NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.2916 8.2993 120.1270 56.0959 33.4458 175.8067 -6 I 3.5753 8.4079 117.5895 62.6825 37.8760 174.6053 -5 H 4.7781 8.5578 118.4212 54.1854 32.3201 174.1897 -4 H 4.5387 8.6995 120.5466 56.9058 29.2453 174.6334 -3 H 5.0242 7.7205 116.0868 54.3876 32.2721 171.8823 -2 H 4.4060 8.1778 121.4540 56.0194 32.7221 172.1245 -1 H 4.8060 8.3830 115.9040 54.9263 28.1428 174.6232 0 H 4.2857 7.2816 112.5818 54.1812 31.1310 170.9590 *25 P 3.4211 0.0000 0.0000 61.0966 32.3515 174.7967 26 P 4.8780 0.0000 0.0000 62.1042 31.7962 177.7530 27 E 4.4923 9.1907 119.0297 59.0120 29.4850 178.2009 28 A 4.3470 8.0349 118.8153 52.8646 19.1358 176.7403 29 Y 4.3606 8.0407 117.6462 56.7378 39.7351 175.8106 30 S 4.3224 8.1742 120.1540 58.0597 64.1153 174.8519 31 L 4.4456 8.7476 130.1873 58.6309 41.9334 178.9648 32 D 4.2579 8.1673 118.2101 57.8675 40.8024 178.8783 33 T 4.1594 8.1378 115.9120 66.5086 68.1396 176.5932 34 A 4.2825 8.3688 122.2383 55.0708 18.6007 179.6119 35 I 4.1085 7.5155 118.4791 64.7711 37.3407 178.6554 36 F 4.6919 8.1660 118.7629 60.3705 38.5007 177.8789 37 V 3.9875 8.3172 117.9822 63.9328 31.3498 177.0775 38 L 4.1244 8.0220 118.5633 55.9176 41.9983 176.9150 39 E 4.6813 8.0878 120.4572 56.4647 30.3799 175.6238 40 T 4.8317 8.8124 114.6150 60.0139 72.1198 174.5900 41 R 4.0038 8.6348 116.7884 58.8201 29.6912 177.0468 42 D 4.4791 8.0609 117.3440 54.6367 41.6338 175.4029 43 Y 5.1328 7.5877 116.4846 56.0829 39.1530 172.5524 44 R 5.1051 8.9602 123.0944 54.2161 32.3265 175.3320 45 L 4.1393 9.2394 127.8347 55.0926 42.0303 176.5194 46 S 4.7072 8.8273 120.2180 58.5036 65.1600 173.5901 47 D 4.6350 7.4156 118.2434 53.2933 44.4278 174.0970 48 V 4.8252 8.1911 123.4649 61.2436 34.8579 174.1809 49 K 4.6861 9.0695 128.1834 54.6675 35.8459 175.1140 50 E 4.7811 8.9866 126.9871 56.5693 30.3386 176.1229 51 I 4.8329 8.8963 116.0524 59.5872 41.0226 175.5740 52 D 4.9076 8.8882 121.4770 54.6777 42.4605 176.4376 53 S 4.7126 7.7212 111.3531 57.2431 65.7013 173.0828 54 Y 4.4287 8.8954 123.1574 56.2982 40.4317 176.6048 55 G 3.5503 7.7021 119.2509 47.0692 0.0000 172.8338 56 D 4.5968 8.8641 123.4685 52.7679 39.6397 175.5533 57 V 4.2027 7.7745 121.4183 60.9688 32.7551 175.1008 58 E 4.2531 8.4635 127.7615 56.0093 30.1730 176.2216 *60 K 4.3932 8.3555 121.4734 56.9228 33.3116 175.0228 61 G 4.1089 8.4157 115.4183 45.9765 0.0000 171.3243 62 K 5.3986 9.0533 121.3791 54.6959 37.3012 175.8594 63 V 4.8703 8.9811 121.8672 59.8474 34.3065 174.3278 64 A 5.0312 9.1478 125.4385 50.0216 22.5232 174.8010 65 V 4.3404 8.2432 120.9584 60.9639 34.0142 174.3335 66 F 5.1907 8.8176 126.7764 55.6890 41.7111 174.5647 67 E 4.6553 9.5479 124.3530 56.1901 30.9110 175.9569 68 T 5.3645 8.6369 113.3251 58.3201 72.5782 174.7457 69 E 3.9422 8.7514 118.7947 58.8684 29.6462 177.5102 70 Y 4.2118 7.5972 116.1853 57.9182 38.3481 173.5646 71 G 3.7794 7.6112 105.2339 42.9114 0.0000 170.8042 72 P 4.6871 0.0000 0.0000 62.6235 32.2705 176.0381 73 V 4.6744 8.6276 122.2884 61.1945 34.7221 173.8869 74 F 5.1045 9.6489 126.4733 55.7484 41.4855 174.3538 75 L 5.3363 9.2417 125.6901 53.6775 44.6689 174.3652 76 Y 5.2465 9.6751 124.7625 56.5456 40.3506 175.0113 77 V 4.7873 9.2740 123.6280 61.2562 35.3892 173.4837 78 Y 5.0315 8.8720 127.6775 55.5815 42.2224 173.5840 79 K 3.9800 8.8696 126.7985 52.8283 34.7243 175.8657 80 G 3.7611 7.3477 115.0597 44.9760 0.0000 172.3805 81 E 4.2326 8.2599 117.6464 57.6669 29.8552 177.5379 82 E 4.5247 8.3703 118.7556 55.9581 30.3344 178.0322 83 A 3.7381 8.2119 123.0417 55.0971 18.4270 180.0652 84 K 2.4800 6.9904 117.3729 58.9196 32.0813 178.4192 85 K 3.7313 7.6337 119.1774 59.6593 31.9679 178.5705 86 I 3.5641 7.4517 119.7666 64.0465 36.9648 178.1135 87 W 4.1747 8.2230 129.4393 60.5712 