NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9340 8.0544 120.3594 62.5617 33.2979 176.5351 7 I 3.2694 6.8011 117.0520 60.6106 38.6653 175.5513 8 L 3.5572 8.2038 120.8311 57.9036 41.7253 178.3996 9 D 4.2476 7.7321 118.4850 57.3777 40.7397 178.4086 10 C 4.0290 7.5682 116.7353 62.6016 28.0893 175.4938 11 E 4.1477 7.7858 120.4862 59.5831 29.1374 179.3817 12 K 3.9068 8.2056 119.5596 59.5666 32.1258 178.8414 13 K 3.9919 8.2269 118.7298 59.3047 31.9200 179.1122 14 L 4.0152 8.2954 120.6705 58.2873 42.1117 179.0466 15 L 3.9649 8.1811 119.0407 58.0258 41.6243 179.7073 16 T 3.8535 8.0762 115.5264 66.4685 68.3094 176.4588 17 A 3.9754 8.2715 122.9939 55.2310 18.0846 179.7113 18 I 3.2037 7.7591 118.1854 64.5986 37.0176 178.5706 19 Q 4.0807 8.0886 118.6690 58.3091 28.8540 176.9948 20 N 4.8327 7.6497 114.3271 51.5680 39.4236 174.0850 21 N 4.2452 7.8488 116.3615 54.2433 37.1691 176.0333 22 D 4.6328 8.0354 117.8691 53.3654 39.5272 175.3541 23 V 3.7229 7.8833 118.1479 63.6103 31.6634 177.5090 24 E 3.9906 8.1949 118.3167 59.4784 29.3058 179.3176 25 S 4.2928 8.3261 115.1604 61.5474 62.9398 176.6071 26 L 3.9865 8.0307 121.6935 57.9343 41.0948 179.3819 27 E 4.0224 8.2278 117.7731 59.0895 29.3745 179.1958 28 V 3.9134 7.0032 117.5340 65.6910 32.2178 177.9255 29 L 4.3971 8.3608 118.7206 55.8088 41.4076 176.7459 30 L 4.7716 7.3512 119.0525 52.8498 43.1901 175.9457 31 H 4.3002 8.7964 124.0565 55.8238 30.5054 175.6261 32 D 4.3906 8.6298 126.0637 57.4409 40.7175 177.3112 33 D 4.8510 8.0564 116.3665 53.8663 41.2441 176.4161 34 L 4.8304 7.3823 119.3028 55.2984 41.5938 176.1218 35 L 4.8751 8.0717 119.0477 52.9864 45.4895 175.3560 36 F 5.6717 9.1916 122.0248 55.8397 42.6051 174.0105 37 I 4.9558 8.8230 124.5287 59.6693 39.3535 175.3669 38 I 4.4074 8.2525 120.4787 58.4330 39.8480 174.8594 39 P 4.2840 0.0000 0.0000 65.7694 31.1383 178.1553 40 S 4.1594 7.9179 110.8588 59.5779 63.1719 175.0769 41 G 3.9420 8.3178 110.1610 44.6814 0.0000 173.3499 42 E 4.1102 7.8660 121.9360 56.5986 30.9707 175.5330 43 T 4.9440 8.4634 122.8388 62.1928 70.0692 173.9576 44 V 4.5432 9.2969 127.6941 61.3854 34.0854 175.2112 45 T 4.6738 8.2926 117.1951 60.1540 71.2592 175.4787 46 K 3.8614 8.6389 122.2478 59.7125 32.0327 178.0913 47 E 3.9459 8.1691 118.8763 59.7961 29.6075 178.8373 48 T 3.9023 7.7519 115.6173 66.5133 68.5437 176.3011 49 D 4.4166 8.4872 120.1587 57.5744 41.3625 178.4069 50 I 3.9128 8.3276 120.5427 64.3502 36.8676 178.2031 51 A 4.0078 8.1062 120.5998 55.0581 18.5706 179.2305 52 A 3.9431 7.9857 119.1660 55.6515 18.2570 179.5978 53 Y 4.0179 7.6699 113.6080 60.9222 37.9889 178.2186 54 S 4.4620 8.0810 114.5385 59.8514 63.2900 175.9018 55 S 4.3225 7.6937 116.2572 59.0008 62.9486 175.2093 56 G 3.8700 7.9997 109.7484 45.9048 0.0000 173.7365 57 K 4.4564 7.6667 116.0552 55.7504 33.1794 175.9992 58 I 4.4792 7.5827 121.0206 59.4694 39.7366 175.6626 59 A 4.6034 9.2901 128.9551 50.2378 20.3608 172.8575 60 L 4.6880 8.3214 119.3603 54.4002 42.1547 176.9860 61 R 4.3508 9.2438 124.1716 58.1708 31.1372 177.0640 62 A 4.6584 7.8216 119.5419 50.4706 22.8978 175.6543 63 V 4.6900 8.4576 120.9979 61.0904 33.1812 173.1142 64 V 4.4723 8.9230 126.9161 60.0966 33.5685 172.6888 65 P 5.2786 0.0000 0.0000 62.3968 33.1795 175.0547 66 S 4.4650 8.7363 113.8898 57.7273 66.7195 173.3608 67 D 4.6067 8.7002 117.2579 55.1983 39.1138 173.7026 68 Y 4.3920 8.1344 114.8052 58.5570 38.9430 176.8090 69 I 4.6912 9.1352 124.4820 59.6208 40.5699 174.6099 70 I 5.2359 8.5099 126.7011 59.5572 41.0924 175.0271 71 R 4.6709 9.0704 123.9514 54.5008 33.8964 174.1993 72 I 4.7740 8.4680 124.2068 59.7948 39.2530 175.6796 73 I 4.3895 8.7473 128.1334 60.2401 39.6212 177.1046 74 H 4.0588 8.3629 126.5334 57.2723 27.7365 175.5289 75 D 4.9733 9.0813 128.4542 54.3755 39.5217 175.1091 76 T 5.5865 8.2121 116.1090 62.3232 72.8170 172.9501 77 V 4.8007 9.1153 124.9821 61.1627 34.4631 174.1515 78 V 4.8113 8.9755 128.6475 61.5113 33.4267 174.5782 79 V 4.9712 9.1297 127.6063 61.1710 34.8788 173.8250 80 S 5.4335 9.3758 122.8261 56.5367 65.1007 172.9451 81 V 4.6018 8.6140 124.9913 60.4343 35.1538 172.8620 