NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8037 8.3544 109.7192 44.9588 0.0000 173.2519 4 D 4.0953 8.6391 124.0488 53.6098 41.4099 175.9223 5 K 3.9860 9.5795 128.6986 59.3704 33.7317 178.4361 6 K 4.0308 8.4237 118.4505 58.7881 31.9672 179.5625 7 V 3.6882 7.9850 118.2881 66.2318 31.5333 177.8922 8 I 3.8781 7.5922 119.0340 64.5517 36.8250 178.5042 9 Q 3.9565 7.6889 118.3290 59.2029 28.4513 178.4089 10 H 4.2437 8.2631 117.2628 58.7553 28.7533 177.8009 11 L 4.0031 8.4599 121.1475 58.0894 41.4653 179.4832 12 N 4.6085 8.4158 116.1272 55.6370 38.3386 177.5658 13 K 3.9084 7.7716 121.0590 59.5824 32.4456 178.6945 14 I 3.7030 8.0155 120.4532 64.3469 36.9723 178.0640 15 L 3.9938 8.5077 121.4722 58.2347 41.9701 179.0463 16 G 3.7684 8.1890 105.7594 48.2711 0.0000 175.2539 17 N 4.4076 8.3406 118.5555 55.9034 38.4745 177.5226 18 E 3.9378 8.1103 120.1327 59.3346 29.3103 179.0247 19 L 3.9436 7.9617 119.0462 58.0275 41.6362 179.7454 20 I 3.6323 7.5515 118.7526 64.2550 37.0242 178.4197 21 A 3.2917 7.6044 120.9682 55.0375 18.1890 179.2571 22 I 3.5386 7.8790 118.5345 65.2067 37.2276 178.1502 23 N 4.3645 7.8849 116.3122 56.3410 38.4530 177.4472 24 Q 3.8777 8.0876 121.0714 59.4976 29.0844 177.9794 25 Y 4.7452 8.2202 119.5537 60.4146 37.8945 178.0690 26 F 3.9161 8.5100 121.8824 60.9693 39.4638 177.0203 27 L 3.9589 8.1573 119.9571 58.5566 41.8892 178.4053 28 H 3.7216 8.0908 116.1374 58.8834 28.5783 177.2276 29 S 4.3114 8.3607 114.9943 62.0436 62.1720 176.7847 30 R 3.9643 7.8594 120.1040 59.0514 29.7026 179.2377 31 M 3.3887 7.8678 118.8951 57.9819 31.8259 178.6734 32 W 4.4691 7.8818 119.3327 59.8804 29.3302 178.3236 33 N 4.3379 8.6397 116.8408 56.4533 37.7912 176.8185 34 D 4.3727 8.0477 118.4661 56.9757 41.3029 177.4939 35 W 4.9337 7.7969 116.5255 56.4554 29.0654 177.1054 36 G 3.9746 8.1830 107.5044 46.0355 0.0000 174.5961 37 L 4.8591 8.0847 122.2381 53.5187 40.3458 177.7168 38 K 4.1070 8.2987 120.4345 58.8163 32.5930 179.2423 39 R 3.9292 7.6876 119.5527 59.1817 29.9257 178.4286 40 L 3.8265 7.7058 118.5923 57.2965 41.5262 179.2055 41 G 3.8864 8.2230 105.6308 48.0220 0.0000 175.5580 42 A 3.9077 8.0656 123.5102 54.8982 18.3988 179.0387 43 H 3.9602 8.0696 116.6318 59.6039 29.8015 177.1071 44 E 3.9925 8.5428 120.8439 59.0393 29.4124 178.1122 45 Y 4.1002 7.9156 120.0358 60.8789 38.7534 177.3702 46 H 4.0890 8.1834 117.2286 58.7064 28.3066 177.4133 47 E 3.7971 8.2193 120.6251 59.4450 29.1254 179.4763 48 S 4.2821 8.0030 112.8476 61.6748 62.7050 175.9713 49 I 3.5922 7.5755 122.5074 64.7493 36.8660 177.9849 50 D 4.2859 8.3233 119.6392 57.5285 40.6714 178.7932 51 E 4.1254 7.9247 118.1411 59.2940 29.4143 179.2530 52 M 4.1082 7.7605 118.9709 58.1583 32.1221 178.8352 53 K 4.0559 7.9808 118.4294 59.5073 32.0716 179.1777 54 H 4.3730 8.0809 116.5244 58.6849 28.6188 177.5538 55 A 4.0411 8.1239 122.6692 55.1431 18.1592 179.2603 56 D 4.2404 8.1508 116.6244 57.2244 41.4505 178.5389 57 K 3.9250 7.9472 118.6901 59.4916 32.1416 179.0644 58 L 4.0020 8.2423 119.4643 58.0928 41.5966 179.6256 59 I 3.7288 7.9476 119.5943 64.6692 37.0309 178.3851 60 E 4.0293 8.2716 119.2775 59.2116 29.1523 179.4572 61 R 3.9991 7.9623 118.4514 59.5434 30.2382 178.5333 62 I 3.7149 7.8279 119.6073 64.5297 37.0930 178.4476 63 L 4.0357 7.9982 119.7578 57.7792 41.2207 179.3860 64 F 4.3777 8.2214 119.8017 60.9817 39.4422 176.3392 65 L 3.9081 7.9498 115.9197 54.3149 41.5230 177.0138 66 E 3.7235 7.7563 117.5693 56.9646 27.2851 174.7468 67 G 3.9513 7.7514 109.0918 44.3553 0.0000 173.0438 68 L 4.6629 8.0465 118.7050 52.0326 43.4133 175.0299 69 P 4.4148 0.0000 0.0000 62.3429 31.8702 