30.4797 178.1249 88 K 3.8865 8.7406 118.7752 59.3639 31.2508 179.4899 89 K 3.9157 7.8073 117.8754 59.2831 32.2925 179.1261 90 L 4.0535 8.1762 119.7144 57.8435 41.3650 179.1174 91 N 3.2906 7.8641 116.1828 55.8130 38.8144 176.3410 92 G 3.7207 7.5551 104.9035 45.6353 0.0000 174.3111 93 R 3.8014 7.6114 118.1025 57.7770 29.8127 177.0539 *97 V 3.9229 7.5670 111.1195 60.7428 33.5266 175.4896 98 S 4.5428 8.6211 117.0843 59.2613 63.7821 174.5405 99 I 4.6623 7.3712 119.0048 59.2581 40.9211 174.3597 100 R 5.0420 8.3623 126.4748 55.0953 33.4432 173.6955 101 S 4.8500 9.2392 119.4880 56.5014 65.5259 172.7862 102 V 5.0952 8.5391 125.8406 61.2016 34.4873 173.8070 103 L 4.7327 9.6262 130.5103 53.5420 44.0686 174.5021 104 D 5.1444 8.9579 125.7048 52.7474 41.5930 174.3252 105 L 4.8546 8.1642 125.0352 51.7681 44.7335 176.0806 106 P 4.6128 0.0000 0.0000 65.5054 31.2435 177.5475 107 N 4.9326 7.4622 112.2865 52.9773 39.1129 174.4931 *109 G 3.0914 7.7740 104.6480 45.9390 0.0000 172.3492 110 K 5.6491 9.0342 121.7612 54.8569 36.0789 174.9165 111 F 5.8417 9.7877 121.7676 55.3765 41.8216 173.8294 112 S 5.3918 9.2768 115.4899 57.5862 66.8637 173.2012 113 T 5.0746 9.1002 117.3813 61.4197 71.5040 171.8342 114 V 4.9199 7.8777 118.7421 61.1623 34.6443 174.9244 115 S 4.3879 9.2484 121.7323 57.4597 64.8664 173.6224 116 N 4.1240 10.0615 127.8537 54.3718 35.7756 175.0909 117 G 4.0046 8.2935 105.1546 44.8030 0.0000 172.7073 118 K 4.7223 7.9061 120.1693 54.5287 34.2062 176.0165 119 K 4.6990 8.8124 126.9188 56.4641 33.7703 175.6355 120 I 5.2626 9.0020 126.7883 59.6411 41.3296 174.3579 121 V 4.9952 9.2171 126.5918 61.0454 34.5784 174.0244 122 A 5.3787 8.8590 129.2008 49.9452 22.2211 174.6829 123 W 5.9291 9.2621 118.6938 54.7316 32.1349 173.9849 124 W 5.6675 8.3752 117.7112 55.2520 31.0408 174.4829 125 R 3.5187 9.3340 118.5607 56.4562 34.0339 175.9100 126 K 3.7230 8.0875 123.8299 58.0414 31.6302 175.5211 127 N 5.2400 8.7565 122.8661 52.4378 37.5999 173.4316 128 W 5.1177 8.3611 117.8357 55.5831 33.4578 174.2078 129 L 5.2553 8.9234 124.5946 53.4443 45.0681 175.0444 130 F 5.2309 8.8457 124.3679 55.5939 42.8658 174.1528 131 I 4.9831 8.9220 122.3144 59.5536 40.9212 174.3978 132 V 5.2986 9.4222 127.2229 61.1667 34.1318 174.1433 133 E 5.8969 9.2095 124.9348 53.5582 33.5127 174.6745 134 G 4.4009 8.2522 108.6708 46.3981 0.0000 174.1504 135 K 4.4357 8.9495 120.2607 58.9998 32.4445 177.6984 136 N 4.9108 7.8607 113.3460 53.1018 42.6643 174.5962 137 G 3.7041 8.7148 109.1205 45.0397 0.0000 175.5154 138 V 3.6296 7.7033 120.0838 66.0255 31.5795 177.8021 139 E 3.8622 8.0388 117.7915 59.3793 29.3219 179.0870 140 E 3.8798 7.8945 118.1066 59.3107 29.5203 179.0236 141 F 3.6839 8.2736 120.6792 61.0451 39.4399 177.2521 142 V 3.1493 7.9762 118.2820 65.7199 31.1663 177.8638 143 K 3.4311 7.6215 119.2370 59.3686 31.8976 178.0567 144 H 3.7902 7.6791 118.4428 59.1541 29.6750 177.2145 145 V 2.6211 6.8668 119.9368 65.8419 31.1282 177.2405 146 Y 4.0128 7.6329 116.6703 61.3954 37.4639 179.2220 147 R 3.8073 7.6189 117.2045 59.0757 29.9248 179.1449 148 V 3.5857 7.4971 118.0536 66.2752 31.3275 177.8423 149 Y 4.2873 7.4158 115.1369 60.9418 37.6999 177.6002 150 E 4.2474 8.2198 121.2471 58.2212 30.6402 178.3646 151 E 4.1930 7.4601 118.5374 54.6032 27.0973 177.2809 *153 K 4.0623 7.3141 118.3922 56.1706 33.8296 175.0681 154 Q 4.1757 8.8748 124.4701 56.3160 28.5886 175.9087 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 -7 K 8.30 4.29 0.00 1.61 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 -6 I 8.41 3.58 1.73 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 1.36 0.58 0.85 0.00 0.00 -5 H 8.56 4.78 0.00 3.12 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.70 4.54 0.00 3.12 3.17 0.00 5.56 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 -3 H 7.72 5.02 0.00 3.10 3.24 0.00 5.72 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 -2 H 8.18 4.41 0.00 2.96 2.83 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.38 4.81 0.00 2.86 2.95 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.28 4.29 0.00 3.21 3.63 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 P 0.00 3.42 0.00 1.18 0.85 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 26 P 0.00 4.88 0.00 2.32 2.04 0.00 3.33 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 27 E 9.19 4.49 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 28 A 8.03 4.35 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 29 Y 8.04 4.36 0.00 3.17 3.15 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 30 S 8.17 4.32 0.00 3.91 3.58 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 31 L 8.75 4.45 0.00 1.81 1.72 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.17 4.26 0.00 2.86 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 33 T 8.14 4.16 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 1.21 0.00 0.00 34 A 8.37 4.28 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.52 4.11 1.55 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.85 0.78 0.00 0.00 36 F 8.17 4.69 0.00 3.19 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 37 V 8.32 3.99 2.46 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 1.03 0.00 0.00 1.09 0.00 0.00 38 L 8.02 4.12 0.00 1.90 1.41 0.81 0.09 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 39 E 8.09 4.68 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 40 T 8.81 4.83 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 1.37 0.00 0.00 41 R 8.63 4.00 0.00 2.19 2.12 0.00 3.13 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.00 42 D 8.06 4.48 0.00 2.11 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 0.00 0.00 0.00 0.00 43 Y 7.59 5.13 0.00 3.07 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 44 R 8.96 5.11 0.00 1.79 1.89 0.00 3.60 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 45 L 9.24 4.14 0.00 1.54 1.66 0.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.83 4.71 0.00 3.75 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.42 4.63 0.00 2.61 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.19 4.83 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 0.79 0.00 0.00 0.89 0.00 0.00 49 K 9.07 4.69 0.00 1.82 1.58 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 50 E 8.99 4.78 0.00 1.93 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 2.34 2.34 0.00 51 I 8.90 4.83 2.16 0.00 0.00 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 1.47 0.98 1.04 0.00 0.00 52 D 8.89 4.91 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.71 0.00 4.15 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 54 Y 8.90 4.43 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 3.55 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 0.00 0.00 0.00 56 D 8.86 4.60 0.00 3.03 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 57 V 7.77 4.20 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 0.99 0.00 0.00 0.93 0.00 0.00 58 E 8.46 4.25 0.00 1.95 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 2.28 2.34 0.00 *60 K 8.36 4.39 0.00 1.93 1.88 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 61 G 8.42 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 62 K 9.05 5.40 0.00 1.71 1.65 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.40 7.81 63 V 8.98 4.