NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2813 8.1593 117.3738 63.5657 69.7184 173.4062 2 S 4.4612 8.1967 120.6507 55.7579 65.2394 173.3734 3 K 3.8808 9.4818 122.6261 59.7716 32.6951 179.6811 4 K 3.8344 8.1210 118.0467 59.6384 31.8496 178.8217 5 K 4.0800 7.5382 115.9167 58.4021 32.1426 177.6835 6 R 4.4419 7.7601 116.2975 56.8708 31.0205 177.6395 7 Q 4.1705 8.0717 118.9801 57.1849 28.4036 175.8848 8 R 4.1128 7.5872 118.8493 58.7896 30.1070 175.8070 9 G 4.1089 9.0187 112.1767 45.9678 0.0000 174.6521 10 S 4.0956 8.3490 113.9707 59.0547 63.0264 173.7377 11 R 4.1159 7.7949 123.9996 57.0306 29.3159 176.4367 12 T 4.2591 7.5797 105.2837 61.5299 69.6716 174.4763 13 H 4.8001 8.5527 117.4896 55.9007 26.9173 175.7081 14 G 3.9307 8.6134 104.8808 45.7075 0.0000 175.1016 15 G 3.8008 8.2092 107.5211 45.4079 0.0000 176.2528 16 G 3.8856 7.9161 106.5474 44.6859 0.0000 173.4211 17 S 4.1154 8.6873 116.0766 58.9873 62.6277 175.2135 18 H 4.4140 8.8818 121.3903 57.2122 28.2972 175.7778 19 K 4.1285 7.7977 119.1925 56.8266 31.7623 177.4915 20 N 4.3634 7.7120 117.4840 55.7071 38.9811 177.1712 21 R 4.3044 7.4531 123.6166 56.3493 29.2177 177.6606 22 R 4.6082 7.5911 124.3205 56.2462 31.2847 179.2954 23 G 4.0616 8.4951 120.9629 45.7172 0.0000 173.3916 24 A 4.2552 8.6843 120.6650 54.3885 18.3762 180.0445 25 G 3.5932 8.0071 104.3831 47.8178 0.0000 175.0536 26 H 4.5082 8.2306 118.9253 57.7925 29.9893 176.2979 27 R 4.5124 7.7258 117.0799 55.1689 31.0375 175.6063 28 G 3.7377 8.1166 106.7354 46.6454 0.0000 174.8373 29 G 4.0409 8.6266 104.8969 44.5670 0.0000 174.4863 30 R 4.1041 8.2620 118.8120 56.7336 31.7776 177.5892 31 G 3.7167 8.2938 110.3816 47.5005 0.0000 174.1658 32 D 4.7611 8.5982 122.4850 54.0910 40.7634 175.7252 33 A 3.9520 7.3863 122.8040 53.7257 18.9366 179.1401 34 G 3.7452 8.9503 109.2416 45.6139 0.0000 175.2090 35 R 3.9207 7.6068 116.2317 57.4843 29.1647 177.1786 36 D 5.0744 7.8304 115.4036 52.7496 41.4469 175.2932 37 K 4.5393 8.7290 118.9952 56.8946 32.1101 179.0433 38 H 4.5613 9.8146 125.7267 58.5768 28.7884 175.7413 39 E 4.6917 7.0842 120.3714 55.5705 30.4987 177.3830 40 F 4.7332 8.3105 115.8184 59.2948 38.3026 174.9695 41 H 3.6086 6.3596 116.7047 57.2810 28.5805 174.1960 42 N 4.2819 8.8607 119.4106 54.3205 36.0007 173.4949 43 H 4.8453 7.7904 114.4458 53.8689 30.5774 174.9768 44 E 4.1429 8.5506 122.4605 55.3291 29.9380 175.4162 45 P 4.4250 0.0000 0.0000 62.7653 31.7201 175.9517 46 L 4.1612 8.0213 118.8323 54.9577 42.2655 175.9010 47 G 4.2185 8.1447 105.7598 43.7279 0.0000 173.5430 48 K 4.5840 8.0515 119.4888 55.0406 34.1919 176.3847 49 S 4.4318 8.5812 113.5063 58.3664 65.5411 176.1490 50 G 4.0205 8.9670 117.0249 45.8985 0.0000 171.2049 51 F 4.9130 8.2424 113.6335 55.9947 40.7314 173.0739 52 K 4.2923 8.3130 118.7276 54.5422 35.3628 176.4119 53 R 4.5855 8.0457 120.9582 53.7419 31.9104 174.7046 54 P 4.2588 0.0000 0.0000 63.3228 31.4047 177.1549 55 Q 4.1091 8.8417 122.4271 58.6449 28.7474 178.0604 56 K 4.4503 7.9462 114.4324 56.5977 32.7421 176.7137 57 V 4.3674 8.2442 116.5093 62.8783 32.2142 174.9599 58 Q 4.7110 7.8336 116.3248 54.3270 30.7419 174.5875 59 E 4.5487 8.5040 119.4921 54.4265 32.5263 175.0505 60 E 4.4568 8.4923 123.8824 54.3553 31.4853 174.2408 61 A 4.0611 8.2094 129.1804 50.8752 20.1556 176.1667 62 A 4.3474 8.9150 125.3213 51.4017 19.7410 176.8209 63 T 5.3862 8.1470 112.2561 59.9247 72.0859 173.6254 64 I 4.3967 7.7776 119.6748 60.2391 41.5280 172.7853 65 D 5.1510 8.5947 128.4394 53.4590 42.2859 177.7152 66 V 3.5843 8.5173 116.2501 64.9165 31.6313 178.7930 67 R 3.7468 7.7324 118.0356 59.5833 29.5236 178.1302 68 E 3.8735 8.0594 117.8618 59.3331 29.9092 178.2983 69 I 3.8020 7.7522 119.2747 64.5728 37.0900 177.5827 70 D 4.2905 8.8528 119.1790 57.6014 40.9271 178.2344 71 E 4.1396 8.1109 117.0051 58.2503 28.9530 177.3672 72 N 4.9861 7.6459 116.3974 52.8817 39.7874 177.1763 73 V 3.1417 7.4289 113.2080 64.6585 31.8130 178.7406 74 T 3.8879 7.6334 108.6202 64.8353 68.4546 175.4636 75 L 4.0613 7.1837 