7.81 80 G 8.00 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 81 H 7.34 4.62 0.00 3.18 3.23 0.00 5.80 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 82 H 7.78 5.07 0.00 3.29 3.47 0.00 5.30 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 83 E 8.37 4.00 0.00 2.10 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 0.00 2.42 2.47 0.00 84 A 7.92 4.04 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 85 E 8.17 4.08 0.00 2.26 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 2.44 0.00 86 L 8.28 4.05 0.00 2.03 1.70 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.83 3.93 0.00 1.99 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.60 7.81 88 P 0.00 4.32 0.00 2.30 2.33 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.56 4.06 0.00 1.93 1.78 1.02 1.04 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 90 A 8.26 4.14 1.46 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 0.00 0.00 91 Q 8.12 3.82 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 92 S 8.17 3.98 0.00 3.99 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 93 H 8.59 4.23 0.00 3.54 3.56 0.00 5.80 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 94 A 7.88 2.65 0.42 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 95 T 7.51 4.05 4.15 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 1.14 0.00 0.00 96 K 7.53 3.99 0.00 1.54 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.35 7.81 97 H 8.06 4.38 0.00 3.01 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.43 3.62 0.00 1.86 1.92 0.00 1.71 0.00 0.00 2.34 0.00 0.00 3.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.39 7.81 99 I 8.02 4.23 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 1.06 0.00 0.00 100 P 0.00 4.63 0.00 1.94 2.05 0.00 3.25 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 101 I 8.51 3.57 1.88 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.47 0.79 0.00 0.00 102 K 8.02 3.71 0.00 1.70 1.68 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.10 0.97 7.81 103 Y 8.09 4.12 0.00 3.18 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 0.00 104 A 7.99 4.19 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 0.00 105 E 7.83 3.97 0.00 2.05 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 2.32 2.29 0.00 106 F 7.79 4.49 0.00 3.14 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 0.00 107 I 8.04 3.95 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 1.08 0.00 0.00 108 S 7.99 4.20 0.00 4.19 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 0.00 109 E 8.34 4.04 0.00 2.23 2.10 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 2.46 2.76 0.00 110 A 7.91 4.04 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 0.00 111 I 7.98 3.68 2.09 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 1.60 1.01 1.02 0.00 0.00 112 I 7.89 3.81 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.79 1.12 0.00 0.00 113 H 8.40 4.11 0.00 3.28 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.83 3.59 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 0.91 0.00 0.00 0.99 0.00 0.00 115 L 7.84 3.80 0.00 0.46 0.66 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.97 4.31 0.00 3.43 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.87 4.17 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.87 4.16 0.00 1.68 1.62 0.00 3.10 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 119 H 8.22 5.04 0.00 3.21 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.20 2.25 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.11 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 0.00 122 N 8.17 4.99 0.00 2.81 2.94 0.00 0.00 6.66 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.77 4.87 0.00 3.00 3.02 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 0.00 124 G 7.67 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 0.00 125 A 8.39 3.91 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 0.00 126 D 7.96 4.22 0.00 2.64 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 0.00 127 A 7.74 3.92 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 0.00 128 Q 7.70 3.17 0.00 1.34 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 129 G 8.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.91 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 0.00 131 M 8.13 4.00 0.00 2.50 2.36 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 2.75 2.89 0.00 132 N 8.53 4.29 0.00 2.92 2.93 0.00 0.00 6.86 6.30 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 0.00 133 K 8.05 3.86 0.00 1.92 1.75 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.38 7.81 134 A 7.88 3.84 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 0.00 135 L 8.14 4.10 0.00 1.87 1.81 0.99 0.71 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 0.00 136 E 8.72 4.01 0.00 2.10 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 2.34 2.55 0.00 137 L 8.26 3.94 0.00 1.85 1.99 1.03 1.15 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 0.00 138 F 8.34 4.14 0.00 3.13 3.19 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 0.00 139 R 8.45 3.53 0.00 1.95 1.85 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 140 K 8.18 3.84 0.00 1.83 2.01 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 141 D 8.07 4.35 0.00 2.91 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 0.00 142 I 7.63 3.53 1.31 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 0.81 -0.19 0.33 0.00 0.00 143 A 7.98 3.72 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 0.00 144 A 7.99 3.97 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 0.00 145 K 8.15 4.05 0.00 2.01 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.64 7.81 146 Y 8.24 4.18 0.00 3.20 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 0.00 147 K 8.13 3.98 0.00 1.91 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.97 4.02 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 149 L 7.85 4.31 0.00 1.72 1.66 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.89 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 0.00 151 Y 7.76 4.24 0.00 2.61 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 0.00 152 Q 8.40 4.47 0.00 2.24 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 153 G 8.23 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 0.00 0.00 0.00 0.00