NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3761 8.4045 120.3505 55.0214 33.4075 175.8218 2 Q 4.2142 8.5139 126.6090 55.3817 29.4973 169.9451 3 A 5.3727 9.2979 121.9572 50.6196 23.0894 175.3472 4 I 4.7749 8.5382 119.6525 59.4443 41.4107 174.3783 5 K 4.9987 9.7073 128.9917 55.2866 33.7328 174.4774 6 C 5.2206 9.6011 128.3624 57.5210 34.4936 172.4252 7 V 4.9256 8.2327 125.5077 61.1225 33.8663 174.0056 8 V 4.8190 8.7387 127.8534 61.5213 33.3722 174.9548 9 V 4.7618 9.3292 120.1648 57.8299 35.9820 174.9845 10 G 3.4742 6.5939 108.2916 43.4763 0.0000 172.1273 11 D 4.8424 8.1990 119.8502 53.8837 41.4037 176.7626 12 G 3.6748 8.7750 110.1226 47.4128 0.0000 173.1978 13 A 3.7908 8.7622 123.8546 52.9960 16.0489 179.0345 14 V 3.7929 7.4732 112.3027 63.6778 31.9207 177.3456 15 G 4.2652 8.3431 109.4786 45.6531 0.0000 176.0279 16 K 3.9438 8.4161 121.2779 59.4885 31.9656 179.2294 17 T 4.0829 7.6707 116.7468 66.3722 68.4324 176.4672 18 C 3.7916 7.9425 118.1464 62.5195 28.1034 175.7149 19 L 4.0109 8.1726 122.1006 58.2660 41.7068 179.2038 20 L 3.9629 7.7109 118.2856 57.8467 41.5524 179.5966 21 I 3.3302 7.6695 120.0035 64.1663 36.9788 178.3936 22 S 4.6595 8.1753 115.6763 60.9991 61.9632 175.7157 23 Y 4.0464 7.5826 121.1177 60.8797 38.6523 177.4746 24 T 3.7098 7.6751 109.6466 63.6279 69.2038 175.8278 25 T 4.2818 7.6805 109.6348 60.2377 69.9503 174.4893 26 N 4.4797 8.1537 116.5340 52.9506 37.3185 173.3917 27 A 4.7159 7.6702 121.1977 50.0537 21.4785 175.8232 28 F 4.6702 8.7525 124.7919 56.1197 40.0801 173.7263 29 P 4.2228 0.0000 0.0000 63.0354 31.4223 176.2714 30 G 4.0897 8.5551 108.4130 45.2302 0.0000 171.9048 31 E 4.6754 7.7136 118.5951 55.0010 32.8531 174.9804 *32 Y 4.1944 8.4036 120.1439 57.6432 38.4744 175.0106 33 I 4.4087 7.5615 119.8760 59.2773 34.7961 176.3335 *38 D 4.3981 8.4888 119.3172 55.3479 42.1633 172.4620 39 N 4.6996 7.8590 120.1237 50.9319 39.7008 172.9355 40 Y 4.7076 8.6668 118.1547 56.3152 42.2612 174.3851 41 S 5.2563 8.6539 115.8236 56.8738 65.6352 173.5878 42 A 4.8166 9.2556 124.8799 50.1648 22.8058 174.4192 43 N 5.4745 8.6029 115.3628 51.4888 42.1942 174.4015 44 V 4.5128 8.6667 121.4491 61.2063 35.4893 173.9175 45 M 4.6791 8.7134 127.0420 55.0136 33.2170 175.4513 46 V 4.1282 9.2655 129.0133 62.2820 33.2806 175.7028 47 D 4.5681 9.7605 129.1666 54.3627 36.8550 171.1696 48 G 4.0075 8.2931 104.1163 46.1431 0.0000 173.0334 49 K 4.7510 7.8974 119.5095 53.4142 35.0812 173.9401 50 P 4.9686 0.0000 0.0000 62.7340 32.4155 175.8088 51 V 4.5371 8.9480 122.1124 61.0558 35.5106 173.6312 52 N 5.0039 8.8634 125.4448 52.9258 40.6176 173.3203 53 L 5.0573 9.2568 128.6030 53.3801 44.7242 174.9715 54 G 4.4585 9.4101 115.1283 44.8979 0.0000 171.8952 55 L 5.5016 8.7845 125.6634 52.8012 44.8932 175.4226 56 W 4.9254 9.4242 124.5076 54.8664 31.6645 174.6611 57 D 5.2515 9.1046 125.4649 53.7629 42.3821 175.1444 58 T 4.8579 8.1931 114.2925 59.7880 72.8244 172.4870 59 A 4.4187 8.4654 125.0887 50.9744 19.6717 177.4631 60 G 4.4270 8.5634 110.6608 45.0455 0.0000 173.7775 61 Q 4.4500 8.0636 121.8618 55.6519 29.9701 177.3446 62 E 4.6017 8.9705 118.0482 59.2685 29.8509 180.8908 63 D 4.3996 8.2037 116.0233 55.6909 40.0889 179.4478 64 Y 4.6768 8.1083 113.9453 58.5002 38.3543 177.1918 65 D 4.4450 8.2930 123.5599 57.6365 40.5696 178.8029 66 R 4.1036 7.8627 116.6230 58.3114 30.7753 178.2305 67 L 4.2373 7.8360 118.3920 56.9524 41.9651 178.6646 68 R 3.8931 8.3876 119.3357 59.2604 30.0489 176.7387 69 P 2.9700 0.0000 0.0000 64.0354 31.0500 178.1060 70 L 4.0693 7.3683 116.9044 56.9732 41.5432 178.5137 71 S 4.3419 7.6279 113.6850 59.9482 63.4376 175.4575 72 Y 4.6014 7.7702 120.3540 59.3922 37.8177 174.3109 73 P 4.4045 0.0000 0.0000 64.2706 31.8753 175.8641 74 Q 