NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8644 8.2085 109.7305 45.0773 0.0000 175.9133 0 A 3.6796 8.8110 123.8937 55.1352 18.4974 177.4351 1 M 4.1296 8.7555 115.4343 56.5346 33.4466 174.9852 2 S 3.7818 7.7000 113.4485 59.1003 61.0301 173.8105 3 V 3.4381 7.9826 121.5715 66.0203 31.3530 177.5941 4 A 4.0605 7.8220 121.1841 54.4344 18.3369 178.1861 5 S 4.3189 7.8209 109.3254 59.6134 63.5677 174.9714 6 L 4.1625 7.3954 121.5642 53.8169 42.1340 175.2583 7 P 4.4238 0.0000 0.0000 62.4832 32.0847 178.3187 8 E 3.8236 8.8298 121.3013 58.1489 29.2788 180.4810 10 V 3.1657 8.4692 112.8094 65.0404 33.1642 175.6350 11 K 3.8179 7.9156 121.1499 59.5529 32.3648 178.6846 12 N 3.9941 8.1969 116.1503 56.3606 38.4498 176.4588 13 F 4.3316 7.7963 113.3212 57.8464 39.5569 175.9843 14 F 4.0231 8.1825 121.2450 56.3440 39.0903 174.3210 15 P 4.4525 0.0000 0.0000 62.5310 33.2415 177.3531 16 T 3.9483 8.7843 118.0829 67.0745 68.3752 176.8208 17 E 4.1410 8.1762 118.8218 59.5081 29.6202 179.0587 18 Q 4.1188 8.1120 118.5018 58.8638 28.8017 178.6425 19 L 4.1289 7.9914 119.9599 57.8813 41.4425 179.4511 20 E 3.9977 8.6678 118.1229 59.1462 29.7245 178.8265 21 F 4.3566 8.5856 120.9396 61.5268 39.3854 177.3967 22 S 4.0213 8.4436 114.8084 61.7494 62.4049 176.8819 23 S 4.1160 8.1535 117.3038 61.4477 62.5978 176.5453 24 S 4.3228 7.5222 115.3469 59.4204 63.0689 174.7614 25 I 3.6789 6.6564 124.6456 61.4346 37.2679 176.2099 26 T 4.2575 8.8060 116.3175 60.2191 70.1176 175.6483 27 A 4.0083 8.3539 124.2244 54.9411 18.4367 178.5713 28 D 4.5411 7.8943 113.8293 55.4110 40.5688 178.1177 29 E 4.0207 7.8595 120.6395 58.8596 29.3109 178.5903 30 K 3.7883 7.8434 119.5556 59.3045 32.1457 177.1160 31 P 4.1997 0.0000 0.0000 64.9968 31.3191 178.8275 32 V 3.5232 7.5708 117.1868 65.9639 31.4305 178.0690 33 L 3.3839 7.6087 118.1980 57.6262 41.4486 178.4971 34 H 3.9157 8.2432 118.4656 59.4359 29.5600 176.5779 35 E 3.9547 8.1554 119.8569 59.4699 29.7616 178.8622 36 V 3.8092 7.5928 117.6580 66.1240 31.6703 178.1695 37 F 4.6576 8.5123 117.8910 60.4394 38.5012 177.3816 38 Q 4.0486 8.1004 118.3904 58.5976 28.8524 177.9581 39 K 4.1437 7.9280 118.2594 58.8163 32.3539 175.6732 40 H 5.0808 8.1086 115.3013 54.0969 31.7350 173.2390 41 S 4.3680 8.5348 114.2149 60.9616 63.5627 175.5446 *46 C 4.3849 7.9115 116.3401 59.4510 29.5663 176.1428 47 G 3.8589 7.4577 108.3631 48.3890 0.0000 175.0215 48 E 4.4576 7.8681 121.2548 56.3115 29.9511 178.0403 49 M 4.1722 8.0996 118.9517 58.5870 31.9267 178.3933 50 I 3.7242 7.3055 119.9781 64.4530 37.3433 177.9222 51 D 4.3810 8.0817 118.9669 57.6021 40.9131 178.6781 52 E 4.0021 7.7026 118.7609 59.4528 29.5082 179.6123 53 V 3.7257 8.2753 118.6910 66.2609 31.6183 178.2928 54 S 4.4535 8.3500 114.8091 61.0732 62.4256 176.2709 55 K 3.8785 7.8128 121.9524 59.4917 31.9167 178.2927 56 K 4.5088 7.4283 115.8841 57.8262 33.1110 176.5855 57 H 4.4931 8.1429 117.5806 53.5789 31.2753 171.8270 58 P 4.3847 0.0000 0.0000 65.5922 31.3107 178.1179 59 E 4.0147 8.1612 116.7566 59.1577 29.4095 178.8466 60 L 4.1216 8.3451 120.1591 58.2996 42.0874 179.2128 61 G 4.1702 8.3167 106.9395 47.0129 0.0000 175.4751 62 K 3.9243 8.4225 122.2694 59.6192 32.2933 179.0886 63 R 4.0321 8.1078 118.2266 59.0915 30.0326 178.8353 64 L 3.1989 8.2736 120.0284 57.9603 42.0879 178.7684 65 A 3.9836 8.2512 120.9775 55.6815 18.2366 179.7832 66 T 3.8301 7.9825 114.1827 66.4826 68.4573 177.1651 67 V 3.5421 7.4222 119.8224 66.0761 31.3624 178.1895 68 L 3.9622 7.4073 116.8575 57.5625 41.5526 178.6982 69 E 4.1554 8.4330 119.6381 59.2448 29.6662 179.1794 70 G 3.6192 8.1739 105.6726 47.9890 0.0000 175.4893 71 N 4.5994 8.2644 118.9036 55.7806 38.4150 177.6913 72 K 3.9608 7.6928 120.3331 59.3299 32.1603 179.1454 73 K 3.9228 7.7178 118.4876 59.5752 31.8184 178.8644 74 R 4.1185 7.7530 117.1646 58.2959 