NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.3108 8.2549 117.2796 54.8891 30.8126 175.0195 11 P 4.2363 0.0000 0.0000 61.2110 31.8628 174.6659 12 R 4.3580 8.0490 115.3151 55.5646 32.4159 174.2878 13 M 4.1018 8.4436 120.3978 54.0068 31.5134 175.8305 14 V 3.4447 8.3556 125.4442 63.2624 31.9116 175.0854 15 D 4.4855 8.7178 126.6954 54.6989 41.4338 175.7196 16 V 4.5099 8.2376 118.5670 61.3179 33.1086 177.6623 17 T 3.8630 8.3927 119.9133 66.6639 68.2483 175.0357 18 E 4.4102 8.0578 117.6841 56.1421 29.7779 175.9330 19 K 4.4630 7.6263 119.4119 54.1848 33.4372 174.8535 20 P 4.4747 0.0000 0.0000 62.8116 32.4552 175.3618 21 E 4.4747 8.6395 122.3399 55.7130 29.9864 175.2446 22 T 4.8383 8.5197 116.9970 59.2063 72.9389 173.0056 23 F 4.7385 8.9455 124.9513 58.7387 39.8983 174.3936 24 R 4.6295 8.8785 125.2438 54.7014 33.7661 174.7255 25 T 5.0051 8.0766 114.6558 60.9985 71.5077 172.2767 26 A 5.2485 8.7302 127.1424 51.0766 23.3890 175.3290 27 T 5.1535 9.5025 117.6513 61.8673 72.6079 173.1559 28 A 5.2976 9.0639 126.8110 50.4161 23.6176 173.9719 29 E 5.1131 9.1039 115.4613 55.6359 33.6176 174.0590 30 A 5.5797 8.3933 120.6617 51.1665 23.2377 175.1963 31 F 5.3842 8.7029 116.4285 55.7213 43.9676 174.1929 32 V 4.7675 8.6855 121.0291 61.2107 33.6142 174.2485 33 E 4.5799 9.1259 128.5211 56.0108 30.4972 175.9015 34 L 4.9005 8.6775 125.2695 53.5147 43.8354 176.6924 35 T 4.4230 8.1912 112.0892 60.1724 70.9726 175.3631 36 E 3.9213 8.6026 121.4584 59.2601 29.5576 178.3895 37 E 3.9303 8.1711 118.0338 59.4609 29.5514 179.0657 38 A 3.9946 7.8359 120.2410 54.9034 18.4034 179.3794 39 L 3.8821 8.1293 118.9755 58.3631 42.2040 179.2616 40 S 4.2164 8.2120 114.8243 61.6475 62.8008 176.4049 41 A 3.9684 7.8166 122.9475 55.4965 17.9247 179.7722 42 L 4.0060 7.9594 115.8875 57.8643 41.6810 179.2960 43 E 4.1667 7.9272 117.7963 58.6810 29.5590 178.6443 44 K 4.2239 7.7362 117.1747 55.1119 32.4621 177.2896 45 G 3.9159 8.1743 107.2203 44.3127 0.0000 175.7178 *49 K 4.1210 9.1117 125.3266 54.4354 34.2715 173.2468 50 G 3.8662 8.0770 102.9131 44.2093 0.0000 173.5639 51 D 4.6796 8.5126 119.7579 52.4763 41.7273 174.5442 52 P 4.2475 0.0000 0.0000 65.9560 31.5150 178.6052 53 L 4.0315 8.0560 117.2799 57.5847 41.3526 179.8399 54 V 3.5752 7.8192 117.8130 66.0033 31.6873 178.1594 55 V 3.5800 7.8013 117.8482 65.9338 31.3786 177.8424 56 A 4.0178 8.1532 120.6049 55.0402 17.7816 179.3309 57 Q 3.9116 7.9669 117.6518 59.4510 29.1657 178.6828 58 L 4.0062 7.7659 119.8953 57.6749 41.5697 179.2777 59 A 4.1404 8.2558 120.9471 54.9664 18.2497 179.9796 60 G 3.5184 8.1898 104.3917 47.9657 0.0000 176.0719 61 I 3.7295 7.2146 120.7809 64.1021 36.9857 178.1817 62 L 4.1136 8.0376 119.5577 57.7955 41.5420 179.4806 63 A 3.9932 8.4029 120.7936 55.0036 18.0300 179.3883 64 A 3.9481 8.0691 119.3087 55.4768 18.2366 180.0610 65 K 4.0178 7.6708 114.8767 58.5745 32.4340 178.7167 66 K 4.3873 7.6740 117.0176 56.3500 32.2293 178.1693 67 T 3.8225 7.5257 117.9838 67.0017 68.2726 176.0977 68 A 4.0585 7.9243 119.9385 54.7998 18.4678 178.4662 69 D 4.4104 7.9474 115.6561 56.3815 41.3700 177.4829 70 L 4.5926 7.6873 117.7582 54.6965 42.8662 176.1118 71 I 4.2170 7.6367 120.7489 59.2489 37.2433 174.5052 72 P 4.1217 0.0000 0.0000 65.6794 31.1840 177.5457 73 L 4.4040 7.6479 113.9950 54.5114 41.8201 176.3696 74 C 4.2581 7.7736 120.3287 59.2344 31.9968 172.8542 75 H 4.4066 8.6474 124.2282 54.8449 28.9695 173.4835 76 P 4.5066 0.0000 0.0000 62.2360 31.9383 175.6093 77 L 4.5749 7.9220 121.2478 53.7065 43.0239 173.0019 78 P 4.4561 0.0000 0.0000 62.5105 32.1279 175.6245 79 L 4.6414 8.3683 122.9181 54.1605 42.7146 176.5864 80 T 4.4875 8.6304 111.7679 61.6664 70.7249 174.1267 81 G 4.2962 7.6550 107.3897 45.5782 0.0000 172.8347 82 V 4.8851 8.3846 123.7361 61.3145 34.5812 173.4236 83 E 4.7639 9.3866 129.0358 54.3598 32.6120 174.5564 84 V 4.9077 8.4072 125.4161 61.1531 34.9979 174.2491 85 R 4.6171 9.1339 127.2606 54.4898 33.4235 173.9315 86 V 4.7222 8.5490 