NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 C 4.5235 8.4549 120.6382 56.5484 44.6714 173.9551 *54 R 3.9550 8.7093 121.4883 55.2845 32.4238 176.1294 55 I 3.5461 8.0826 123.3163 61.0357 35.0195 173.9497 56 Y 4.7650 7.2627 120.9358 55.5165 37.8166 174.3924 57 P 4.4237 0.0000 0.0000 64.4159 32.2597 178.2207 58 K 4.4217 8.3137 116.8976 55.8811 32.4365 177.4878 59 G 3.5786 7.8452 108.7971 43.7194 0.0000 170.9447 60 P 3.9871 0.0000 0.0000 62.9056 31.4080 175.6119 61 L 4.2760 8.4450 127.1482 54.0028 43.1019 175.7406 62 L 3.4047 8.4604 129.2077 55.6247 41.7421 176.5066 63 V 4.2607 8.4275 119.8339 61.5171 33.8397 176.4708 64 L 4.8338 7.4518 119.1740 51.6426 45.0581 175.3895 65 P 4.2211 0.0000 0.0000 66.1794 30.9969 177.5308 66 E 4.4479 8.1322 116.4991 56.3737 29.3609 176.3810 67 K 3.8835 8.1030 115.7668 57.5997 30.4017 175.0559 68 I 4.8250 7.3024 119.0267 60.4746 39.0067 175.8943 69 Y 4.9983 9.0839 124.5568 56.1432 41.6183 174.4559 70 L 5.2807 8.4180 122.1224 52.6414 45.6970 174.6080 71 Y 4.8405 8.1339 125.3457 56.2566 42.6351 175.2494 72 S 4.7844 7.5301 117.5304 57.8488 65.2201 172.4334 73 E 4.2255 8.0995 121.7282 56.3656 29.7076 176.4032 74 P 5.1898 0.0000 0.0000 62.1263 33.7590 175.2930 75 T 4.4536 8.6081 110.9899 59.9821 70.8287 176.2860 76 V 3.6968 8.4742 121.0374 65.0893 31.4004 178.7880 77 K 4.0113 8.1072 120.2424 58.8198 31.6218 179.0328 78 E 4.0744 7.6881 117.0375 59.1187 29.7229 178.9673 79 L 4.3717 8.0042 118.5511 56.8596 41.4209 179.0993 80 L 3.9856 7.5284 119.2123 57.2925 41.7704 176.9988 81 P 4.1183 0.0000 0.0000 64.7136 31.2854 176.2606 82 F 4.5310 7.4710 117.9601 56.9911 40.0798 175.3939 83 D 4.5579 9.2061 125.5974 56.8910 41.8874 176.4113 84 V 4.8262 7.8122 117.8703 60.9425 34.5723 174.1837 85 V 4.6275 8.5992 126.8284 61.1316 34.7512 173.9037 86 I 4.5651 8.6170 129.1586 59.5254 39.8393 174.2222 87 N 4.4275 9.0286 127.6334 51.6127 40.0516 175.2761 88 V 4.7105 8.0678 122.7115 60.1885 32.2875 176.4330 89 A 4.6577 8.1500 122.3276 50.3299 21.4295 176.9956 90 E 4.0184 9.2003 124.9192 59.9872 29.2469 178.6926 91 E 4.0670 8.4210 114.0434 57.7087 30.1102 176.3261 92 A 4.2726 7.7983 124.1623 51.2286 18.8810 176.7807 93 N 3.9888 8.8272 119.7764 53.8753 39.0227 174.2489 94 D 4.5533 8.7035 122.5312 54.2305 41.0048 175.1756 95 L 4.3711 8.1148 126.5393 54.4238 42.1957 178.6060 96 R 3.2552 7.2774 120.8029 59.8775 29.9217 178.8092 97 M 4.0920 7.6735 115.8097 58.1733 32.1497 177.8933 98 Q 4.1178 7.4854 116.8981 57.6182 28.6999 176.9272 99 V 4.3401 7.4484 117.3553 59.0924 31.5476 173.8917 100 P 4.2713 0.0000 0.0000 65.2392 31.7979 177.5582 101 A 4.4907 7.8710 120.9393 51.8507 18.8246 176.3122 102 V 4.5442 7.2286 116.7699 61.8849 34.3325 175.8919 103 E 4.2808 9.1906 127.9246 56.1314 29.3173 173.9896 104 Y 4.8607 8.2990 125.3871 56.4445 40.2952 173.9428 105 H 5.0399 8.9213 124.0342 54.1497 32.0906 172.3926 106 H 5.2608 8.9087 122.0076 54.5791 32.6607 171.9750 107 Y 4.2761 9.1332 123.6682 55.4311 40.4075 176.7814 108 R 4.5981 8.0523 128.1874 55.1994 28.2492 177.4247 109 W 4.5922 7.9390 120.4927 57.0598 30.8976 177.5278 110 E 4.9404 9.2608 123.9843 54.5638 31.5806 176.7464 111 H 4.4245 8.7866 116.8770 57.7358 28.7203 175.9167 112 D 4.9520 7.7988 118.3046 52.9279 39.7454 176.1062 113 S 4.4255 7.7840 115.2287 58.9248 64.0330 175.2969 114 Q 4.3527 8.1287 123.1517 55.0603 27.1531 176.7580 115 I 3.4228 7.2782 115.5491 63.0294 37.7471 177.9670 116 A 3.8770 8.2370 123.0389 54.8998 17.8357 179.4764 117 L 4.0157 7.2475 115.5006 58.2445 42.1721 179.2176 118 D 4.6986 8.0302 116.8458 56.1191 40.6571 178.6565 119 L 3.6832 7.4303 120.5739 56.8305 41.5646 177.1308 120 P 4.4538 0.0000 0.0000 65.8820 31.3518 178.7008 121 S 4.1703 8.0293 113.0095 61.6419 63.0120 176.6063 122 L 3.7374 7.8093 121.7370 58.0239 41.3189 179.8571 123 T 4.2407 8.2248 109.6909 64.7275 68.6138 176.8729 124 S 4.2978 8.2034 118.1742 61.4957 62.7229 176.3371 125 I 3.6691 7.8512 122.5441 64.5144 36.9095 178.5878 126 I 3.6152 7.6440 120.0492 64.6610 36.8951 177.9921 127 H 4.0911 8.8701 120.6017 58.6341 29.1418 177.1421 128 A 3.9681 8.3814 122.5984 54.9478 18.0966 179.4196 129 A 