30.1389 177.9819 75 L 4.3641 7.9969 118.0804 54.5905 41.9989 176.4333 76 D 4.3208 7.4255 119.9815 55.6460 41.0769 177.2631 77 G 3.9946 8.9091 111.2547 45.5655 0.0000 173.8410 78 L 4.1856 7.2769 119.8076 54.2383 42.3197 177.6850 79 S 4.4226 8.3092 116.5058 57.4758 65.1992 173.4842 80 P 4.1991 0.0000 0.0000 65.8123 31.0245 178.9011 81 A 3.9785 7.9193 118.8157 55.0889 18.3605 179.4317 82 A 4.0248 8.0953 119.4133 55.0939 18.3971 180.0995 83 V 3.5496 8.1559 117.2052 66.0796 31.6787 177.6418 84 E 3.9097 8.3597 119.2283 59.5576 29.3590 178.2519 85 Y 3.9341 8.1821 118.9806 60.7600 38.8729 177.8306 86 A 4.0317 8.5209 122.0423 55.2320 18.4240 179.7517 87 K 3.8723 8.2527 116.9744 59.4830 32.0834 179.7661 88 K 3.8594 7.7925 118.4362 59.0474 31.8780 179.1771 89 L 3.5808 7.5575 120.6777 58.2007 41.9525 179.2153 90 I 3.5986 7.8353 119.9189 64.3520 36.9785 177.7818 91 H 3.9788 8.2850 119.3404 59.3594 29.5932 176.8939 92 M 3.8814 7.9350 119.7914 58.7175 32.0786 178.3168 93 V 3.1349 7.5888 118.2571 66.0285 31.4485 178.1111 94 T 3.6798 7.9713 115.6607 66.9027 68.2681 176.5653 95 T 3.7281 7.6610 117.4894 67.0276 68.4344 176.5728 96 T 3.8966 7.9584 117.3303 66.7739 68.5948 176.4537 97 L 4.1821 8.1927 122.1684 58.1857 42.1059 178.4912 98 C 4.1547 8.3086 118.9770 62.6649 31.5047 175.8425 99 S 4.1765 8.2659 116.9232 61.4243 62.3367 176.3616 100 L 4.0138 8.4314 123.5244 58.5308 41.6047 179.2673 101 T 4.0792 8.0021 114.6138 66.4011 68.5937 176.3653 102 V 3.9927 7.8630 111.0807 60.4945 32.0330 176.2682 103 G 3.8640 7.6584 105.3895 46.5688 0.0000 174.1313 104 K 4.4666 7.8489 117.9449 53.9880 33.5578 175.4725 105 P 4.4818 0.0000 0.0000 62.5994 31.9814 175.8878 106 I 4.3328 8.1241 121.0195 59.6049 38.7264 174.7624 107 D 4.8070 8.6247 125.2907 52.7093 42.2179 175.5375 108 D 4.7621 8.6474 125.9434 53.7209 39.6916 177.6822 109 A 4.0201 8.3190 124.6227 55.8548 18.3507 179.9712 110 D 4.2678 8.1203 116.6130 57.3769 40.9202 178.7495 111 A 3.8972 7.9419 120.9210 55.0383 18.5055 179.6620 112 K 4.1077 8.1977 117.1117 59.6154 32.0343 179.8291 113 R 3.9819 8.2779 118.5033 59.2535 30.0367 178.9138 114 L 4.1710 7.9778 118.7843 58.1909 41.3960 179.1684 115 H 4.5601 8.6255 118.0201 59.4861 29.6690 177.0182 116 Q 4.0492 8.0921 120.1370 59.4512 29.2953 177.9403 117 E 4.1678 8.6641 119.7190 59.2723 29.5881 179.0745 118 F 3.5423 8.4077 120.8562 61.1815 39.2272 177.2586 119 Q 4.0480 7.8762 117.1089 57.9994 28.5188 177.7129 120 S 4.5328 7.2796 112.5186 57.2949 63.6972 174.3228 121 L 4.1080 6.6204 122.5533 54.0442 42.3587 177.5072 122 S 4.2317 8.0692 115.4846 58.4027 64.9765 175.4401 123 S 4.1654 8.4683 119.0365 61.8729 62.5782 176.7151 124 E 3.9166 7.9758 121.4993 59.3371 29.4770 178.4663 125 D 4.3206 7.9883 118.9857 57.1576 40.8300 178.8122 126 Q 3.5027 7.9478 118.5531 58.6790 28.6379 178.5152 127 A 4.0195 8.0239 121.6412 54.9441 18.3688 179.6030 128 A 3.9316 8.0450 119.3630 55.2253 18.4655 179.7565 129 L 3.9850 7.9468 117.5119 58.2164 41.4717 180.1126 130 R 4.2106 7.8362 116.6655 59.0625 30.0354 178.7755 131 K 4.1493 8.0787 118.8853 59.6167 32.3493 178.4546 132 N 4.6608 8.3103 115.2978 54.8038 40.2342 175.1953 133 N 5.1536 8.1404 117.4503 51.1550 39.1114 173.3938 134 P 4.6060 0.0000 0.0000 64.5077 32.2743 177.7061 135 D 4.5923 7.9741 117.1960 53.8928 40.1964 175.9710 136 I 4.1630 7.2397 121.1108 59.8723 38.7358 175.8012 137 K 4.0922 7.9948 128.3875 54.8127 32.0227 176.3011 138 F 4.0346 8.1372 124.7284 57.3502 38.4307 175.6551 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 G 8.21 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 0.00 0.00 0.00 0 A 8.81 3.68 1.27 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 1 M 8.76 4.13 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 2 S 7.70 3.78 0.00 3.86 3.94 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 