175.7496 70 N 4.6712 9.4328 122.5464 52.4314 38.2741 174.0254 71 L 4.5563 8.2339 123.7594 54.4555 42.4023 177.5017 72 Q 4.0698 8.1138 121.1840 57.6667 29.3645 175.3932 73 D 4.6046 8.0942 117.8424 52.7395 41.2223 175.2804 74 L 4.5592 8.3359 126.8595 52.8955 43.6853 176.6592 75 G 3.8439 8.2908 117.2405 44.7503 0.0000 171.3160 76 K 4.1449 8.4288 121.7550 55.4942 32.5743 177.6882 77 L 4.0420 8.4268 126.9513 54.7833 42.0980 177.1703 78 L 4.3729 8.8403 124.4566 53.3783 40.8023 175.4353 79 I 4.2585 7.9706 124.2376 59.2073 37.5297 176.5325 80 G 3.9662 8.5948 115.2247 45.3195 0.0000 171.8657 81 E 4.8395 8.8977 115.7903 55.1606 31.5014 176.0100 82 N 4.9964 7.8290 116.0706 50.5711 41.6682 174.8529 83 T 4.5356 8.8984 117.9063 67.5864 68.6404 176.3255 84 Q 4.0477 8.3808 120.7664 59.1065 29.0479 177.9040 85 E 4.0688 8.4064 119.2178 59.4847 29.5703 179.1229 86 M 3.9450 8.2992 118.9774 58.3150 32.1276 178.7626 87 L 4.1800 8.1331 119.1854 57.8490 41.6793 179.3773 88 Q 4.0425 8.1240 119.1930 59.1220 28.9118 177.8584 89 C 4.2043 8.4505 118.1998 62.9903 28.1089 175.8309 90 D 4.6379 8.2784 120.4296 57.2999 40.4118 178.5947 91 L 4.0262 7.9051 120.7770 57.9306 42.0677 178.8213 92 N 4.3500 8.5066 116.8533 56.1054 38.5061 176.8578 93 L 3.9816 8.1572 121.9096 58.6192 42.3052 179.0706 94 E 4.1334 8.7175 118.3013 58.9152 29.2260 179.4402 95 L 4.0121 7.9506 119.5611 57.5796 41.8657 179.0947 96 K 3.8862 8.1245 119.3891 59.6186 32.1236 178.6365 97 A 4.0475 8.2633 120.9760 55.3641 18.2465 179.6270 98 T 3.8383 7.8546 113.9400 66.6120 68.4366 176.6101 99 K 3.9125 7.8464 121.1171 59.7912 32.2112 178.5061 100 D 4.4003 7.9622 118.6017 57.2580 40.6909 178.7577 101 L 3.9651 8.0238 119.4003 57.9621 41.7120 179.6154 102 R 3.9314 8.0842 117.8177 59.5722 30.0692 179.0439 103 E 3.9620 8.0510 117.6475 59.1119 29.4545 179.0909 104 A 3.5853 8.1664 121.1438 55.1690 18.3543 179.5229 105 I 3.6102 8.0773 118.5349 64.7335 37.2322 178.4941 106 V 3.5666 7.7656 118.7942 66.5969 31.2053 177.6015 107 H 4.1744 8.2903 117.5916 59.2661 29.6549 176.8779 108 C 3.9429 8.0769 118.5848 62.8264 28.0066 175.5882 109 E 3.8823 8.3339 120.9361 59.4128 28.9630 178.5077 110 Q 3.9692 7.6577 118.0097 58.9931 29.1017 178.1503 111 V 3.9206 7.1213 110.1671 60.4752 32.4505 175.5259 112 H 2.9648 7.5245 113.6783 57.1795 26.8311 176.4964 113 D 4.5873 7.5189 118.5902 53.2015 38.4009 174.6968 114 Y 4.2953 7.2721 121.1613 60.4701 38.3851 177.9010 115 V 3.6596 7.8325 119.1527 66.0596 31.7627 178.1130 116 S 4.1544 8.2423 114.5524 61.4503 62.6351 176.6794 117 R 3.8914 8.1925 121.5479 59.3311 29.8870 178.0007 118 D 4.3166 8.3963 118.0929 57.2433 41.2645 177.8947 119 L 3.9251 8.0650 120.7785 58.4118 42.0401 179.0829 120 L 4.1034 8.2589 121.2824 58.1672 41.4901 180.2409 121 K 4.0035 8.6812 124.1977 59.7727 31.4652 181.6089 122 D 4.5565 8.0813 119.9219 57.3509 40.7977 178.9050 123 I 3.4919 7.6194 120.1713 64.1485 37.0222 177.9659 124 L 3.9346 8.0915 121.3659 58.4145 41.8792 178.5969 125 E 3.9179 8.2955 118.9891 59.4986 29.4994 178.8146 126 S 4.1713 7.8636 112.9973 61.3820 62.5111 175.9872 127 E 4.1520 8.4199 121.3969 59.3992 29.0892 179.1284 128 E 4.1368 8.5393 118.9448 59.4751 29.4847 179.2660 129 E 4.0513 8.3293 118.7599 59.4656 29.4711 178.8587 130 H 4.3740 8.3639 118.4807 59.3500 29.8671 176.9759 131 I 3.6607 8.3835 121.9742 64.7038 36.9995 177.4500 132 D 4.3764 8.5173 118.7592 57.8627 40.9738 178.3150 133 Y 4.0585 8.1453 119.4952 60.7953 38.8842 177.7436 134 L 3.5529 8.0650 119.7387 57.7207 41.7350 179.0587 135 E 3.8735 8.3246 118.5262 60.2004 29.5249 179.9965 136 T 3.7997 7.7417 115.1860 