4.0109 7.9718 121.0728 54.5939 18.6073 179.8738 130 T 3.9041 7.6715 108.3451 64.8596 68.7720 177.2425 131 T 3.9274 7.4549 111.1312 64.1765 68.9552 175.1654 132 K 4.2976 7.5711 119.1148 55.3817 31.9568 176.5783 133 R 3.7668 7.5038 116.5798 57.0756 28.4548 176.2916 134 E 4.4655 8.0365 115.4068 55.7364 31.5667 176.1980 135 K 4.3411 9.1122 124.1232 56.0721 33.6086 175.5540 136 I 5.0497 8.9035 128.1370 59.3926 40.5074 174.0988 137 L 4.6481 8.6827 128.7909 53.0181 44.6610 174.9170 138 I 4.8701 8.3650 126.9911 59.7851 39.8224 174.2345 139 H 5.3558 8.8420 122.6561 53.3810 31.8810 172.4832 140 S 4.6845 8.3669 114.7897 58.8712 65.6626 174.9539 141 Q 4.2677 9.0035 115.7747 58.3204 29.7681 178.3988 142 C 4.8711 8.3345 111.9894 55.6224 41.8980 173.8900 143 G 4.4227 8.1028 107.5073 46.6564 0.0000 174.5441 144 L 4.5625 8.2192 118.0282 55.7839 43.4687 177.4770 145 S 4.6551 7.3789 110.4445 60.1017 63.5577 175.9708 146 R 4.1319 7.7611 119.6196 59.4527 30.4483 179.3385 147 S 4.1399 8.1435 113.4080 61.3453 63.0917 176.1086 148 A 4.0384 8.0581 123.9548 55.0803 18.1119 179.2832 149 T 3.8696 8.0682 114.2832 66.9594 68.5886 176.3012 150 L 4.0782 8.0335 121.5918 58.2760 41.9852 179.0783 151 I 3.7543 7.8013 119.4609 64.5668 37.0871 178.1117 152 I 3.7657 8.2415 120.8320 64.6718 36.8677 178.0384 153 A 4.2711 8.4565 121.5319 55.4543 18.1157 178.7421 154 Y 4.2907 8.2394 117.9519 61.3827 38.9357 178.5993 155 I 3.6901 8.4156 120.7480 64.5642 36.9059 178.3464 156 M 4.3847 8.3189 120.8925 58.1204 31.7454 178.4023 157 K 3.6996 7.8613 119.8314 59.0702 32.2055 177.5751 158 Y 4.4475 7.5805 115.4457 58.6787 38.2239 175.9382 159 H 4.5715 7.9052 115.9346 54.5340 30.4824 173.4476 160 N 4.1320 7.5691 117.5826 54.9258 37.4658 172.7535 161 L 4.8982 7.4490 117.7442 52.1662 46.0254 177.2188 162 S 4.3925 8.2363 115.4893 57.6414 65.0502 174.8021 163 L 3.9348 8.5161 123.8546 58.5878 41.6492 179.0242 164 R 3.9077 7.9641 117.6052 60.1135 30.0532 178.0838 165 H 4.3764 8.3379 115.7328 58.7593 28.6804 178.0847 166 S 4.1470 8.4391 117.2995 61.7341 62.6710 175.7651 167 Y 4.0946 8.3100 122.4196 61.1660 38.5921 178.0136 168 D 4.3701 8.5007 119.5950 57.3326 40.8115 178.7996 169 L 3.9155 7.9156 120.7259 58.0538 42.0683 178.8473 170 L 3.8837 7.7720 120.2544 57.9850 41.8839 178.7479 171 K 3.5076 8.0516 120.2050 59.3506 31.7496 178.8563 172 S 4.1268 7.7465 113.6103 60.4866 62.9862 175.0890 173 R 4.4160 7.3828 118.6480 55.8059 31.9277 175.8304 174 A 4.6485 8.6929 124.5743 50.0994 18.8469 176.5271 175 D 4.6382 8.3764 119.6454 55.3955 40.2123 177.3502 176 K 4.3864 7.8538 114.9684 56.4810 32.5046 176.9376 177 I 3.9478 7.2730 114.2497 61.1242 38.2472 176.4141 178 N 5.0751 8.2743 121.2163 51.0649 39.0061 171.6157 179 P 4.3980 0.0000 0.0000 62.3673 32.6929 177.6804 180 S 4.3646 8.4533 118.4481 58.2418 64.6774 175.8109 181 I 3.6958 8.3739 125.3722 64.6516 37.0954 178.7349 182 G 3.9079 8.3043 105.9583 48.2461 0.0000 175.4368 183 L 3.9936 7.8601 120.7049 57.3804 41.7642 179.2524 184 I 3.6001 8.0814 120.2810 64.5070 36.9846 178.4971 185 F 4.1938 8.4477 118.8299 60.5771 38.8219 177.7692 186 Q 4.0704 8.1521 117.5280 58.9927 28.3806 178.9340 187 L 4.1953 8.1754 120.2241 57.8405 41.6457 179.3591 188 M 4.0733 8.1734 118.9057 58.2988 31.8717 178.4402 189 E 4.0022 8.3705 118.7240 59.2994 29.7126 179.0426 190 W 4.5772 8.1944 128.0524 60.8570 30.1938 177.5368 191 E 3.7824 8.5459 119.1518 59.0113 28.9917 179.0766 192 V 3.4946 7.5771 117.6634 65.8168 31.4757 177.5843 193 A 3.9149 7.5864 119.0163 55.4869 18.3456 179.3825 194 L 3.6573 7.1290 115.4493 57.5126 41.6131 178.8828 195 N 4.5094 7.3277 113.6392 54.4561 38.9472 176.7165 196 A 4.0278 7.7698 123.7856 54.7402 18.5219 178.0574 *197 K 4.0678 7.9391 122.9777 54.7844 32.5730 180.9961 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 47 C 8.45 4.52 0.00 2.96 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 *54 R 8.71 3.95 0.00 2.16 2.06 0.00 3.40 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 55 I 8.08 3.55 1.74 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 1.30 0.25 0.39 0.00 0.00 56 Y 7.26 4.77 0.00 3.24 3.35 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 