3.5757 8.7810 118.4857 56.8360 26.3182 173.7340 75 T 3.8677 7.5512 115.2955 63.6982 68.7842 174.3291 76 D 4.7926 8.5526 126.0551 55.9230 42.2482 177.3079 77 V 4.6487 7.2738 116.0463 60.5583 34.7427 172.8929 78 F 5.2152 9.1719 121.9691 55.8829 42.0289 174.5642 79 L 5.1010 8.8850 122.6315 53.2654 43.8369 175.4862 80 I 4.6102 8.7385 126.1336 60.3937 38.5733 174.8700 81 C 5.5357 9.0051 125.2801 58.0897 31.4374 172.9726 82 F 5.1067 8.3526 115.6399 55.5347 41.8723 172.9751 83 S 5.1916 8.9541 114.9348 56.5406 63.1320 175.2511 84 L 4.2204 9.1433 127.6845 57.2214 41.6006 178.9174 85 V 4.4753 7.7730 110.4184 60.8795 32.1594 176.1753 86 S 4.6403 8.0924 116.7381 54.5848 62.3777 172.1371 87 P 4.4184 0.0000 0.0000 65.2527 31.1810 177.6281 88 A 4.0569 8.1153 119.3049 55.2513 18.2075 179.6262 89 S 5.1006 7.9041 112.4615 61.0966 63.3320 176.3452 90 F 4.1631 8.3278 126.2738 61.8613 39.3152 177.6208 91 E 3.8087 8.4778 117.9130 60.8101 29.4029 180.3477 92 N 4.6630 8.3976 115.2174 55.7122 38.4459 177.6227 93 V 3.8674 7.5774 120.3004 66.1727 31.4520 178.0014 94 R 3.8620 7.6689 116.2751 59.2559 30.1085 177.6819 95 A 4.1763 7.7618 119.5729 53.6571 18.8148 177.3673 96 K 4.0843 7.5277 115.4117 57.4174 34.4314 178.2387 97 W 4.3418 8.2864 118.6578 59.9056 28.9686 178.0949 98 Y 4.1259 8.4977 119.7871 60.3954 38.1780 176.0931 99 P 3.8715 0.0000 0.0000 65.4036 31.5048 178.1827 100 E 3.8646 8.0477 117.9221 59.3661 29.6974 179.0929 101 V 3.1050 7.8522 118.4127 65.8304 31.4181 178.0308 102 R 3.8483 7.9439 118.8852 59.3764 29.5615 178.0071 103 H 4.0128 7.5889 117.3792 59.5675 29.9898 176.7452 104 H 4.5428 8.0424 116.2810 57.2329 30.1245 175.4997 105 C 4.8206 7.9987 118.3985 56.8298 28.5480 172.6153 106 P 4.7433 0.0000 0.0000 64.1660 31.3669 177.5461 107 H 4.8935 7.6177 112.2607 55.3125 30.5711 173.5071 108 T 4.4150 7.9165 117.4102 62.3075 69.1713 172.9113 109 P 4.5339 0.0000 0.0000 63.1412 33.0339 174.9653 110 I 5.1249 8.4217 121.8206 59.6893 40.4052 174.1287 111 L 4.9231 9.1882 127.2197 53.0264 44.0753 175.1573 112 L 4.9673 8.7537 126.0927 53.9300 43.8588 175.1333 113 V 4.5837 9.0871 127.0645 60.9780 34.2617 174.2790 114 G 3.4425 8.8560 116.3633 45.1327 0.0000 173.0437 115 T 4.8694 8.3465 115.3119 59.3506 72.5533 174.0010 116 K 4.3979 8.4265 116.3876 56.0254 29.8691 177.8641 117 L 3.9024 7.8647 122.8546 58.2166 42.2744 178.6738 118 D 4.4002 8.0916 117.4481 55.9317 39.5145 177.6989 119 L 4.3392 8.0120 118.9038 55.7036 42.1083 178.7523 120 R 3.9285 7.8111 118.8509 58.8254 30.0821 176.6520 121 D 4.6685 7.9179 114.9308 54.0536 41.3076 175.8395 122 D 4.5905 7.9318 121.2707 53.0580 41.9621 176.6737 123 K 3.8973 8.7315 127.7620 60.5174 32.4204 178.7138 124 D 4.3452 7.9818 119.3418 57.3090 41.0407 178.5967 125 T 3.9248 8.0861 116.1913 66.8034 68.4617 176.7629 126 I 3.8414 8.1050 124.1818 64.9584 36.5533 179.0446 127 E 4.0652 8.3159 119.3196 61.1084 28.0948 181.6757 128 R 4.2389 8.6052 119.1186 58.8705 29.9532 179.1738 129 L 4.3440 8.0311 121.2746 58.2921 41.7119 180.1357 130 R 4.1261 8.3127 123.0768 62.1137 29.0410 181.3780 131 D 4.7092 7.6714 119.0543 57.9380 39.8833 180.9868 132 K 4.5458 7.3907 116.3627 56.5670 32.2104 177.5986 133 K 3.9154 7.9055 119.5163 55.5577 29.5179 179.7393 134 L 4.8974 7.9613 118.7692 54.0277 44.9235 175.2643 135 A 4.5977 7.9060 120.4395 50.4683 21.7598 174.2391 136 P 4.6509 0.0000 0.0000 62.5965 32.3345 176.4989 137 I 4.1052 8.7758 124.2591 61.4762 37.7270 176.4669 138 T 4.3703 8.7808 117.5629 60.9077 70.8738 175.5964 139 Y 4.4335 8.6796 123.2234 60.0524 38.7984 175.8282 140 P 4.1253 0.0000 0.0000 65.7427 31.4109 178.2873 141 Q 4.0548 7.8762 116.1946 59.1831 28.6859 179.5536 142 G 2.9455 7.6326 106.3928 47.1609 0.0000 175.3366 143 L 