66.5463 68.3650 176.7577 137 Q 3.6964 7.5887 119.8157 58.8788 28.8761 178.4292 138 L 3.8403 7.7355 120.0752 58.1216 41.6297 180.1890 139 G 3.5181 8.1436 105.2367 47.6069 0.0000 175.5340 140 L 3.9560 8.1891 121.8713 57.6980 41.6607 179.6729 141 I 3.4859 7.6291 119.7232 64.5210 36.8307 178.2038 142 Q 3.9714 7.4588 116.7186 59.1142 28.7161 179.0824 143 K 4.2576 8.0797 116.9259 57.4756 32.4733 177.8688 144 V 4.2617 8.2451 110.4373 60.0394 33.8607 175.8849 145 G 4.0144 8.3785 109.3324 45.8069 0.0000 174.0302 146 L 3.9414 8.7301 124.1809 58.5800 41.9102 179.4819 147 E 4.0454 8.1076 117.5281 59.2302 29.6104 178.6161 148 N 4.2885 8.1479 116.0809 56.4781 38.4480 176.4149 149 Y 4.0356 7.9099 119.3981 60.9568 39.1822 178.1049 150 L 4.0116 8.1086 119.6423 57.5069 41.6115 179.3652 151 Q 3.8498 7.8646 119.5800 59.3064 28.9713 178.2107 152 S 4.2801 7.8614 113.4573 60.2150 62.7666 174.5208 153 H 4.7006 7.4217 118.5488 55.7449 29.6383 176.0043 154 M 4.2190 8.1739 121.4690 57.5067 32.0447 176.3669 155 H 5.1847 7.5919 113.1677 53.8950 31.2850 174.5954 156 E 4.1559 8.5844 119.8492 56.8254 29.4096 176.8899 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.35 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 0.00 0.00 0.00 4 D 8.64 4.10 0.00 2.80 2.59 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 0.00 0.00 0.00 0.00 5 K 9.58 3.99 0.00 1.81 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 6 K 8.42 4.03 0.00 2.13 1.64 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 7 V 7.98 3.69 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 1.02 0.00 0.00 0.98 0.00 0.00 8 I 7.59 3.88 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.90 0.00 0.00 9 Q 7.69 3.96 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 10 H 8.26 4.24 0.00 3.47 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.46 4.00 0.00 1.78 1.74 0.95 0.73 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 12 N 8.42 4.61 0.00 2.96 2.86 0.00 0.00 6.73 8.06 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 13 K 7.77 3.91 0.00 1.97 1.92 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.02 3.70 1.99 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 1.77 0.78 0.92 0.00 0.00 15 L 8.51 3.99 0.00 1.79 1.80 0.92 1.07 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 16 G 8.19 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 17 N 8.34 4.41 0.00 2.92 2.89 0.00 0.00 7.05 7.19 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 18 E 8.11 3.94 0.00 2.13 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 2.53 2.53 0.00 19 L 7.96 3.94 0.00 1.82 1.69 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.55 3.63 1.98 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 1.42 0.65 0.88 0.00 0.00 21 A 7.60 3.29 1.03 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 22 I 7.88 3.54 1.98 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 1.49 1.02 0.86 0.00 0.00 23 N 7.88 4.36 0.00 2.75 2.83 0.00 0.00 6.78 7.31 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 24 Q 8.09 3.88 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 25 Y 8.22 4.75 0.00 3.05 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 26 F 8.51 3.92 0.00 3.33 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 27 L 8.16 3.96 0.00 1.85 1.81 0.87 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 28 H 8.09 3.72 0.00 3.40 2.70 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.36 4.31 0.00 3.97 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 30 R 7.86 3.96 0.00 1.99 1.88 0.00 2.98 0.00 0.00 2.68 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 31 M 7.87 3.39 0.00 0.82 1.58 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 32 W 7.88 4.47 0.00 3.69 3.30 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 33 N 8.64 4.34 0.00 2.79 2.83 0.00 0.00 6.64 7.79 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 34 D 8.05 4.37 0.00 2.52 2.55 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 35 W 7.80 4.93 0.00 3.59 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 36 G 8.18 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 37 L 8.08 4.86 0.00 2.10 1.60 1.