57 P 0.00 4.42 0.00 2.23 2.22 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 58 K 8.31 4.42 0.00 2.09 1.90 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 0.98 7.81 59 G 7.85 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 0.00 0.00 0.00 60 P 0.00 3.99 0.00 2.19 2.00 0.00 3.40 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.25 0.00 61 L 8.45 4.28 0.00 1.92 1.50 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.46 3.40 0.00 1.04 1.34 0.50 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.43 4.26 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 0.70 0.00 0.00 0.88 0.00 0.00 64 L 7.45 4.83 0.00 1.61 1.77 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.22 0.00 2.24 2.35 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 66 E 8.13 4.45 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 67 K 8.10 3.88 0.00 2.09 2.15 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 68 I 7.30 4.82 1.75 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.62 0.78 0.00 0.00 69 Y 9.08 5.00 0.00 2.93 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 8.42 5.28 0.00 1.66 1.32 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.13 4.84 0.00 2.80 2.60 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 72 S 7.53 4.78 0.00 3.96 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 73 E 8.10 4.23 0.00 2.03 1.87 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 2.33 2.30 0.00 74 P 0.00 5.19 0.00 2.15 2.11 0.00 3.71 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 75 T 8.61 4.45 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 1.25 0.00 0.00 76 V 8.47 3.70 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 0.73 0.00 0.00 0.90 0.00 0.00 77 K 8.11 4.01 0.00 1.79 1.90 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.48 7.81 78 E 7.69 4.07 0.00 2.30 2.05 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 2.36 2.40 0.00 79 L 8.00 4.37 0.00 2.09 1.81 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.53 3.99 0.00 1.66 1.70 0.90 1.04 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 81 P 0.00 4.12 0.00 1.42 1.86 0.00 3.73 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.69 0.00 82 F 7.47 4.53 0.00 3.16 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 83 D 9.21 4.56 0.00 2.72 2.71 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 84 V 7.81 4.83 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 1.12 0.00 0.00 0.95 0.00 0.00 85 V 8.60 4.63 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 0.62 0.00 0.00 0.91 0.00 0.00 86 I 8.62 4.57 1.64 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 0.97 0.38 0.55 0.00 0.00 87 N 9.03 4.43 0.00 2.36 2.47 0.00 0.00 6.65 7.72 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 88 V 8.07 4.71 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 -0.14 0.00 0.00 0.80 0.00 0.00 89 A 8.15 4.66 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 90 E 9.20 4.02 0.00 2.19 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 2.36 2.47 0.00 91 E 8.42 4.07 0.00 2.15 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 2.43 2.29 0.00 92 A 7.80 4.27 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 93 N 8.83 3.99 0.00 2.72 2.83 0.00 0.00 7.13 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.70 4.55 0.00 2.77 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 95 L 8.11 4.37 0.00 1.52 1.45 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.28 3.26 0.00 1.78 1.79 0.00 3.09 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 97 M 7.67 4.09 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 98 Q 7.49 4.12 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 99 V 7.45 4.34 2.05 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 0.79 0.00 0.00 0.94 0.00 0.00 100 P 0.00 4.27 0.00 2.19 2.20 0.00 3.73 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 1.97 1.94 0.00 101 A 7.87 4.49 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 0.00 102 V 7.23 4.54 2.31 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 0.97 0.00 0.00 1.04 0.00 0.00 103 E 9.19 4.28 0.00 1.99 