82 N 5.0550 8.8025 120.7129 53.1833 40.0543 174.1893 83 I 4.9401 9.0400 124.2303 59.5049 40.8284 173.9692 84 E 4.8795 9.2615 129.4965 55.1489 31.1095 174.7029 85 I 5.0684 9.0998 128.2408 59.4773 40.5713 174.6807 86 K 4.9424 10.3179 126.1097 53.6845 35.3998 176.7172 87 G 3.6200 7.4859 112.5052 45.8662 0.0000 169.5877 88 E 5.0976 8.2796 120.2268 54.4434 32.1987 176.2036 89 Y 4.3294 9.1357 129.4425 58.0071 39.8947 176.5887 *91 E 4.3847 8.4791 113.1861 55.7074 32.4236 177.4308 92 H 5.1064 8.6142 117.4011 55.2846 32.2500 173.1367 93 T 5.0138 8.4827 118.5789 62.0463 69.6767 174.0786 94 L 4.7982 9.2009 126.4622 52.8332 44.7428 176.3224 95 D 5.4502 8.4698 120.4846 53.4647 41.7712 173.2883 96 N 5.0232 8.7915 118.6048 52.1189 44.6784 174.5962 97 T 5.0964 8.1095 116.2311 62.3142 71.1713 173.9589 98 F 5.1211 9.1126 122.6402 55.6710 43.4553 174.0131 99 R 4.8204 9.0329 123.5586 55.6935 31.2844 174.6344 100 Y 4.9834 9.1222 125.0812 56.6228 40.3184 174.3468 101 L 5.3280 8.8927 125.3496 53.5018 44.9141 175.3267 102 R 5.1308 9.3333 124.2133 54.4919 34.8927 174.0897 103 V 4.8859 8.9606 123.2801 61.0755 34.0028 174.1392 104 W 5.5245 9.6504 128.3565 54.9948 31.8818 175.0058 105 K 5.2485 9.5800 124.7853 54.6805 35.2502 175.0685 106 L 4.1781 8.5220 129.6669 53.9218 41.7301 175.4363 107 F 4.5458 8.8734 128.0059 57.4071 42.5935 173.7992 108 D 3.7037 8.1308 124.2826 54.9934 39.4244 174.5806 109 G 3.8634 8.4463 104.1044 44.7752 0.0000 173.2603 110 N 5.0093 7.6968 116.1245 50.3920 41.5828 173.7341 111 W 4.9595 8.7639 119.8140 56.8705 29.7167 175.9657 112 K 5.1879 9.5770 124.6518 54.4001 35.4738 175.7908 113 V 3.7790 8.8107 125.4619 62.8860 31.9011 176.1819 114 I 4.1563 8.7645 121.7347 61.4902 39.6169 175.0853 115 A 4.7558 7.0108 122.5139 51.2603 22.5914 175.2001 116 G 4.4630 8.5892 106.3705 46.8025 0.0000 172.0930 117 S 5.2298 8.6042 113.3485 57.2825 66.9029 172.9962 118 C 4.1559 8.4058 120.9431 57.7656 33.6310 173.1707 119 T 4.5668 8.5981 124.0433 61.4896 70.1846 173.9813 120 A 4.0949 8.6870 129.3444 51.9662 19.2538 176.9622 121 I 3.7898 7.8110 124.3561 60.1124 37.3973 176.5541 122 G 4.2012 8.3501 115.1451 45.8078 0.0000 171.9949 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 6 V 8.05 3.93 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 0.73 0.00 0.00 0.88 0.00 0.00 7 I 6.80 3.27 1.11 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 0.58 0.19 0.48 0.00 0.00 8 L 8.20 3.56 0.00 1.49 1.43 0.70 0.16 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 9 D 7.73 4.25 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 10 C 7.57 4.03 0.00 2.27 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 11 E 7.79 4.15 0.00 1.92 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 2.16 2.35 0.00 12 K 8.21 3.91 0.00 1.95 1.92 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 13 K 8.23 3.99 0.00 2.06 1.90 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.65 7.81 14 L 8.30 4.02 0.00 2.19 2.08 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.18 3.96 0.00 1.75 1.70 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.08 3.85 4.38 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 1.27 0.00 0.00 17 A 8.27 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 18 I 7.76 3.20 1.95 0.00 0.00 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 1.07 0.65 0.97 0.00 0.00 19 Q 8.09 4.08 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 20 N 7.65 4.83 0.00 2.83 2.81 0.00 0.00 7.15 7.41 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 21 N 7.85 4.25 0.00 2.89 3.11 0.00 0.00 6.84 7.74 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 22 D 8.04 4.63 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.72 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 0.83 0.00 0.00 0.96 0.00 0.00 24 E 8.19 3.99 0.00 2.25 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 2.40 1.97 0.00 25 S 8.33 4.29 0.00 4.08 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 26 L 8.03 3.99 0.00 1.85 1.73 0.55 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.23 4.02 0.00 2.16 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 