121.2998 56.9706 41.1690 177.5632 76 L 4.3806 7.6796 120.6140 53.7400 41.1638 178.0883 77 A 4.2002 7.8809 123.5911 55.3762 18.9450 179.3831 78 A 4.6163 7.2907 114.5772 52.3487 18.0966 176.8022 79 D 4.7777 8.4439 119.0019 55.5870 45.0469 175.0634 80 D 4.3072 7.7995 121.6132 49.3169 42.2300 175.7125 81 V 4.5003 8.2784 121.5199 61.3742 34.3521 174.6471 82 A 4.3190 8.0928 130.1705 51.4690 20.7517 175.7422 83 E 3.7001 8.7962 111.4363 59.2169 29.8722 177.1638 *89 F 4.4932 7.7820 117.3039 57.2884 41.1682 173.8698 90 R 5.1204 8.6006 119.9692 54.7504 32.0252 174.8717 91 V 4.4643 8.5056 125.8384 59.9153 34.9110 174.5655 92 D 4.8081 8.7715 124.2529 52.9340 41.0236 176.4721 93 V 3.5631 8.3316 127.5701 66.0882 31.7400 178.4503 94 R 3.4669 7.8076 116.9588 59.2328 29.9350 177.0192 95 D 4.6870 8.4910 115.2077 54.4098 41.2849 176.7564 96 V 4.0624 8.3854 119.7240 64.3412 32.6613 176.4968 97 V 3.6298 7.5677 118.1651 62.9083 32.1362 175.4898 98 E 4.2011 8.5975 126.1900 56.7188 30.4121 176.6996 99 E 3.8069 8.7511 116.3993 57.4665 27.0153 175.5296 100 A 4.4363 7.5909 118.6818 52.7286 18.4036 177.9880 101 D 4.7571 7.8212 117.5142 57.1460 42.5682 178.3710 102 D 4.3961 8.0547 114.2130 53.4827 39.2190 175.3208 103 A 4.7493 7.4226 122.2176 50.6224 20.9480 177.5658 104 D 4.4225 8.8094 121.7992 56.5739 41.8196 175.7281 105 Y 4.6579 6.7360 115.4338 56.6762 40.5401 172.3094 106 V 4.8173 9.6650 121.8910 61.2957 33.8209 174.4394 107 K 4.7401 9.3762 128.6759 54.5772 35.7213 174.5806 108 V 4.5938 8.3919 127.1815 61.5295 33.1725 174.7220 109 L 4.5396 9.2183 128.3559 52.7530 44.1787 176.8841 110 G 4.3391 8.2003 109.0401 45.1160 0.0000 173.4553 111 A 4.6799 7.8927 122.8549 51.5710 21.4117 175.8314 112 G 4.0540 8.7434 109.3038 44.1668 0.0000 172.3813 113 Q 4.6263 8.3832 117.5019 53.9699 31.9089 175.3655 114 V 4.3789 8.1108 118.3523 61.7944 32.8220 174.9338 115 R 4.5350 8.6464 126.1024 56.0538 30.1540 175.6680 116 H 5.1479 7.7429 114.0389 54.4596 33.5876 172.3539 117 E 4.7853 8.7884 117.7011 54.6956 30.5711 175.5655 118 L 5.1036 8.5798 124.0926 53.0510 46.0254 175.8149 119 T 4.9381 9.0607 120.2337 62.1560 70.3107 172.9056 120 L 5.1783 8.5183 127.0849 53.1037 44.2461 175.9527 121 I 5.6072 8.6323 123.9870 59.0311 39.8104 174.5271 122 A 4.6758 8.5909 127.4038 50.3403 22.2781 176.3123 123 D 4.4444 8.6694 119.0629 56.6456 41.9274 176.0220 124 D 4.4195 6.9417 115.1107 53.6040 44.2731 174.5340 125 F 5.4708 9.0413 121.8503 55.8144 43.3773 174.0726 126 S 4.7862 8.4067 114.7406 56.9211 65.5753 174.8257 127 E 4.0222 9.2155 120.5264 60.1473 29.2321 179.9219 128 G 3.7913 8.2643 104.4094 47.9051 0.0000 175.1900 129 A 4.0707 7.7462 122.7488 55.0801 18.4395 179.9721 130 R 3.7453 8.0501 116.4622 59.4099 30.1838 178.8575 131 E 3.9428 8.4581 118.7386 59.6523 29.3632 179.8710 132 K 3.9817 8.1043 118.0500 59.4742 32.2216 179.6125 133 V 3.6185 7.9553 118.5818 66.0627 31.3799 177.9890 134 E 4.8313 8.1409 120.1912 58.7895 29.2258 179.2923 135 G 3.9347 8.3979 104.7216 46.8475 0.0000 173.6518 136 A 4.5879 7.7378 123.4957 51.6767 19.5319 176.9824 137 G 3.7043 8.5725 105.4291 48.7266 0.0000 173.5954 138 G 4.4259 7.7542 104.9108 43.9283 0.0000 172.3734 139 S 5.0902 8.8290 113.3916 56.3059 67.1145 173.3668 140 V 4.3445 8.0157 118.7769 61.2252 33.8886 174.0336 141 E 4.6330 9.6043 128.9793 54.5058 31.6054 174.9943 142 L 5.0196 8.5419 127.3692 54.5961 43.1061 176.5115 143 T 4.1417 8.4970 122.8489 63.5639 69.6800 175.2634 144 D 4.4184 8.7674 121.6626 57.5794 41.0717 179.0355 145 L 3.9525 8.0315 119.7963 57.9617 42.1414 177.9788 146 G 3.8141 7.6018 105.2352 46.5354 0.0000 172.8969 147 E 4.3954 8.0939 119.9993 57.2933 30.1192 176.6770 148 E 4.8040 7.9147 112.6932 56.1418 30.3848 178.3755 149 R 4.5468 7.3591 116.3965 52.1885 31.0516 176.0882 150 Q 4.2925 7.8838 121.3975 56.8264 29.2640 173.1344 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 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.20 4.46 0.00 4.07 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 