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.30 4.11 0.00 1.98 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 39 R 7.69 3.93 0.00 1.98 1.96 0.00 3.19 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 40 L 7.71 3.83 0.00 1.11 0.13 0.37 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.22 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 0.00 0.00 0.00 42 A 8.07 3.91 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 43 H 8.07 3.96 0.00 3.26 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.54 3.99 0.00 2.52 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 0.00 2.80 2.72 0.00 45 Y 7.92 4.10 0.00 3.07 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 H 8.18 4.09 0.00 3.30 3.23 0.00 5.88 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 47 E 8.22 3.80 0.00 2.01 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 48 S 8.00 4.28 0.00 4.10 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 49 I 7.58 3.59 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.71 0.84 0.00 0.00 50 D 8.32 4.29 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.92 4.13 0.00 2.14 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 0.00 2.68 2.65 0.00 52 M 7.76 4.11 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 53 K 7.98 4.06 0.00 1.97 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.61 7.81 54 H 8.08 4.37 0.00 3.39 3.32 0.00 5.64 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 55 A 8.12 4.04 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 56 D 8.15 4.24 0.00 2.90 2.82 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 57 K 7.95 3.93 0.00 2.03 1.86 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.65 7.81 58 L 8.24 4.00 0.00 1.81 1.74 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.95 3.73 2.01 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 1.53 0.67 0.92 0.00 0.00 60 E 8.27 4.03 0.00 2.16 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 2.34 2.45 0.00 61 R 7.96 4.00 0.00 2.01 2.14 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.83 3.71 2.02 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 0.74 0.94 0.00 0.00 63 L 8.00 4.04 0.00 2.10 1.78 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.22 4.38 0.00 2.95 3.30 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 65 L 7.95 3.91 0.00 1.74 1.60 0.95 1.17 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 66 E 7.76 3.72 0.00 2.05 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 2.17 2.18 0.00 67 G 7.75 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 0.00 0.00 0.00 68 L 8.05 4.66 0.00 1.60 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.04 1.98 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 9.43 4.67 0.00 2.58 2.84 0.00 0.00 7.12 7.65 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 71 L 8.23 4.56 0.00 1.62 1.64 0.91 0.95 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 72 Q 8.11 4.07 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.09 4.60 0.00 2.69 2.59 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 0.00 