NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 62 A 4.2372 8.1233 122.4521 51.9596 20.5578 175.3996 63 M 4.7695 7.8336 119.7093 52.9174 35.7211 174.1533 64 F 4.7471 9.3451 121.5931 55.5786 43.0256 173.7713 65 Q 4.3027 9.0137 126.1321 55.7213 29.3805 175.5972 66 I 4.3596 8.1281 118.0113 59.9046 39.0196 174.9064 67 G 3.7786 6.9293 108.7576 45.1416 0.0000 172.0512 68 K 3.9683 8.5988 120.7546 57.9030 32.3854 176.3508 69 M 3.3748 8.9043 123.6270 55.9673 29.7133 175.6248 70 R 5.2262 7.5634 117.9415 54.7515 33.9567 174.1050 71 Y 5.1363 9.0542 120.4667 56.2232 42.8803 174.3063 72 V 4.7167 8.9553 122.9949 62.0164 33.3565 174.5984 73 S 5.2622 9.2722 122.9746 56.5260 65.1514 172.5987 74 V 4.9992 8.6875 126.1840 61.1358 33.6577 174.6940 75 R 4.7304 8.6784 122.5369 55.1485 33.5537 172.9361 76 D 5.1536 8.6060 119.5955 52.9082 42.6162 175.4454 77 F 4.6889 9.3927 128.1484 56.9084 40.8717 174.4436 78 K 3.7654 9.3590 129.3631 57.5691 29.2062 176.9622 79 G 3.9541 8.4701 104.6096 45.4706 0.0000 173.9585 80 K 4.7149 8.1398 119.5621 54.3248 35.1546 175.5010 81 V 4.6379 8.4250 123.9772 62.1510 33.0555 174.9971 82 L 4.9940 8.9134 126.1763 52.9896 46.0884 175.5760 83 I 4.3940 9.0692 123.8391 59.7413 39.4417 173.9155 84 D 5.2879 9.2490 128.0836 52.3549 43.7730 174.7211 85 I 4.8479 8.6837 127.2872 59.8617 39.3811 174.6336 86 R 5.0224 8.8704 126.3845 55.1711 34.1489 173.6941 87 E 4.9641 9.1756 124.0531 56.2658 31.0127 175.2802 88 Y 5.1907 9.1604 120.5175 56.2395 41.5196 175.2544 89 W 4.7859 9.5224 122.1162 55.6813 32.3525 174.4918 90 M 5.1655 8.6044 121.2110 54.0594 33.3977 175.6668 91 D 4.8194 9.0865 126.5631 51.8716 41.1585 175.1446 92 P 4.3151 0.0000 0.0000 64.8037 31.3105 177.2218 93 E 4.3168 8.4148 116.1643 56.0189 29.7128 176.7422 94 G 3.9552 8.5552 107.8291 45.2089 0.0000 173.3322 95 E 4.5168 8.8348 119.8350 55.3671 31.3872 175.4720 96 M 4.9372 8.4781 122.9459 55.0591 33.1180 175.8797 97 K 4.9315 9.4205 122.8726 53.5556 36.3177 173.9521 98 P 3.5421 0.0000 0.0000 62.8266 31.8552 176.5809 99 G 4.1487 8.5238 112.0287 45.1794 0.0000 173.7320 100 R 4.1759 8.7085 117.7491 58.4849 30.4300 177.6049 101 K 4.3495 7.8853 118.2037 54.9771 31.4508 176.0013 102 G 4.4307 7.7870 110.1683 45.3920 0.0000 169.3139 103 I 4.7704 8.6724 119.5501 59.1803 41.6947 173.9279 104 S 4.9520 8.7527 124.6858 57.0350 64.3004 173.3211 105 L 5.0679 9.0681 125.7700 52.8534 44.4043 176.5712 106 N 4.9421 9.2328 120.4017 51.2158 38.9758 174.3564 107 P 4.3867 0.0000 0.0000 65.9113 31.2371 178.5431 108 E 3.9629 8.2752 117.5412 59.4565 29.5852 178.7743 109 Q 4.0853 8.9712 118.5849 58.4415 28.7553 178.2816 110 W 4.4200 8.6077 129.8550 60.5740 30.7469 177.9731 111 S 3.8295 8.4468 113.3329 61.4241 61.5774 176.2325 112 Q 4.1150 7.9097 119.9099 58.6289 28.8348 177.8776 113 L 4.0441 8.2457 121.8835 58.2864 42.1398 179.3573 114 K 3.7358 7.7388 118.2287 59.2541 31.6119 179.2390 115 E 3.9425 7.9285 118.2594 59.0782 29.5940 178.4879 116 Q 4.2572 7.7644 115.8196 56.4027 28.9315 177.8168 117 I 3.6215 7.5499 122.6165 64.4456 37.1682 177.9810 118 S 4.0449 7.9665 113.2968 61.6277 62.1568 175.8647 119 D 4.3708 7.9892 121.0210 57.2772 40.5580 178.5546 120 I 3.7084 7.9912 120.6023 64.5529 37.0542 178.2273 121 D 4.3585 8.3573 119.8483 57.4326 40.6408 178.5316 122 D 4.3296 8.2118 119.2664 57.2618 40.8960 178.7719 123 A 3.9953 7.8602 121.1437 55.0306 18.1760 179.7755 124 V 3.5522 7.9126 116.2195 66.3456 31.6526 178.2449 125 R 4.0658 7.9937 116.8710 59.0057 29.9534 178.6442 126 K 4.0818 8.0929 118.8262 58.6746 32.2587 177.1591 127 L 4.3888 7.6474 122.7376 54.7550 41.9202 176.1695 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 62 A 8.12 4.24 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 M 7.83 4.77 0.00 1.59 1.60 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 64 F 9.35 4.75 0.00 2.94 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 65 Q 9.01 4.30 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 66 I 8.13 4.36 1.87 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 1.30 0.80 1.00 0.00 0.00 67 G 6.93 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 68 K 8.60 3.97 0.00 1.68 1.70 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 69 M 8.90 3.37 0.00 2.55 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 70 R 7.56 5.23 0.00 1.63 1.76 0.00 3.12 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 71 Y 9.05 5.14 0.00 2.71 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 72 V 8.96 4.72 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 0.80 0.00 0.00 0.94 0.00 0.00 73 S 9.27 5.26 0.00 3.95 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 74 V 8.69 5.00 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 0.85 0.00 0.00 0.90 0.00 0.00 75 R 8.68 4.73 0.00 1.95 1.97 