3 K 9.48 3.88 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.54 7.81 4 K 8.12 3.83 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.54 4.08 0.00 1.77 2.02 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.76 4.44 0.00 1.91 1.92 0.00 3.20 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 7 Q 8.07 4.17 0.00 1.77 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 8 R 7.59 4.11 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.02 4.11 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 0.00 0.00 0.00 10 S 8.35 4.10 0.00 3.93 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 11 R 7.79 4.12 0.00 1.98 2.07 0.00 3.21 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.58 4.26 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 1.32 0.00 0.00 13 H 8.55 4.80 0.00 3.30 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.61 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 15 G 8.21 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 16 G 7.92 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 17 S 8.69 4.12 0.00 3.87 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 18 H 8.88 4.41 0.00 3.31 3.38 0.00 5.57 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 19 K 7.80 4.13 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.33 7.81 20 N 7.71 4.36 0.00 2.70 2.59 0.00 0.00 6.94 7.30 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 21 R 7.45 4.30 0.00 1.77 1.90 0.00 3.15 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 22 R 7.59 4.61 0.00 1.72 0.97 0.00 3.15 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 23 G 8.50 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 0.00 0.00 0.00 24 A 8.68 4.26 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 25 G 8.01 3.59 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 0.00 0.00 0.00 26 H 8.23 4.51 0.00 3.18 3.48 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.73 4.51 0.00 1.92 1.91 0.00 3.33 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 28 G 8.12 3.74 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 0.00 0.00 0.00 29 G 8.63 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.26 4.10 0.00 1.80 1.88 0.00 3.42 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 31 G 8.29 3.72 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 0.00 0.00 0.00 32 D 8.60 4.76 0.00 2.74 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 33 A 7.39 3.95 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 34 G 8.95 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 0.00 0.00 0.00 35 R 7.61 3.92 0.00 1.67 1.92 0.00 2.74 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 36 D 7.83 5.07 0.00 2.73 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 37 K 8.73 4.54 0.00 1.76 1.26 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.81 4.56 0.00 3.31 3.46 0.00 5.46 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 39 E 7.08 4.69 0.00 1.99 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 2.20 2.02 0.00 40 F 8.31 4.73 0.00 3.21 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 41 H 6.36 3.61 0.00 2.89 3.06 0.00 5.83 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 42 N 8.86 4.28 0.00 2.83 2.88 0.00 0.00 7.05 8.16 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 43 H 7.79 4.85 0.00 3.35 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.55 4.14 0.00 1.98 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 2.33 2.30 0.00 45 P 0.00 4.43 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 46 L 8.02 4.16 0.00 1.66 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.14 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.05 4.58 0.00 1.76 1.75 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.58 4.43 0.00 3.80 3.70 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 50 G 8.97 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 51 F 8.24 4.91 0.00 3.14 2.98 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 52 K 8.31 4.29 0.00 1.68 1.62 