3.4978 7.5015 122.7406 57.8776 42.0326 179.0252 144 A 3.9046 7.9772 120.8200 55.2393 18.2132 179.3356 145 M 3.7525 7.9781 116.5318 58.6441 32.2390 178.1714 146 A 3.9866 7.9055 120.9379 55.3443 18.3144 179.9237 147 R 3.7914 7.7330 116.0602 59.1424 29.9207 178.6953 148 E 3.8247 7.7340 118.0777 59.5211 29.7326 178.8564 149 I 2.8094 7.7577 118.2417 61.3320 37.2075 176.3157 150 G 3.8322 7.3722 107.6484 46.3607 0.0000 174.2291 151 S 4.4789 8.0129 113.6732 57.8094 63.7958 174.6561 152 V 3.9346 8.6589 115.5269 63.6382 32.1561 176.4611 153 K 4.4579 7.8169 118.3269 55.5541 36.0912 173.1971 154 Y 5.3863 8.7438 127.9991 56.2447 40.4761 174.5883 155 L 4.6038 8.3682 125.4258 52.9466 45.9655 175.0973 156 E 4.9748 8.3127 121.4904 55.0209 32.6509 174.5864 157 C 4.7088 8.6720 116.9427 57.5443 34.1863 172.4553 158 S 4.7981 8.8074 113.0387 56.4652 64.2010 174.6963 159 A 4.1531 9.0022 130.6778 55.0954 18.6742 178.3342 160 L 3.2911 7.8692 117.2127 58.1973 42.1935 178.1242 161 T 3.9985 7.7944 106.6376 61.9596 69.1383 175.7092 162 Q 3.7518 8.5134 122.8818 56.4944 27.5757 173.9801 163 R 3.9831 7.6422 118.0956 57.4231 29.6727 182.7875 164 G 3.9451 8.9615 110.6348 45.2553 0.0000 175.0545 165 L 3.9484 8.0869 122.2619 58.0406 42.1084 178.5173 166 K 4.1292 8.2364 119.1146 60.0730 32.0394 178.3539 167 T 3.8295 7.9776 115.2818 66.6368 68.3843 176.0351 168 V 3.2782 7.2603 120.1992 66.3968 31.3933 178.0608 169 F 4.0555 7.4414 115.9348 59.8963 38.8295 177.7980 170 D 4.4514 8.5125 119.2829 57.4053 40.4935 178.6427 171 E 3.9749 8.7172 119.3716 59.0570 28.9705 179.0856 172 A 3.9437 7.8878 120.8847 55.2862 18.3867 179.7293 173 I 3.6931 7.8186 118.2061 64.5929 36.9779 178.5904 174 R 3.8609 7.9286 118.0482 59.4764 29.9363 178.0729 175 A 4.1192 8.1262 119.8684 54.8567 18.3572 179.3745 176 V 3.7974 7.1902 115.3247 65.5510 31.9171 176.4903 177 L 4.3548 8.0176 122.1527 54.9474 41.7751 176.4871 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 8.40 4.38 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 Q 8.51 4.21 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 3 A 9.30 5.37 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 4 I 8.54 4.77 1.93 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 1.14 0.66 0.95 0.00 0.00 5 K 9.71 5.00 0.00 1.79 1.72 0.00 1.01 0.00 0.00 1.31 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.13 7.81 6 C 9.60 5.22 0.00 3.06 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 7 V 8.23 4.93 1.71 0.00 0.00 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 0.72 0.00 0.00 8 V 8.74 4.82 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 0.96 0.00 0.00 1.05 0.00 0.00 9 V 9.33 4.76 1.69 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 1.16 0.00 0.00 0.83 0.00 0.00 10 G 6.59 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.20 4.84 0.00 2.92 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 12 G 8.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.76 3.79 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 14 V 7.47 3.79 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 0.96 0.00 0.00 15 G 8.34 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.42 3.94 0.00 1.81 1.88 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 17 T 7.67 4.