3 V 7.98 3.44 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 0.75 0.00 0.00 0.85 0.00 0.00 4 A 7.82 4.06 1.25 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 0.00 0.00 0.00 5 S 7.82 4.32 0.00 3.99 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 6 L 7.40 4.16 0.00 1.62 1.57 0.58 1.05 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 7 P 0.00 4.42 0.00 2.20 1.98 0.00 3.61 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 2.14 2.09 0.00 8 E 8.83 3.82 0.00 1.97 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 2.32 2.26 0.00 10 V 8.47 3.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.03 0.00 0.00 11 K 7.92 3.82 0.00 1.92 1.74 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.37 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.40 7.81 12 N 8.20 3.99 0.00 2.33 2.51 0.00 0.00 7.01 7.43 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 13 F 7.80 4.33 0.00 3.17 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 14 F 8.18 4.02 0.00 3.17 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 15 P 0.00 4.45 0.00 2.32 1.97 0.00 3.53 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 16 T 8.78 3.95 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 1.30 0.00 0.00 17 E 8.18 4.14 0.00 2.19 2.24 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 2.37 2.51 0.00 18 Q 8.11 4.12 0.00 2.40 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 19 L 7.99 4.13 0.00 1.86 1.74 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.67 4.00 0.00 1.96 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 2.38 2.48 0.00 21 F 8.59 4.36 0.00 3.20 3.36 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 22 S 8.44 4.02 0.00 4.07 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 23 S 8.15 4.12 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.52 4.32 0.00 3.98 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 25 I 6.66 3.68 1.79 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.78 0.00 0.00 26 T 8.81 4.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 27 A 8.35 4.01 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 28 D 7.89 4.54 0.00 2.79 2.80 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 29 E 7.86 4.02 0.00 2.10 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 2.04 2.22 0.00 30 K 7.84 3.79 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.46 7.81 31 P 0.00 4.20 0.00 2.16 2.03 0.00 3.60 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 2.07 2.09 0.00 32 V 7.57 3.52 2.17 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 1.01 0.00 0.00 0.93 0.00 0.00 33 L 7.61 3.38 0.00 1.59 0.82 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.24 3.92 0.00 3.24 3.41 0.00 5.60 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 35 E 8.16 3.95 0.00 2.12 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 0.00 2.34 2.35 0.00 36 V 7.59 3.81 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 1.20 0.00 0.00 0.98 0.00 0.00 37 F 8.51 4.66 0.00 3.00 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 38 Q 8.10 4.05 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 39 K 7.93 4.14 0.00 1.94 1.72 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.65 7.81 40 H 8.11 5.08 0.00 3.10 3.24 0.00 5.84 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 41 S 8.53 4.37 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 C 7.91 4.38 0.00 2.90 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 47 G 7.46 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 0.00 0.00 0.00 48 E 7.87 4.46 0.00 2.01 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 2.33 2.24 0.00 49 M 8.10 4.17 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 50 I 7.31 3.72 2.01 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 1.50 0.82 