125.2578 61.3941 33.6911 174.0584 87 E 4.8178 9.1252 127.7784 54.3169 33.1484 174.9688 88 L 4.5893 8.4825 124.8170 54.2537 43.5468 176.4900 89 L 4.5388 8.8324 127.5959 52.5740 41.7010 177.1507 90 K 3.7626 8.7782 122.5072 59.4837 32.5671 179.1870 91 A 3.9861 8.1057 119.6100 55.3995 18.2702 178.3164 92 E 4.1029 8.1551 111.9314 56.4558 30.5617 176.3925 93 K 3.8547 7.9751 118.9979 56.3452 30.1723 173.8594 94 R 4.9766 7.7645 112.5780 55.5874 33.9010 175.1122 95 V 4.7157 8.7330 120.7945 61.4280 33.6830 174.2503 96 R 4.8938 9.0368 128.7014 54.6527 32.2294 174.4705 97 I 4.9537 8.4594 127.3043 59.5689 40.2360 174.5002 98 E 5.1359 9.1320 124.8539 54.5768 33.8655 174.5536 99 A 5.1653 9.0561 124.4110 50.5935 23.1043 174.9328 100 T 5.0504 9.0629 118.3584 61.7114 72.0423 173.3286 101 V 4.9115 8.8232 126.0061 61.0863 35.0239 174.3747 102 K 5.0376 8.6513 124.6273 55.3649 37.0571 174.9268 103 T 4.6061 7.9933 115.3901 62.3532 72.0597 171.4849 104 K 5.0435 8.6167 121.5111 55.6828 34.6575 174.9837 105 A 4.5308 8.7059 126.6049 51.6730 22.7587 175.7594 106 E 4.3341 8.8802 115.5686 57.1033 30.0878 176.1750 107 T 4.5843 7.2952 107.7504 59.4124 72.0018 173.4075 108 G 4.0239 8.1784 110.7869 44.5608 0.0000 173.6698 109 V 5.0758 7.6290 109.1807 59.9881 32.5399 178.5924 110 E 3.9402 8.2872 121.9379 59.8871 29.2370 178.6217 111 M 4.0534 7.9190 118.2153 58.3194 32.1141 178.5120 112 E 4.2216 8.3575 119.4846 58.7323 29.8181 179.1138 113 A 3.9636 7.9348 120.7106 55.4326 18.4914 179.5980 114 M 4.0091 8.2539 117.4950 58.9606 31.9834 179.2494 115 T 3.8863 8.3500 116.0496 66.3186 68.5694 176.7057 116 A 4.0729 8.0262 122.8309 55.4437 18.4134 179.5440 117 C 4.0506 8.0169 114.6737 62.7929 28.1239 176.1859 118 A 3.9660 8.0913 122.4130 55.2874 18.0117 179.9440 119 V 3.5326 8.0757 116.6455 65.8524 31.5715 178.1499 120 A 4.0912 8.1214 120.5990 54.9726 18.1989 179.4708 121 A 3.9713 8.1644 119.3432 55.3966 18.4148 179.8772 122 L 4.0348 8.2052 117.6257 58.2533 41.6382 179.9930 123 T 3.9449 8.0599 115.8934 66.3825 68.0439 177.0292 124 V 3.6071 7.9780 120.3013 66.1163 31.5813 177.4072 125 Y 4.0330 8.2150 119.2547 60.7899 38.4300 177.4646 126 D 4.2922 8.1691 117.8823 57.7480 41.4153 177.8694 127 M 4.2620 8.0233 117.0147 56.7439 32.5066 176.7817 128 L 4.6762 7.2449 117.0089 53.7989 43.5490 178.3455 129 K 4.0487 7.9714 117.3774 58.5038 32.8279 178.2098 130 A 4.0106 8.1233 122.1312 55.0063 18.1584 178.1355 131 A 4.4272 7.7988 115.5043 53.1716 19.9889 177.4360 132 S 4.6030 7.5885 111.3870 56.4452 63.4634 174.6881 133 K 4.0970 8.3758 123.4878 58.4983 32.3279 178.3305 134 G 3.9718 8.0085 105.7659 45.3198 0.0000 173.8582 135 L 4.0989 8.0046 120.0571 55.2519 42.4158 176.3834 136 V 4.3506 7.8665 119.0376 61.2676 34.3036 174.8564 137 I 4.7464 8.2783 128.7736 60.1768 36.3723 175.6918 138 S 4.3886 8.6870 122.4411 61.0805 63.3074 174.7717 139 Q 4.7610 8.0873 118.0372 53.9683 33.6353 174.1100 140 V 4.9779 8.2759 120.9844 61.8240 34.1901 174.0609 141 R 4.7862 8.9907 123.6436 54.7254 33.2128 173.9020 142 L 4.5080 8.5707 122.7875 55.2216 42.6079 176.1103 143 L 4.7487 9.2427 125.2655 56.5441 44.3511 175.7238 144 H 5.5128 8.1936 115.5155 55.7567 33.2859 172.6227 145 K 5.0245 8.2433 119.5673 56.2407 36.0497 174.1420 146 A 4.8305 8.8381 122.4652 51.3123 23.0403 176.7428 147 G 3.9251 8.7230 104.7180 46.4978 0.0000 174.3358 148 G 3.9547 8.5601 104.4928 44.5241 0.0000 174.4661 149 K 3.8149 8.5179 119.4990 59.5117 32.0085 178.1493 150 S 4.1355 8.0635 111.6760 59.4808 63.2207 175.9111 151 G 3.8289 7.6034 108.5012 44.8445 0.0000 172.2348 152 E 4.4450 8.6548 121.1911 56.1064 30.7895 177.4701 153 W 5.1484 9.2088 135.0000 55.7083 34.4542 173.6877 154 R 4.5341 7.2968 125.1889 53.8370 33.0766 174.5496 155 R 3.4686 7.8251 124.1240 56.4267 29.6563 176.1037 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 10 R 8.25 4.31 0.00 1.93 2.00 0.00 3.00 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 11 P 0.00 4.24 0.00 2.13 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 12 R 8.05 4.36 0.00 1.85 1.83 0.00 3.02 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 13 M 8.44 4.10 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.17 0.00 14 V 8.36 3.