0.00 2.84 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 76 D 8.61 5.15 0.00 2.74 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 77 F 9.39 4.69 0.00 2.99 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 78 K 9.36 3.77 0.00 1.64 1.69 0.00 1.07 0.00 0.00 1.41 0.00 0.00 2.58 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.05 0.76 7.81 79 G 8.47 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 0.00 0.00 0.00 80 K 8.14 4.71 0.00 2.02 1.79 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 81 V 8.42 4.64 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 0.97 0.00 0.00 82 L 8.91 4.99 0.00 1.49 1.39 0.57 0.81 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 83 I 9.07 4.39 1.59 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 0.27 0.29 -0.02 0.00 0.00 84 D 9.25 5.29 0.00 2.57 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 0.00 0.00 0.00 0.00 85 I 8.68 4.85 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.97 0.00 0.00 86 R 8.87 5.02 0.00 2.03 1.80 0.00 2.68 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.64 0.00 87 E 9.18 4.96 0.00 1.99 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 2.47 0.00 88 Y 9.16 5.19 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 9.52 4.79 0.00 3.24 3.19 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 90 M 8.60 5.17 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 91 D 9.09 4.82 0.00 2.93 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 92 P 0.00 4.32 0.00 2.08 2.17 0.00 3.68 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 2.03 2.13 0.00 93 E 8.41 4.32 0.00 2.13 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 0.00 2.25 2.35 0.00 94 G 8.56 3.96 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 0.00 0.00 0.00 95 E 8.83 4.52 0.00 2.13 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 2.28 0.00 96 M 8.48 4.94 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 97 K 9.42 4.93 0.00 1.67 1.64 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.50 7.81 98 P 0.00 3.54 0.00 1.82 1.65 0.00 3.75 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 1.89 1.92 0.00 99 G 8.52 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 0.00 0.00 0.00 100 R 8.71 4.18 0.00 1.87 2.02 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 101 K 7.89 4.35 0.00 1.89 1.78 0.00 2.06 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 102 G 7.79 4.43 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 0.00 0.00 0.00 103 I 8.67 4.77 1.89 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 1.25 1.73 0.95 0.00 0.00 104 S 8.75 4.95 0.00 3.71 3.68 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 0.00 105 L 9.07 5.07 0.00 1.69 1.67 1.15 0.47 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 0.00 106 N 9.23 4.94 0.00 2.99 3.00 0.00 0.00 6.94 8.14 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 0.00 107 P 0.00 4.39 0.00 2.25 2.25 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 108 E 8.28 3.96 0.00 2.07 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 0.00 2.40 2.42 0.00 109 Q 8.97 4.09 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 110 W 8.61 4.42 0.00 3.33 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 0.00 111 S 8.45 3.83 0.00 3.94 4.02 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 0.00 0.00 0.00 0.00 112 Q 7.91 4.11 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 113 L 8.25 4.04 0.00 1.76 1.76 0.92 0.52 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 0.00 114 K 7.74 3.74 0.00 1.54 1.50 0.00 1.28 0.00 0.00 0.70 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.66 0.21 7.81 115 E 7.93 3.94 0.00 2.04 1.96 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 2.27 2.54 0.00 116 Q 7.76 4.26 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 117 I 7.55 3.62 1.90 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 1.34 0.70 0.89 0.00 0.00 118 S 7.97 4.04 0.00 3.85 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 0.00 119 D 7.99 4.37 0.00 2.83 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 0.00 120 I 7.99 3.71 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.91 0.00 0.00 121 D 8.36 4.36 0.00 2.89 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 0.00 122 D 8.21 4.33 0.00 2.88 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 0.00 123 A 7.86 4.00 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 0.00 124 V 7.91 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 0.86 0.00 0.00 0.95 0.00 0.00 125 R 7.99 4.07 0.00 2.07 1.97 0.00 3.21 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 126 K 8.09 4.08 0.00 1.98 1.97 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 127 L 7.65 4.39 0.00 1.69 1.55 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00