NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 V 4.3557 7.8976 114.0200 60.2627 33.9684 174.1084 37 P 4.7640 0.0000 0.0000 62.8011 31.7340 174.0457 38 A 4.7591 10.4093 126.6354 50.4797 23.3725 176.3139 39 R 4.7870 8.2712 118.1815 55.1376 33.2390 176.1832 40 I 4.5268 8.4426 121.0855 59.7633 39.7550 174.4118 41 I 4.6065 9.7155 130.2316 60.5197 36.3511 174.4303 42 C 4.9034 8.2668 126.2108 57.8421 32.8687 173.8937 43 G 3.8328 9.0134 115.9336 49.2323 0.0000 176.0535 44 C 4.3140 8.0333 112.9191 59.9173 27.4818 174.3080 45 G 4.0655 8.4332 114.7949 46.4479 0.0000 174.0398 46 N 3.9540 7.5462 122.0284 52.3586 38.6031 173.2241 47 V 5.4445 8.5537 125.5874 60.1677 34.1515 174.6061 48 I 4.4743 8.3217 120.7824 59.2193 41.2587 174.1092 49 E 5.4086 8.7028 122.1488 54.1046 31.1299 174.0805 50 T 4.0630 8.1626 122.3337 61.4636 72.3207 173.0269 51 Y 5.2135 9.5688 118.8878 55.9291 43.4900 178.3906 52 S 5.2375 8.1065 121.5787 59.5320 64.4086 180.6216 53 T 4.4851 8.5268 103.7903 59.8099 71.7136 173.9533 54 K 3.5487 8.6855 115.3958 57.6142 31.1680 173.4362 55 P 4.2492 0.0000 0.0000 63.5108 30.8550 175.7693 56 E 4.5616 7.8358 121.8728 54.6110 28.7489 173.6678 57 I 4.3730 8.0144 125.3420 59.2543 40.0867 174.0208 58 Y 5.3376 8.5729 124.9024 56.2008 39.3083 174.5894 59 V 3.8155 8.6903 125.1941 61.8314 32.7523 176.3909 60 E 4.1698 8.4654 130.7538 54.5225 27.9828 176.3378 61 V 3.4941 7.6660 117.9036 63.6418 30.1465 170.8246 62 C 4.6649 7.8999 126.1203 57.4985 30.9551 176.0551 63 S 4.7009 8.5678 113.8330 58.4511 62.6897 175.3858 64 K 4.7536 7.8691 120.8224 54.3067 33.3832 173.6008 65 C 4.9901 7.6339 131.5042 57.2970 31.2268 170.4214 66 H 4.1233 6.6574 129.2043 55.8124 35.1268 172.5831 67 P 4.5640 0.0000 0.0000 61.2538 30.0980 174.9675 68 F 5.0874 7.0069 118.1438 59.4962 45.1072 181.1857 *69 Y 4.4058 7.7018 124.2180 57.2988 36.7521 180.7088 *71 Q 4.1493 8.5049 121.5314 56.5853 29.2889 172.9522 72 Q 3.9597 8.6356 115.7003 58.3681 27.6044 174.0103 73 R 4.7889 8.6240 126.1152 55.7300 31.1756 173.9796 *74 F 4.7713 7.9908 121.8544 59.5013 38.7715 178.9706 75 V 3.2370 8.3542 111.3085 61.1511 27.6320 168.5799 76 D 4.3747 8.5559 122.9433 55.0908 44.4683 176.6015 77 T 3.3851 7.6948 108.5454 62.1523 64.6734 165.0000 78 E 4.6113 8.2877 128.1763 55.3285 29.5073 176.8767 79 G 4.3860 8.9150 110.5018 42.8995 0.0000 172.2229 80 R 4.6015 7.5548 116.1152 56.7277 31.9349 175.5197 81 V 3.9659 8.2908 119.2238 63.0689 31.5694 173.8854 82 E 5.7243 8.6272 128.3292 55.8590 32.8272 176.6322 83 R 4.3337 8.9814 130.1317 57.6023 31.0938 177.5316 *84 F 3.2668 9.0777 116.7727 59.4095 34.7209 177.4772 *85 Q 4.2136 8.4411 127.1222 54.3210 28.6122 171.8911 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 36 V 7.90 4.36 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 0.83 0.00 0.00 1.01 0.00 0.00 37 P 0.00 4.76 0.00 2.20 2.36 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 38 A 10.41 4.76 1.13 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 0.00 0.00 39 R 8.27 4.79 0.00 1.75 1.84 0.00 3.07 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.58 0.00 40 I 8.44 4.53 1.87 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 1.22 0.74 0.94 0.00 0.00 41 I 9.72 4.61 2.45 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 1.44 1.16 0.76 0.00 0.00 42 C 8.27 4.90 0.00 2.77 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 43 G 9.01 3.83 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 0.00 0.00 0.00 44 C 8.03 4.31 0.00 2.99 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 45 G 8.43 