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 C 7.94 3.79 0.00 3.04 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 19 L 8.17 4.01 0.00 1.89 1.96 0.94 1.00 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 20 L 7.71 3.96 0.00 1.64 1.41 1.12 1.22 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 21 I 7.67 3.33 1.61 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.06 0.78 0.00 0.00 22 S 8.18 4.66 0.00 4.06 3.96 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 23 Y 7.58 4.05 0.00 2.88 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 24 T 7.68 3.71 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 25 T 7.68 4.28 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 1.11 0.00 0.00 26 N 8.15 4.48 0.00 2.82 2.91 0.00 0.00 6.68 7.49 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 27 A 7.67 4.72 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 28 F 8.75 4.67 0.00 2.96 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 29 P 0.00 4.22 0.00 1.96 1.86 0.00 2.83 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 30 G 8.56 4.09 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 0.00 0.00 0.00 31 E 7.71 4.68 0.00 2.28 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 2.17 1.86 0.00 *32 Y 8.40 4.19 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.56 4.41 1.87 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 1.30 1.17 0.91 0.00 0.00 *38 D 8.49 4.40 0.00 2.57 2.14 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 39 N 7.86 4.70 0.00 1.44 1.42 0.00 0.00 5.88 7.55 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 40 Y 8.67 4.71 0.00 2.83 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 41 S 8.65 5.26 0.00 3.68 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 9.26 4.82 1.16 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 0.00 0.00 43 N 8.60 5.47 0.00 2.52 2.68 0.00 0.00 6.63 7.68 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 44 V 8.67 4.51 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 1.00 0.00 0.00 1.06 0.00 0.00 45 M 8.71 4.68 0.00 2.07 1.97 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 2.64 2.60 0.00 46 V 9.27 4.13 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 0.93 0.00 0.00 0.97 0.00 0.00 47 D 9.76 4.57 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.29 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 49 K 7.90 4.75 0.00 1.93 1.70 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 50 P 0.00 4.97 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 51 V 8.95 4.54 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 1.09 0.00 0.00 1.01 0.00 0.00 52 N 8.86 5.00 0.00 2.93 2.69 0.00 0.00 6.65 6.21 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 53 L 9.26 5.06 0.00 1.81 1.70 1.04 1.04 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 54 G 9.41 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 0.00 0.00 0.00 0.00 55 L 8.78 5.50 0.00 1.68 1.70 0.83 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 56 W 9.42 4.93 0.00 3.31 3.26 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 57 D 9.10 5.25 0.00 2.91 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 58 T 8.19 4.86 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 1.42 0.00 0.00 59 A 8.47 4.42 0.69 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 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3.73 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 69 P 0.00 2.97 0.00 1.98 1.67 0.00 3.58 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 1.97 1.97 0.00 70 L 7.37 4.07 0.00 1.70 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.63 4.34 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 72 Y 7.77 4.60 0.00 3.19 3.16 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 73 P 0.00 4.40 0.00 2.00 2.01 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 74 Q 8.78 3.58 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 75 T 7.55 3.87 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 0.26 0.00 0.00 76 D 8.55 4.79 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.11 0.00 0.00 94 R 7.67 3.86 0.00 1.63 1.92 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 95 A 7.76 4.18 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 96 K 7.53 4.08 0.00 1.36 1.21 0.00 1.32 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.81 7.81 97 W 8.29 4.34 0.00 3.54 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 98 Y 8.50 4.13 0.00 3.02 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 99 P 0.00 3.87 0.00 2.09 1.99 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 100 E 8.05 3.86 0.00 2.05 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 0.00 2.50 2.36 0.00 101 V 7.85 3.