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 15 D 8.72 4.49 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.24 4.51 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 0.72 0.00 0.00 0.86 0.00 0.00 17 T 8.39 3.86 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 18 E 8.06 4.41 0.00 1.95 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 2.27 2.32 0.00 19 K 7.63 4.46 0.00 1.86 1.71 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.35 7.81 20 P 0.00 4.47 0.00 2.08 2.06 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 21 E 8.64 4.47 0.00 2.01 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 0.00 2.28 2.39 0.00 22 T 8.52 4.84 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 1.24 0.00 0.00 23 F 8.95 4.74 0.00 3.03 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 24 R 8.88 4.63 0.00 1.49 1.58 0.00 3.24 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 25 T 8.08 5.01 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 1.22 0.00 0.00 26 A 8.73 5.25 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 27 T 9.50 5.15 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 A 9.06 5.30 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 29 E 9.10 5.11 0.00 1.88 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 0.00 2.18 1.96 0.00 30 A 8.39 5.58 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.70 5.38 0.00 3.01 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 32 V 8.69 4.77 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 1.21 0.00 0.00 1.00 0.00 0.00 33 E 9.13 4.58 0.00 1.98 1.88 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 2.35 2.44 0.00 34 L 8.68 4.90 0.00 1.63 1.60 0.97 0.86 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 35 T 8.19 4.42 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 36 E 8.60 3.92 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 2.38 2.46 0.00 37 E 8.17 3.93 0.00 2.09 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 2.44 0.00 38 A 7.84 3.99 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 39 L 8.13 3.88 0.00 1.85 1.86 0.93 0.88 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 40 S 8.21 4.22 0.00 4.08 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 41 A 7.82 3.97 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 42 L 7.96 4.01 0.00 1.78 1.76 0.94 1.27 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 43 E 7.93 4.17 0.00 2.12 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 2.35 2.66 0.00 44 K 7.74 4.22 0.00 1.91 1.86 0.00 1.51 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 45 G 8.17 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 *49 K 9.11 4.12 0.00 1.74 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 50 G 8.08 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 51 D 8.51 4.68 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.25 0.00 2.19 2.10 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 53 L 8.06 4.03 0.00 1.81 1.72 0.93 0.65 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 54 V 7.82 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 1.03 0.00 0.00 0.98 0.00 0.00 55 V 7.80 3.58 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 0.96 0.00 0.00 0.98 0.00 0.00 56 A 8.15 4.02 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 57 Q 7.97 3.91 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 58 L 7.77 4.01 0.00 1.82 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.26 4.14 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 60 G 8.19 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 61 I 7.21 3.73 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.91 0.00 0.00 62 L 8.04 4.11 0.00 1.86 1.72 0.92 0.64 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 