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.36 7.81 53 R 8.05 4.59 0.00 1.76 1.88 0.00 3.30 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.43 0.00 54 P 0.00 4.26 0.00 2.23 2.23 0.00 3.80 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 2.11 2.04 0.00 55 Q 8.84 4.11 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.41 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 56 K 7.95 4.45 0.00 1.86 1.88 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.41 7.81 57 V 8.24 4.37 2.21 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.83 4.71 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 59 E 8.50 4.55 0.00 1.94 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 2.46 2.28 0.00 60 E 8.49 4.46 0.00 1.94 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 0.00 2.16 2.19 0.00 61 A 8.21 4.06 0.72 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 0.00 0.00 62 A 8.92 4.35 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 63 T 8.15 5.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 64 I 7.78 4.40 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.94 0.00 0.00 65 D 8.59 5.15 0.00 2.64 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 66 V 8.52 3.58 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 0.96 0.00 0.00 0.99 0.00 0.00 67 R 7.73 3.75 0.00 1.90 2.05 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 8.06 3.87 0.00 1.99 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 2.31 2.33 0.00 69 I 7.75 3.80 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.10 0.91 0.00 0.00 70 D 8.85 4.29 0.00 2.80 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 71 E 8.11 4.14 0.00 1.97 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 2.59 0.00 72 N 7.65 4.99 0.00 2.60 2.71 0.00 0.00 6.83 8.30 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 73 V 7.43 3.14 0.67 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 0.51 0.00 0.00 0.44 0.00 0.00 74 T 7.63 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 75 L 7.18 4.06 0.00 1.91 1.76 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.68 4.38 0.00 1.85 1.63 0.88 0.56 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 77 A 7.88 4.20 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 78 A 7.29 4.62 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 79 D 8.44 4.78 0.00 2.76 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 80 D 7.80 4.31 0.00 3.00 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 81 V 8.28 4.50 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 0.39 0.00 0.00 1.00 0.00 0.00 82 A 8.09 4.32 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.80 3.70 0.00 2.06 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 2.27 2.32 0.00 *89 F 7.78 4.49 0.00 3.00 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 90 R 8.60 5.12 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.51 4.46 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 0.85 0.00 0.00 0.95 0.00 0.00 92 D 8.77 4.81 0.00 2.78 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 93 V 8.33 3.56 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 0.86 0.00 0.00 0.97 0.00 0.00 94 R 7.81 3.47 0.00 2.08 2.01 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 95 D 8.49 4.69 0.00 2.72 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 96 V 8.39 4.06 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.57 3.