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 2.27 0.00 104 Y 8.30 4.86 0.00 2.89 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 0.00 105 H 8.92 5.04 0.00 2.94 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.91 5.26 0.00 3.20 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 9.13 4.28 0.00 2.13 2.27 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 0.00 108 R 8.05 4.60 0.00 1.68 1.89 0.00 3.16 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.46 0.00 109 W 7.94 4.59 0.00 3.52 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 0.00 110 E 9.26 4.94 0.00 2.01 1.87 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 2.28 2.30 0.00 111 H 8.79 4.42 0.00 3.14 3.39 0.00 5.83 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 0.00 112 D 7.80 4.95 0.00 2.73 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 0.00 113 S 7.78 4.43 0.00 3.58 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 0.00 114 Q 8.13 4.35 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 115 I 7.28 3.42 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.07 -0.49 0.00 0.00 116 A 8.24 3.88 1.45 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 0.00 0.00 0.00 117 L 7.25 4.02 0.00 1.88 1.80 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.03 4.70 0.00 3.24 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 0.00 119 L 7.43 3.68 0.00 0.59 0.13 0.13 0.78 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 0.00 120 P 0.00 4.45 0.00 2.25 2.28 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.59 0.00 121 S 8.03 4.17 0.00 3.95 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 0.00 122 L 7.81 3.74 0.00 1.58 1.46 0.24 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.22 4.24 4.77 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 1.34 0.00 0.00 124 S 8.20 4.30 0.00 4.35 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.85 3.67 1.90 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 1.15 0.98 0.75 0.00 0.00 126 I 7.64 3.62 2.10 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 1.27 1.04 0.40 0.00 0.00 127 H 8.87 4.09 0.00 1.93 2.95 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.38 3.97 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 0.00 129 A 7.97 4.01 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 0.00 130 T 7.67 3.90 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 0.00 131 T 7.45 3.93 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 1.05 0.00 0.00 132 K 7.57 4.30 0.00 1.72 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.55 7.81 133 R 7.50 3.77 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 134 E 8.04 4.47 0.00 2.08 1.87 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 2.44 2.40 0.00 135 K 9.11 4.34 0.00 1.76 1.59 0.00 1.39 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.95 1.37 7.81 136 I 8.90 5.05 1.88 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 1.10 0.86 0.83 0.00 0.00 137 L 8.68 4.65 0.00 0.27 0.50 0.63 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.36 4.87 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.25 0.84 0.00 0.00 139 H 8.84 5.36 0.00 3.56 3.29 0.00 5.40 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.37 4.68 0.00 3.89 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 0.00 141 Q 9.00 4.27 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 142 C 8.33 4.87 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.10 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 0.00 0.00 0.00 0.00 144 L 8.22 4.56 0.00 1.80 1.74 1.00 0.75 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 0.00 145 S 7.38 4.66 0.00 3.96 3.86 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 0.00 146 R 7.76 4.13 0.00 2.02 2.40 0.00 3.60 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 147 S 8.14 4.14 0.00 4.02 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 0.00 148 A 8.06 4.04 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 0.00 149 T 8.07 3.87 4.58 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 1.16 0.00 0.00 150 L 8.03 4.08 0.00 1.96 1.87 0.87 0.65 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 0.00 