2.56 2.49 0.00 28 V 7.00 3.91 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 0.90 0.00 0.00 1.01 0.00 0.00 29 L 8.36 4.40 0.00 1.82 1.90 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.35 4.77 0.00 1.75 1.57 1.12 0.96 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 31 H 8.80 4.30 0.00 3.16 3.10 0.00 5.61 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 32 D 8.63 4.39 0.00 2.63 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 33 D 8.06 4.85 0.00 2.57 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 34 L 7.38 4.83 0.00 1.21 1.59 -0.24 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.07 4.88 0.00 1.50 1.52 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.19 5.67 0.00 3.07 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 37 I 8.82 4.96 1.89 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 1.31 0.75 0.91 0.00 0.00 38 I 8.25 4.41 1.79 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 1.40 1.25 0.87 0.00 0.00 39 P 0.00 4.28 0.00 2.06 2.20 0.00 3.56 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 2.03 2.24 0.00 40 S 7.92 4.16 0.00 3.98 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 41 G 8.32 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 0.00 0.00 0.00 42 E 7.87 4.11 0.00 2.03 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 2.33 2.31 0.00 43 T 8.46 4.94 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 1.22 0.00 0.00 44 V 9.30 4.54 2.39 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 1.24 0.00 0.00 1.05 0.00 0.00 45 T 8.29 4.67 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 1.20 0.00 0.00 46 K 8.64 3.86 0.00 1.78 1.83 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.53 7.81 47 E 8.17 3.95 0.00 2.08 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 2.39 2.42 0.00 48 T 7.75 3.90 4.41 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 1.24 0.00 0.00 49 D 8.49 4.42 0.00 3.19 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 50 I 8.33 3.91 2.03 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 1.55 0.68 0.97 0.00 0.00 51 A 8.11 4.01 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 52 A 7.99 3.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.67 4.02 0.00 3.16 3.04 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 54 S 8.08 4.46 0.00 4.00 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 55 S 7.69 4.32 0.00 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.00 3.87 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 0.00 0.00 0.00 57 K 7.67 4.46 0.00 1.42 1.66 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.30 7.81 58 I 7.58 4.48 1.66 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.07 0.94 0.00 0.00 59 A 9.29 4.60 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 60 L 8.32 4.69 0.00 1.64 1.71 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.24 4.35 0.00 1.69 2.01 0.00 3.15 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 62 A 7.82 4.66 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 V 8.46 4.69 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 0.76 0.00 0.00 0.96 0.00 0.00 64 V 8.92 4.47 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 1.04 0.00 0.00 0.95 0.00 0.00 65 P 0.00 5.28 0.00 2.01 1.98 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 66 S 8.74 4.46 0.00 3.88 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 67 D 8.70 4.61 0.00 2.78 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 68 Y 8.13 4.39 0.00 2.92 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 69 I 9.14 4.69 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.95 0.00 0.00 70 I 8.51 5.24 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.83 0.00 0.00 71 R 9.07 4.67 0.00 1.69 1.79 0.00 3.27 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 72 I 8.47 4.77 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 0.97 0.00 0.00 73 I 8.75 4.39 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.88 0.00 0.00 74 H 8.36 4.06 0.00 3.35 2.47 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.08 4.97 0.00 2.82 