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.62 0.00 0.00 102 R 7.94 3.85 0.00 1.47 1.31 0.00 3.14 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 103 H 7.59 4.01 0.00 3.07 3.36 0.00 6.00 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 0.00 104 H 8.04 4.54 0.00 3.45 3.56 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.00 4.82 0.00 3.01 2.95 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 0.00 106 P 0.00 4.74 0.00 1.88 2.05 0.00 3.32 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 107 H 7.62 4.89 0.00 3.23 3.33 0.00 5.65 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 0.00 108 T 7.92 4.41 4.55 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 1.40 0.00 0.00 109 P 0.00 4.53 0.00 2.16 2.22 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 110 I 8.42 5.12 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 1.00 0.00 0.00 111 L 9.19 4.92 0.00 1.55 1.52 0.92 0.23 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 0.00 112 L 8.75 4.97 0.00 1.94 1.84 1.27 0.74 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 0.00 113 V 9.09 4.58 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 0.70 0.00 0.00 0.77 0.00 0.00 114 G 8.86 3.44 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 0.00 115 T 8.35 4.87 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 1.09 0.00 0.00 116 K 8.43 4.40 0.00 1.99 1.92 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.38 7.81 117 L 7.86 3.90 0.00 1.81 1.66 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.09 4.40 0.00 2.80 2.86 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 0.00 119 L 8.01 4.34 0.00 1.89 1.74 0.93 0.80 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 0.00 120 R 7.81 3.93 0.00 1.81 2.03 0.00 3.35 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 121 D 7.92 4.67 0.00 2.69 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 0.00 122 D 7.93 4.59 0.00 2.80 2.69 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 0.00 123 K 8.73 3.90 0.00 2.11 2.07 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.12 7.81 124 D 7.98 4.35 0.00 2.91 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 0.00 125 T 8.09 3.92 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 1.23 0.00 0.00 126 I 8.10 3.84 2.04 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 1.39 0.95 0.92 0.00 0.00 127 E 8.32 4.07 0.00 1.98 1.95 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 2.24 2.22 0.00 128 R 8.61 4.24 0.00 1.81 2.03 0.00 3.09 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 129 L 8.03 4.34 0.00 1.91 1.78 1.01 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 0.00 130 R 8.31 4.13 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 131 D 7.67 4.71 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.39 4.55 0.00 1.85 1.89 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.61 7.81 133 K 7.91 3.92 0.00 1.96 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.26 7.81 134 L 7.96 4.90 0.00 1.72 1.62 0.96 0.87 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 0.00 135 A 7.91 4.60 1.20 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 0.00 136 P 0.00 4.65 0.00 1.96 2.01 0.00 3.69 