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.40 0.00 0.00 64 A 9.15 5.03 1.10 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 0.00 0.00 65 V 8.24 4.34 1.76 0.00 0.00 0.00 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 0.34 0.00 0.00 66 F 8.82 5.19 0.00 2.72 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 67 E 9.55 4.66 0.00 1.87 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 2.28 2.38 0.00 68 T 8.64 5.36 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 69 E 8.75 3.94 0.00 1.80 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 1.87 1.47 0.00 70 Y 7.60 4.21 0.00 3.11 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 71 G 7.61 3.78 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 0.00 0.00 0.00 72 P 0.00 4.69 0.00 1.91 1.98 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 73 V 8.63 4.67 1.66 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 0.76 0.00 0.00 0.96 0.00 0.00 74 F 9.65 5.10 0.00 3.20 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.24 5.34 0.00 1.97 1.81 1.33 1.16 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 76 Y 9.68 5.25 0.00 2.97 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 77 V 9.27 4.79 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 1.03 0.00 0.00 1.22 0.00 0.00 78 Y 8.87 5.03 0.00 3.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.87 3.98 0.00 0.79 1.02 0.00 1.48 0.00 0.00 1.37 0.00 0.00 2.47 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.57 0.21 7.81 80 G 7.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.23 0.00 2.23 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 1.90 0.00 82 E 8.37 4.52 0.00 1.95 1.77 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 2.19 2.24 0.00 83 A 8.21 3.74 1.52 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 84 K 6.99 2.48 0.00 0.79 1.11 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.16 0.74 7.81 85 K 7.63 3.73 0.00 1.71 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 86 I 7.45 3.56 1.66 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.28 0.73 0.00 0.00 87 W 8.22 4.17 0.00 3.44 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.74 3.89 0.00 2.01 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.77 1.92 7.81 89 K 7.81 3.92 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 90 L 8.18 4.05 0.00 1.79 1.76 0.80 0.30 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 91 N 7.86 3.29 0.00 1.57 2.34 0.00 0.00 7.26 7.52 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 92 G 7.56 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 93 R 7.61 3.80 0.00 1.93 1.97 0.00 3.15 0.00 0.00 3.32 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 *97 V 7.57 3.92 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 0.73 0.00 0.00 0.87 0.00 0.00 98 S 8.62 4.54 0.00 3.84 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 99 I 7.37 4.66 1.88 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 1.25 1.39 0.93 0.00 0.00 100 R 8.36 5.04 0.00 1.75 1.68 0.00 3.06 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 101 S 9.24 4.85 0.00 3.96 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 0.00 102 V 8.54 5.10 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 1.16 0.00 0.00 0.99 0.00 0.00 103 L 9.63 4.73 0.00 1.83 1.76 0.95 0.92 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 0.00 104 D 8.96 5.14 0.00 3.08 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 0.00 105 L 8.16 4.85 0.00 1.63 1.51 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.61 0.00 2.08 2.19 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 107 N 7.46 4.93 0.00 2.61 2.68 0.00 0.00 6.98 7.53 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 *109 G 7.77 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 0.00 0.00 0.00 110 K 9.03 5.65 0.00 1.89 1.72 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.60 7.81 111 F 9.79 5.84 0.00 3.25 3.28 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 0.00 112 S 9.28 5.39 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 9.10 5.07 