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.60 4.20 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 99 E 8.75 3.81 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 2.27 2.27 0.00 100 A 7.59 4.44 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 0.00 101 D 7.82 4.76 0.00 2.63 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 0.00 102 D 8.05 4.40 0.00 2.76 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 0.00 103 A 7.42 4.75 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 0.00 104 D 8.81 4.42 0.00 2.53 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 0.00 105 Y 6.74 4.66 0.00 3.15 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 0.00 106 V 9.67 4.82 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 0.87 0.00 0.00 0.93 0.00 0.00 107 K 9.38 4.74 0.00 1.98 1.64 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.55 7.81 108 V 8.39 4.59 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.79 0.00 0.00 109 L 9.22 4.54 0.00 1.77 1.56 0.92 0.67 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 0.00 110 G 8.20 4.34 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 0.00 111 A 7.89 4.68 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 0.00 112 G 8.74 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.38 4.63 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 114 V 8.11 4.38 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 0.96 0.00 0.00 0.95 0.00 0.00 115 R 8.65 4.54 0.00 1.62 1.79 0.00 3.14 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 116 H 7.74 5.15 0.00 3.04 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.79 4.79 0.00 2.01 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 0.00 2.28 2.27 0.00 118 L 8.58 5.10 0.00 1.63 1.62 0.96 0.75 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 0.00 119 T 9.06 4.94 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 120 L 8.52 5.18 0.00 1.87 1.87 1.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.63 5.61 1.94 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 1.18 1.44 0.97 0.00 0.00 122 A 8.59 4.68 0.60 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 0.00 0.00 123 D 8.67 4.44 0.00 2.73 2.62 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 0.00 124 D 6.94 4.42 0.00 2.52 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 0.00 0.00 0.00 125 F 9.04 5.47 0.00 2.87 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 0.00 126 S 8.41 4.79 0.00 3.89 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 0.00 127 E 9.22 4.02 0.00 2.05 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 2.43 0.00 128 G 8.26 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.75 4.07 1.53 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 0.00 0.00 130 R 8.05 3.75 0.00 2.01 1.91 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.78 0.00 131 E 8.46 3.94 0.00 2.12 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 2.33 2.54 0.00 132 K 8.10 3.98 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 V 7.96 3.62 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 1.07 0.00 0.00 1.07 0.00 0.00 134 E 8.14 4.83 0.00 1.99 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 2.40 2.33 0.00 135 G 8.40 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 0.00 136 A 7.74 4.59 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.57 3.70 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 0.00 0.00 0.00 138 G 7.75 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 0.00 0.00 0.00 0.00 139 S 8.83 5.09 0.00 3.82 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 0.00 140 V 8.02 4.34 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 -0.67 0.00 0.00 0.23 0.00 0.00 141 E 9.60 4.63 0.00 1.96 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 2.23 2.22 0.00 142 L 8.54 5.02 0.00 1.71 1.62 1.28 1.10 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 0.00 143 T 8.50 4.14 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 1.25 0.00 0.00 144 D 8.77 4.42 0.00 2.71 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 0.00 145 L 8.03 3.95 0.00 1.61 1.83 0.98 0.99 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 0.00 146 G 7.60 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.09 4.40 0.00 2.05 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 2.33 2.46 0.00 148 E 7.91 4.80 0.00 1.82 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 0.00 2.17 2.50 0.00 149 R 7.36 4.55 0.00 1.73 1.81 0.00 3.30 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 150 Q 7.88 4.29 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.