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 2.04 2.13 0.00 137 I 8.78 4.11 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.28 0.04 0.00 0.00 138 T 8.78 4.37 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 1.23 0.00 0.00 139 Y 8.68 4.43 0.00 3.06 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 0.00 140 P 0.00 4.13 0.00 2.18 2.10 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 141 Q 7.88 4.05 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 142 G 7.63 2.95 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 0.00 143 L 7.50 3.50 0.00 1.39 1.56 0.77 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.98 3.90 1.32 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 0.00 0.00 0.00 145 M 7.98 3.75 0.00 2.23 1.87 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 146 A 7.91 3.99 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 0.00 147 R 7.73 3.79 0.00 1.95 1.92 0.00 3.08 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 148 E 7.73 3.82 0.00 1.85 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 0.00 2.11 2.22 0.00 149 I 7.76 2.81 1.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.71 0.00 0.00 150 G 7.37 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 0.00 151 S 8.01 4.48 0.00 4.12 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 0.00 152 V 8.66 3.93 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 0.66 0.00 0.00 1.03 0.00 0.00 153 K 7.82 4.46 0.00 1.89 1.58 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.40 7.81 154 Y 8.74 5.39 0.00 2.93 2.83 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 0.00 155 L 8.37 4.60 0.00 1.34 1.27 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.31 4.97 0.00 1.82 1.75 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 2.26 1.94 0.00 157 C 8.67 4.71 0.00 3.01 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 0.00 158 S 8.81 4.80 0.00 3.84 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 0.00 159 A 9.00 4.15 1.57 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 0.00 0.00 160 L 7.87 3.29 0.00 1.02 1.43 -0.31 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.79 4.00 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 1.13 0.00 0.00 162 Q 8.51 3.75 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 163 R 7.64 3.98 0.00 1.76 1.83 0.00 3.35 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 164 G 8.96 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 0.00 165 L 8.09 3.95 0.00 1.90 1.88 1.12 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.24 4.13 0.00 2.09 1.89 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.12 7.81 167 T 7.98 3.83 4.36 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 1.18 0.00 0.00 168 V 7.26 3.28 1.82 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 0.14 0.00 0.00 0.81 0.00 0.00 169 F 7.44 4.06 0.00 2.75 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 0.00 170 D 8.51 4.45 0.00 2.87 2.74 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 0.00 0.00 0.00 171 E 8.72 3.97 0.00 2.06 1.95 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 2.41 2.43 0.00 172 A 7.89 3.94 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 0.00 173 I 7.82 3.69 2.06 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 1.47 0.80 0.95 0.00 0.00 174 R 7.93 3.86 0.00 2.24 2.12 0.00 3.38 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 175 A 8.13 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.19 3.80 2.23 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 0.89 0.00 0.00 1.03 0.00 0.00 177 L 8.02 4.35 0.00 1.66 1.57 0.94 1.12 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 * Residues marked with a * may have inaccurate shift predictions.