0.92 0.00 0.00 51 D 8.08 4.38 0.00 2.70 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 52 E 7.70 4.00 0.00 2.14 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 0.00 2.38 2.36 0.00 53 V 8.28 3.73 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 1.08 0.00 0.00 1.04 0.00 0.00 54 S 8.35 4.45 0.00 3.94 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 55 K 7.81 3.88 0.00 1.79 2.11 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 56 K 7.43 4.51 0.00 2.00 1.86 0.00 1.94 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.45 7.81 57 H 8.14 4.49 0.00 3.14 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.38 0.00 2.19 2.10 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 59 E 8.16 4.01 0.00 2.11 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 2.42 2.33 0.00 60 L 8.35 4.12 0.00 1.50 1.86 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.32 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.42 3.92 0.00 1.85 2.05 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 R 8.11 4.03 0.00 2.36 2.36 0.00 3.29 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 64 L 8.27 3.20 0.00 1.77 1.75 0.38 1.28 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 65 A 8.25 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.98 3.83 4.44 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 1.23 0.00 0.00 67 V 7.42 3.54 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.76 0.00 0.00 68 L 7.41 3.96 0.00 1.73 1.67 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.43 4.16 0.00 2.17 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 2.31 2.38 0.00 70 G 8.17 3.62 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 0.00 0.00 0.00 71 N 8.26 4.60 0.00 2.94 2.85 0.00 0.00 7.05 6.49 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 72 K 7.69 3.96 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 73 K 7.72 3.92 0.00 1.89 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 74 R 7.75 4.12 0.00 2.06 2.16 0.00 3.22 0.00 0.00 3.43 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 75 L 8.00 4.36 0.00 1.70 1.71 0.92 0.87 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 76 D 7.43 4.32 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 0.00 0.00 0.00 78 L 7.28 4.19 0.00 1.64 1.64 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.31 4.42 0.00 4.03 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 80 P 0.00 4.20 0.00 2.17 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 81 A 7.92 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.10 4.02 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 83 V 8.16 3.55 2.22 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 1.00 0.00 0.00 1.05 0.00 0.00 84 E 8.36 3.91 0.00 2.09 2.18 0.00 0.00 0.00 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 2.34 0.00 85 Y 8.18 3.93 0.00 3.18 3.21 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 86 A 8.52 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.25 3.87 0.00 1.78 1.82 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.62 7.81 88 K 7.79 3.86 0.00 1.70 1.64 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 89 L 7.56 3.58 0.00 1.24 1.69 1.24 0.95 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 90 I 7.84 3.60 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.82 0.00 0.00 91 H 8.29 3.98 0.00 3.20 3.36 0.00 5.59 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 92 M 7.93 3.88 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 93 V 7.59 3.13 1.85 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 -0.15 0.00 0.00 0.57 0.00 0.00 94 T 7.97 3.68 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 1.02 0.00 0.00 95 T 7.66 3.73 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 1.15 0.00 0.00 96 T 7.96 3.90 4.62 