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 0.00 0.00 0.00 46 N 7.55 3.95 0.00 2.78 2.78 0.00 0.00 6.44 7.71 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 47 V 8.55 5.44 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 0.77 0.00 0.00 1.02 0.00 0.00 48 I 8.32 4.47 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.90 0.00 0.00 49 E 8.70 5.41 0.00 1.87 1.74 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 2.03 2.34 0.00 50 T 8.16 4.06 4.13 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 1.13 0.00 0.00 51 Y 9.57 5.21 0.00 2.87 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 52 S 8.11 5.24 0.00 4.01 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 53 T 8.53 4.49 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 1.21 0.00 0.00 54 K 8.69 3.55 0.00 1.98 2.05 0.00 1.46 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.40 7.81 55 P 0.00 4.25 0.00 2.18 2.09 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 56 E 7.84 4.56 0.00 1.84 1.70 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 1.52 1.85 0.00 57 I 8.01 4.37 2.02 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 1.25 1.06 0.94 0.00 0.00 58 Y 8.57 5.34 0.00 2.76 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 59 V 8.69 3.82 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 1.10 0.00 0.00 0.97 0.00 0.00 60 E 8.47 4.17 0.00 2.00 1.92 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 2.28 2.35 0.00 61 V 7.67 3.49 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 0.82 0.00 0.00 0.93 0.00 0.00 62 C 7.90 4.66 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 63 S 8.57 4.70 0.00 4.02 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 64 K 7.87 4.75 0.00 1.83 1.75 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81 65 C 7.63 4.99 0.00 3.12 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 66 H 6.66 4.12 0.00 3.11 2.98 0.00 5.77 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.56 0.00 1.68 1.83 0.00 3.44 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 68 F 7.01 5.09 0.00 3.03 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 *69 Y 7.70 4.41 0.00 2.33 1.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 4.15 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.83 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 72 Q 8.64 3.96 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.51 0.00 0.00 0.00 0.00 0.00 2.30 1.98 0.00 73 R 8.62 4.79 0.00 1.80 1.79 0.00 3.20 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 *74 F 7.99 4.77 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.35 3.24 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 0.82 0.00 0.00 0.93 0.00 0.00 76 D 8.56 4.37 0.00 2.78 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 77 T 7.69 3.39 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 1.21 0.00 0.00 78 E 8.29 4.61 0.00 1.94 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 2.33 2.30 0.00 79 G 8.91 4.39 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 0.00 80 R 7.55 4.60 0.00 1.96 1.60 0.00 3.04 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 81 V 8.29 3.97 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 0.78 0.00 0.00 0.93 0.00 0.00 82 E 8.63 5.72 0.00 2.08 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 2.06 2.02 0.00 83 R 8.98 4.33 0.00 1.91 1.05 0.00 3.36 0.00 0.00 3.26 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.00 *84 F 9.08 3.27 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 Q 8.44 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.