0.00 0.00 0.00 74 L 8.34 4.56 0.00 1.52 1.52 0.88 1.07 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 75 G 8.29 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 0.00 0.00 0.00 76 K 8.43 4.14 0.00 1.71 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.43 4.04 0.00 1.63 1.56 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.84 4.37 0.00 1.75 1.68 1.03 0.93 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 79 I 7.97 4.26 1.89 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 1.34 0.80 0.91 0.00 0.00 80 G 8.59 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 81 E 8.90 4.84 0.00 2.13 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 2.30 2.26 0.00 82 N 7.83 5.00 0.00 2.89 2.79 0.00 0.00 6.18 7.22 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 83 T 8.90 4.54 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 1.52 0.00 0.00 84 Q 8.38 4.05 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 85 E 8.41 4.07 0.00 2.22 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 2.42 2.42 0.00 86 M 8.30 3.94 0.00 1.44 2.21 0.00 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.00 0.00 87 L 8.13 4.18 0.00 1.77 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.12 4.04 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.45 4.20 0.00 3.31 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 90 D 8.28 4.64 0.00 2.98 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 91 L 7.91 4.03 0.00 1.92 1.85 0.93 0.52 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 92 N 8.51 4.35 0.00 2.95 2.88 0.00 0.00 6.58 7.27 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 93 L 8.16 3.98 0.00 1.96 2.04 0.93 1.01 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 94 E 8.72 4.13 0.00 2.06 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 2.68 2.56 0.00 95 L 7.95 4.01 0.00 1.85 1.73 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.12 3.89 0.00 1.90 2.10 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 97 A 8.26 4.05 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 98 T 7.85 3.84 4.60 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 1.23 0.00 0.00 99 K 7.85 3.91 0.00 1.80 2.01 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 1.54 1.50 7.81 100 D 7.96 4.40 0.00 2.91 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 0.00 101 L 8.02 3.97 0.00 2.07 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.08 3.93 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 103 E 8.05 3.96 0.00 2.10 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 2.33 0.00 104 A 8.17 3.59 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 0.00 105 I 8.08 3.61 2.03 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 0.85 0.93 0.00 0.00 106 V 7.77 3.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 107 H 8.29 4.17 0.00 3.30 3.38 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.08 3.94 0.00 3.17 3.10 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 0.00 109 E 8.33 3.88 0.00 2.12 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 0.00 2.37 2.45 0.00 110 Q 7.66 3.97 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 111 V 7.12 3.92 1.93 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 0.63 0.00 0.00 0.85 0.00 0.00 112 H 7.52 2.96 0.00 3.15 3.12 0.00 5.65 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.52 4.59 0.00 2.64 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 0.00 0.00 0.00 0.00 114 Y 7.27 4.30 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.83 3.66 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 1.10 0.00 0.00 0.99 0.00 0.00 116 S 8.24 4.15 0.00 4.