151 I 7.80 3.75 2.04 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 1.48 0.65 0.96 0.00 0.00 152 I 8.24 3.77 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.85 1.05 0.00 0.00 153 A 8.46 4.27 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 0.00 154 Y 8.24 4.29 0.00 3.13 3.33 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 0.00 155 I 8.42 3.69 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.22 0.92 0.00 0.00 156 M 8.32 4.38 0.00 1.99 2.48 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.47 0.00 157 K 7.86 3.70 0.00 1.67 1.01 0.00 1.63 0.00 0.00 0.80 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.63 1.00 7.81 158 Y 7.58 4.45 0.00 2.24 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 7.91 4.57 0.00 3.29 3.35 0.00 6.00 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 0.00 160 N 7.57 4.13 0.00 2.68 2.78 0.00 0.00 6.91 7.66 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 0.00 161 L 7.45 4.90 0.00 1.72 1.55 0.98 0.86 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 0.00 162 S 8.24 4.39 0.00 4.12 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 0.00 163 L 8.52 3.93 0.00 1.89 1.71 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 164 R 7.96 3.91 0.00 1.88 1.88 0.00 3.25 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 165 H 8.34 4.38 0.00 3.25 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.44 4.15 0.00 4.14 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 0.00 167 Y 8.31 4.09 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.50 4.37 0.00 2.99 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 0.00 169 L 7.92 3.92 0.00 1.91 1.84 0.93 0.33 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 0.00 170 L 7.77 3.88 0.00 1.81 1.53 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.05 3.51 0.00 1.17 1.49 0.00 1.57 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 172 S 7.75 4.13 0.00 4.08 4.15 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 0.00 173 R 7.38 4.42 0.00 1.90 1.97 0.00 3.16 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 174 A 8.69 4.65 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 0.00 175 D 8.38 4.64 0.00 2.71 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 0.00 176 K 7.85 4.39 0.00 1.87 1.79 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.41 0.99 7.81 177 I 7.27 3.95 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 0.98 0.00 0.00 178 N 8.27 5.08 0.00 2.68 2.75 0.00 0.00 7.23 7.35 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 0.00 179 P 0.00 4.40 0.00 2.13 2.06 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 180 S 8.45 4.36 0.00 3.93 3.82 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 0.00 181 I 8.37 3.70 2.02 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 1.61 0.59 0.94 0.00 0.00 182 G 8.30 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 0.00 0.00 0.00 183 L 7.86 3.99 0.00 1.87 1.67 0.95 0.60 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 0.00 184 I 8.08 3.60 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.82 0.58 0.00 0.00 185 F 8.45 4.19 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.15 4.07 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 187 L 8.18 4.20 0.00 1.90 1.78 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 188 M 8.17 4.07 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 189 E 8.37 4.00 0.00 2.32 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 2.38 2.39 0.00 190 W 8.19 4.58 0.00 3.46 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 0.00 191 E 8.55 3.78 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 192 V 7.58 3.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 193 A 7.59 3.91 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 0.00 194 L 7.13 3.66 0.00 1.22 1.36 0.13 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 195 N 7.33 4.51 0.00 2.85 2.79 0.00 0.00 6.97 7.23 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 0.00 196 A 7.77 4.03 1.31 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 0.00 0.00 0.00 *197 K 7.94 4.07 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.