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 76 T 8.21 5.59 4.51 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 1.41 0.00 0.00 77 V 9.12 4.80 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 0.68 0.00 0.00 0.33 0.00 0.00 78 V 8.98 4.81 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 79 V 9.13 4.97 2.49 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 1.35 0.00 0.00 1.09 0.00 0.00 80 S 9.38 5.43 0.00 3.91 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 81 V 8.61 4.60 1.64 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 0.64 0.00 0.00 -0.11 0.00 0.00 82 N 8.80 5.05 0.00 2.78 2.76 0.00 0.00 6.87 7.11 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 83 I 9.04 4.94 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.83 0.00 0.00 84 E 9.26 4.88 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 2.28 2.29 0.00 85 I 9.10 5.07 2.14 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 1.29 1.47 0.98 0.00 0.00 86 K 10.32 4.94 0.00 1.69 1.70 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.39 7.81 87 G 7.49 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 88 E 8.28 5.10 0.00 1.90 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 2.26 2.38 0.00 89 Y 9.14 4.33 0.00 2.97 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 *91 E 8.48 4.38 0.00 1.82 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 2.13 1.92 0.00 92 H 8.61 5.11 0.00 3.24 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.48 5.01 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 94 L 9.20 4.80 0.00 1.63 1.67 0.89 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 95 D 8.47 5.45 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.79 5.02 0.00 2.26 2.23 0.00 0.00 6.97 8.31 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 97 T 8.11 5.10 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 98 F 9.11 5.12 0.00 3.02 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 99 R 9.03 4.82 0.00 1.90 1.80 0.00 3.33 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 100 Y 9.12 4.98 0.00 2.94 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 0.00 101 L 8.89 5.33 0.00 1.77 1.53 1.00 1.10 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 0.00 102 R 9.33 5.13 0.00 1.89 1.58 0.00 2.84 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 103 V 8.96 4.89 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 1.13 0.00 0.00 0.98 0.00 0.00 104 W 9.65 5.52 0.00 3.25 3.39 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 0.00 105 K 9.58 5.25 0.00 1.90 1.75 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.47 7.81 106 L 8.52 4.18 0.00 0.27 1.05 0.02 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.87 4.55 0.00 3.16 2.92 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 0.00 108 D 8.13 3.70 0.00 2.34 2.52 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 0.00 109 G 8.45 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 0.00 110 N 7.70 5.01 0.00 2.88 2.86 0.00 0.00 6.91 8.86 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 0.00 111 W 8.76 4.96 0.00 3.15 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 0.00 112 K 9.58 5.19 0.00 1.91 1.90 0.00 1.94 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.74 7.81 113 V 8.81 3.78 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 0.81 0.00 0.00 -0.48 0.00 0.00 114 I 8.76 4.16 1.71 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 1.28 0.49 0.77 0.00 0.00 115 A 7.01 4.76 1.18 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 0.00 0.00 0.00 0.00 0.00 116 G 8.59 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.60 5.23 0.00 3.88 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 0.00 118 C 8.41 4.16 0.00 2.07 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 0.00 119 T 8.60 4.57 4.30 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 1.18 0.00 0.00 120 A 8.69 4.09 1.17 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 0.00 121 I 7.81 3.79 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 0.83 0.00 0.00 122 G 8.35 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.