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.19 3.89 0.00 1.92 2.17 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.40 4.32 0.00 3.08 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 0.00 119 L 8.07 3.93 0.00 1.93 1.82 0.94 0.53 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 0.00 120 L 8.26 4.10 0.00 1.89 1.70 0.92 1.06 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 0.00 121 K 8.68 4.00 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 122 D 8.08 4.56 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 0.00 123 I 7.62 3.49 1.98 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 1.17 1.07 0.77 0.00 0.00 124 L 8.09 3.93 0.00 1.85 1.91 0.94 1.18 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 0.00 125 E 8.30 3.92 0.00 2.09 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 2.33 2.35 0.00 126 S 7.86 4.17 0.00 3.95 4.16 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 0.00 0.00 0.00 0.00 127 E 8.42 4.15 0.00 2.10 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 2.63 2.55 0.00 128 E 8.54 4.14 0.00 2.21 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 2.36 2.52 0.00 129 E 8.33 4.05 0.00 2.28 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 2.37 2.35 0.00 130 H 8.36 4.37 0.00 3.28 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.38 3.66 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 1.44 0.72 0.93 0.00 0.00 132 D 8.52 4.38 0.00 2.80 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.15 4.06 0.00 3.19 3.24 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 0.00 134 L 8.06 3.55 0.00 1.84 1.62 0.99 0.64 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 0.00 135 E 8.32 3.87 0.00 1.96 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 2.31 2.37 0.00 136 T 7.74 3.80 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 1.19 0.00 0.00 137 Q 7.59 3.70 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 138 L 7.74 3.84 0.00 1.91 1.65 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.14 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 0.00 140 L 8.19 3.96 0.00 1.67 1.83 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.63 3.49 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.29 0.81 0.00 0.00 142 Q 7.46 3.97 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 143 K 8.08 4.26 0.00 1.70 1.85 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 144 V 8.25 4.26 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 0.72 0.00 0.00 1.14 0.00 0.00 145 G 8.38 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 0.00 0.00 0.00 146 L 8.73 3.94 0.00 1.76 1.72 0.98 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 0.00 147 E 8.11 4.05 0.00 2.06 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 2.40 2.40 0.00 148 N 8.15 4.29 0.00 3.09 2.90 0.00 0.00 6.74 7.48 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 0.00 149 Y 7.91 4.04 0.00 2.96 3.20 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 0.00 150 L 8.11 4.01 0.00 1.77 1.71 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.86 3.85 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 152 S 7.86 4.28 0.00 3.64 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 0.00 153 H 7.42 4.70 0.00 2.93 2.97 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 0.00 154 M 8.17 4.22 0.00 1.90 1.94 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 2.72 2.43 0.00 155 H 7.59 5.18 0.00 3.08 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.58 4.16 0.00 1.95 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 0.00 2.30 2.29 0.00