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 1.38 0.00 0.00 114 V 7.88 4.92 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 0.87 0.00 0.00 0.97 0.00 0.00 115 S 9.25 4.39 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 10.06 4.12 0.00 2.83 2.80 0.00 0.00 7.37 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 0.00 117 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.72 0.00 2.02 1.78 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.23 7.81 119 K 8.81 4.70 0.00 1.95 1.72 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.53 7.81 120 I 9.00 5.26 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 1.04 0.00 0.00 121 V 9.22 5.00 2.26 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 0.97 0.00 0.00 1.00 0.00 0.00 122 A 8.86 5.38 0.46 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 0.00 123 W 9.26 5.93 0.00 3.50 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 0.00 124 W 8.38 5.67 0.00 3.52 2.97 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 0.00 125 R 9.33 3.52 0.00 1.52 1.59 0.00 2.82 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.00 126 K 8.09 3.72 0.00 1.92 0.94 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.41 7.81 127 N 8.76 5.24 0.00 2.63 2.89 0.00 0.00 6.50 8.88 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 0.00 128 W 8.36 5.12 0.00 3.47 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 0.00 129 L 8.92 5.26 0.00 1.83 1.58 1.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.85 5.23 0.00 1.51 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 0.00 0.00 0.00 131 I 8.92 4.98 1.87 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.60 0.73 0.00 0.00 132 V 9.42 5.30 2.38 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 1.32 0.00 0.00 1.35 0.00 0.00 133 E 9.21 5.90 0.00 2.22 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 2.67 2.29 0.00 134 G 8.25 4.40 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 0.00 135 K 8.95 4.44 0.00 1.84 1.94 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.47 7.81 136 N 7.86 4.91 0.00 2.91 2.79 0.00 0.00 7.00 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 0.00 137 G 8.71 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 V 7.70 3.63 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 1.22 0.00 0.00 1.06 0.00 0.00 139 E 8.04 3.86 0.00 2.04 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 2.40 1.97 0.00 140 E 7.89 3.88 0.00 2.08 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 2.35 2.36 0.00 141 F 8.27 3.68 0.00 3.21 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 0.00 142 V 7.98 3.15 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 -0.37 0.00 0.00 0.95 0.00 0.00 143 K 7.62 3.43 0.00 1.78 1.73 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.37 7.81 144 H 7.68 3.79 0.00 2.88 2.55 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 6.87 2.62 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 0.39 0.00 0.00 0.11 0.00 0.00 146 Y 7.63 4.01 0.00 2.79 2.40 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 0.00 147 R 7.62 3.81 0.00 1.79 1.89 0.00 3.15 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 1.59 1.65 0.00 148 V 7.50 3.59 1.52 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 0.93 0.00 0.00 0.57 0.00 0.00 149 Y 7.42 4.29 0.00 2.83 2.87 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 0.00 150 E 8.22 4.25 0.00 2.03 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 2.25 2.17 0.00 151 E 7.46 4.19 0.00 2.41 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 2.34 2.18 0.00 *153 K 7.31 4.06 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.40 7.81 154 Q 8.87 4.18 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.32 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.