63 A 8.40 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.95 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 65 K 7.67 4.02 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 66 K 7.67 4.39 0.00 1.83 1.81 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.63 7.81 67 T 7.53 3.82 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 1.23 0.00 0.00 68 A 7.92 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.95 4.41 0.00 2.71 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 70 L 7.69 4.59 0.00 1.75 1.68 0.91 0.80 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 71 I 7.64 4.22 1.85 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 1.46 1.11 0.89 0.00 0.00 72 P 0.00 4.12 0.00 2.01 2.12 0.00 3.64 0.00 0.00 3.89 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 73 L 7.65 4.40 0.00 1.59 1.63 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.77 4.26 0.00 2.93 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 75 H 8.65 4.41 0.00 3.13 3.23 0.00 5.95 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 76 P 0.00 4.51 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 77 L 7.92 4.57 0.00 1.67 1.58 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.46 0.00 2.21 2.10 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 79 L 8.37 4.64 0.00 1.55 1.62 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.63 4.49 4.28 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 1.24 0.00 0.00 81 G 7.65 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 82 V 8.38 4.89 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 0.78 0.00 0.00 0.93 0.00 0.00 83 E 9.39 4.76 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 84 V 8.41 4.91 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 0.87 0.00 0.00 0.92 0.00 0.00 85 R 9.13 4.62 0.00 1.85 1.68 0.00 3.07 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 86 V 8.55 4.72 2.19 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 0.88 0.00 0.00 0.92 0.00 0.00 87 E 9.13 4.82 0.00 1.92 1.80 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 2.21 2.21 0.00 88 L 8.48 4.59 0.00 1.67 1.58 0.93 1.03 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 89 L 8.83 4.54 0.00 1.78 1.61 1.10 0.82 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 90 K 8.78 3.76 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.48 7.81 91 A 8.11 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.16 4.10 0.00 1.99 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 2.30 2.33 0.00 93 K 7.98 3.85 0.00 1.95 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.36 7.81 94 R 7.76 4.98 0.00 2.18 2.11 0.00 2.96 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 95 V 8.73 4.72 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 1.00 0.00 0.00 0.97 0.00 0.00 96 R 9.04 4.89 0.00 2.05 1.78 0.00 3.14 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.17 0.00 97 I 8.46 4.95 1.75 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 1.20 0.49 0.91 0.00 0.00 98 E 9.13 5.14 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 99 A 9.06 5.17 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 0.00 100 T 9.06 5.05 4.26 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 1.24 0.00 0.00 101 V 8.82 4.91 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 1.02 0.00 0.00 0.92 0.00 0.00 102 K 8.65 5.04 0.00 1.73 1.66 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 103 T 7.99 4.61 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 1.14 0.00 0.00 104 K 8.62 5.04 0.00 1.79 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 105 A 8.71 4.53 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 0.00 106 E 8.88 4.33 0.00 1.89 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 2.47 2.61 0.00 107 T 7.30 4.58 4.13 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 0.89 0.00 0.00 108 G 8.18 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 0.00 0.00 0.00 109 V 7.63 