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 1.44 0.00 0.00 97 L 8.19 4.18 0.00 2.09 1.87 1.16 1.00 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 98 C 8.31 4.15 0.00 2.68 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 99 S 8.27 4.18 0.00 4.07 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 0.00 100 L 8.43 4.01 0.00 1.88 1.91 0.98 0.77 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 0.00 101 T 8.00 4.08 4.73 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 1.17 0.00 0.00 102 V 7.86 3.99 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 0.81 0.00 0.00 1.05 0.00 0.00 103 G 7.66 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 0.00 0.00 0.00 104 K 7.85 4.47 0.00 1.79 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 105 P 0.00 4.48 0.00 2.05 1.99 0.00 3.65 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 2.03 2.11 0.00 106 I 8.12 4.33 1.89 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 1.32 0.86 0.95 0.00 0.00 107 D 8.62 4.81 0.00 2.60 2.57 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 0.00 108 D 8.65 4.76 0.00 3.04 2.91 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 0.00 109 A 8.32 4.02 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 0.00 110 D 8.12 4.27 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 111 A 7.94 3.90 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 0.00 112 K 8.20 4.11 0.00 1.98 1.95 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.67 7.81 113 R 8.28 3.98 0.00 2.00 2.00 0.00 3.34 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 114 L 7.98 4.17 0.00 1.36 1.14 0.16 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.63 4.56 0.00 3.63 3.69 0.00 5.79 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 0.00 116 Q 8.09 4.05 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 117 E 8.66 4.17 0.00 2.54 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 0.00 2.41 2.54 0.00 118 F 8.41 3.54 0.00 3.40 3.32 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 0.00 119 Q 7.88 4.05 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 120 S 7.28 4.53 0.00 4.00 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 0.00 121 L 6.62 4.11 0.00 1.21 1.28 0.18 0.60 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 0.00 122 S 8.07 4.23 0.00 3.96 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 0.00 123 S 8.47 4.17 0.00 3.83 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 0.00 124 E 7.98 3.92 0.00 1.99 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 2.33 2.36 0.00 125 D 7.99 4.32 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.50 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 127 A 8.02 4.02 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 0.00 128 A 8.05 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.95 3.99 0.00 1.66 1.29 0.81 1.06 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 0.00 130 R 7.84 4.21 0.00 1.99 2.10 0.00 3.31 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 131 K 8.08 4.15 0.00 1.89 2.02 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 132 N 8.31 4.66 0.00 2.91 3.04 0.00 0.00 6.84 7.58 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 0.00 133 N 8.14 5.15 0.00 3.22 2.80 0.00 0.00 6.59 8.13 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 0.00 134 P 0.00 4.61 0.00 2.21 2.22 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 135 D 7.97 4.59 0.00 2.80 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 0.00 136 I 7.24 4.16 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.49 -0.39 0.00 0.00 137 K 7.99 4.09 0.00 1.59 1.45 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.30 7.81 138 F 8.14 4.03 0.00 1.88 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 * Residues marked with a * may have inaccurate shift predictions.