5.08 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 1.11 0.00 0.00 0.88 0.00 0.00 110 E 8.29 3.94 0.00 1.97 1.90 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 2.24 2.38 0.00 111 M 7.92 4.05 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 112 E 8.36 4.22 0.00 2.20 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 2.38 2.43 0.00 113 A 7.93 3.96 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 0.00 114 M 8.25 4.01 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.81 0.00 115 T 8.35 3.89 4.25 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 1.20 0.00 0.00 116 A 8.03 4.07 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 0.00 117 C 8.02 4.05 0.00 3.14 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 0.00 118 A 8.09 3.97 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 0.00 119 V 8.08 3.53 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 1.01 0.00 0.00 0.96 0.00 0.00 120 A 8.12 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.16 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.21 4.03 0.00 1.89 1.78 0.92 0.78 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 0.00 123 T 8.06 3.94 4.42 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 1.25 0.00 0.00 124 V 7.98 3.61 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 1.03 0.00 0.00 1.02 0.00 0.00 125 Y 8.21 4.03 0.00 3.15 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 0.00 126 D 8.17 4.29 0.00 2.82 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 0.00 127 M 8.02 4.26 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.98 0.00 128 L 7.24 4.68 0.00 1.57 1.56 0.92 0.40 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 0.00 129 K 7.97 4.05 0.00 1.38 0.83 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.17 7.81 130 A 8.12 4.01 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 0.00 131 A 7.80 4.43 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 0.00 132 S 7.59 4.60 0.00 3.84 3.75 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 0.00 133 K 8.38 4.10 0.00 1.78 1.95 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 134 G 8.01 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 0.00 135 L 8.00 4.10 0.00 2.00 1.82 0.93 0.95 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 0.00 136 V 7.87 4.35 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 1.00 0.00 0.00 1.01 0.00 0.00 137 I 8.28 4.75 1.84 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 1.43 0.66 0.98 0.00 0.00 138 S 8.69 4.39 0.00 3.85 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.09 4.76 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 140 V 8.28 4.98 2.09 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 0.79 0.00 0.00 0.94 0.00 0.00 141 R 8.99 4.79 0.00 1.98 2.04 0.00 2.94 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 142 L 8.57 4.51 0.00 1.62 1.60 0.98 0.55 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 0.00 143 L 9.24 4.75 0.00 1.77 1.73 0.95 1.04 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 0.00 144 H 8.19 5.51 0.00 3.19 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.24 5.02 0.00 1.99 1.86 0.00 1.22 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.56 7.81 146 A 8.84 4.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 148 G 8.56 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 0.00 149 K 8.52 3.81 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.51 7.81 150 S 8.06 4.14 0.00 4.04 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 0.00 151 G 7.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.65 4.45 0.00 2.06 1.91 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 2.37 2.54 0.00 153 W 9.21 5.15 0.00 3.37 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 0.00 154 R 7.30 4.53 0.00 1.66 1.42 0.00 3.23 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.60 0.00 155 R 7.83 3.47 0.00 1.95 1.69 0.00 3.68 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.