NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 D 4.6906 8.3649 120.3284 52.8603 41.5781 175.4017 81 L 4.1797 7.6165 118.9550 51.8012 45.6211 172.9681 82 Y 4.8646 7.0524 119.5860 55.0166 41.4012 172.3628 83 P 4.6012 0.0000 0.0000 63.0882 32.1419 176.4932 84 V 4.4701 8.2215 110.2917 60.4350 33.9813 176.5356 85 T 4.5247 7.5751 110.7094 59.9237 71.8603 175.1825 86 L 3.7978 8.2515 123.1295 58.3925 42.0765 179.3880 87 W 4.2785 8.1003 118.2424 59.3094 28.9507 178.7662 88 G 3.6685 8.2460 106.1374 47.8961 0.0000 176.0700 89 R 3.9660 8.1235 120.6587 58.8716 30.0295 179.1954 90 L 3.9734 7.9416 118.8946 57.8108 41.6420 179.6743 91 V 3.6776 8.1953 118.0711 65.9186 31.3331 177.9521 92 A 4.0279 8.2726 120.8326 55.1146 18.2437 179.6841 93 V 3.5222 8.1613 117.2453 66.1042 31.4738 178.4844 94 V 3.5825 7.8313 117.9217 65.9859 31.3519 178.1158 95 V 3.6093 7.8396 117.9709 66.2400 31.3724 177.6177 96 M 4.0490 8.2731 118.5586 58.7015 31.9165 178.9595 97 V 3.6540 7.8924 117.8285 65.8621 31.5895 177.9314 98 A 4.0835 8.4995 121.0439 55.0671 18.2257 179.8369 99 G 3.7225 8.4622 104.5754 48.1599 0.0000 175.9969 100 I 3.8562 8.4023 123.0841 64.2228 36.8993 178.5522 101 T 3.8582 8.2283 115.6742 67.0187 68.5639 176.2214 102 S 4.1590 8.3360 117.0144 62.0402 62.9828 176.9398 103 F 4.1776 8.6162 120.2999 60.2933 38.1425 177.5903 104 G 3.8378 8.1646 104.6165 46.1927 0.0000 175.0645 105 L 4.2403 8.1426 122.1628 56.6436 42.3595 178.2081 106 V 3.8070 7.6040 117.2802 65.5757 31.8098 177.7839 107 T 3.9494 7.5812 114.9476 66.4619 68.3075 176.6295 108 A 4.0755 7.8392 121.3979 54.7369 18.4147 179.4031 109 A 4.0608 7.5354 118.8650 54.8413 18.5514 179.5999 110 L 3.9911 7.7698 116.8588 57.1943 41.6603 179.2420 111 A 4.1403 7.8088 120.9898 55.2201 18.5436 179.7888 112 T 3.8880 7.9914 114.4237 66.2578 68.4832 176.9312 113 W 4.3020 8.1379 130.3065 60.6568 30.9199 178.1761 114 F 4.2157 7.8910 117.7905 60.9216 38.2910 177.3575 115 V 3.7800 8.3878 118.5924 65.2289 31.1202 177.8769 116 G 3.9749 8.1889 106.4744 49.1049 0.0000 174.5586 117 R 4.2578 8.7064 122.2303 56.6294 29.9475 178.2335 118 E 3.3338 8.3035 119.1199 60.1668 29.4672 179.6879 119 Q 4.0904 7.9675 118.0165 58.2964 28.5523 178.0115 120 E 4.2626 9.1095 120.2405 58.5986 29.8004 179.3852 121 R 4.0440 7.5491 117.8421 55.8813 29.4354 176.3358 122 R 4.2031 8.9197 122.3693 55.9902 31.2268 175.0407 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 80 D 8.36 4.69 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.62 4.18 0.00 1.66 1.48 0.90 0.39 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 82 Y 7.05 4.86 0.00 3.03 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 83 P 0.00 4.60 0.00 2.21 2.16 0.00 3.87 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 2.07 2.05 0.00 84 V 8.22 4.47 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 85 T 7.58 4.52 4.32 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 1.26 0.00 0.00 86 L 8.25 3.80 0.00 1.62 1.52 0.61 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.10 4.28 0.00 3.48 3.26 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 88 G 8.25 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.97 0.00 1.99 1.97 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 90 L 7.94 3.97 0.00 1.92 1.77 -0.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.20 3.68 2.33 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 1.06 0.00 0.00 1.12 0.00 0.00 92 A 8.27 4.03 1.44 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 0.00 0.00 0.00 93 V 8.16 3.52 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 0.99 0.00 0.00 0.95 0.00 0.00 94 V 7.83 3.58 2.26 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 1.06 0.00 0.00 1.01 0.00 0.00 95 V 7.84 3.61 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 1.11 0.00 0.00 1.04 0.00 0.00 96 M 8.27 4.05 0.00 2.11 2.29 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 2.79 2.58 0.00 97 V 7.89 3.65 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 0.89 0.00 0.00 0.97 0.00 0.00 98 A 8.50 4.08 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 99 G 8.46 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 0.00 0.00 0.00 100 I 8.40 3.86 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 1.55 0.73 0.95 0.00 0.00 101 T 8.23 3.86 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 1.22 0.00 0.00 102 S 8.34 4.16 0.00 3.83 3.66 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 0.00 0.00 0.00 0.00 103 F 8.62 4.18 0.00 3.21 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 0.00 104 G 8.16 3.84 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 0.00 0.00 0.00 105 L 8.14 4.24 0.00 1.92 1.73 0.92 0.71 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 0.00 106 V 7.60 3.81 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 1.01 0.00 0.00 0.91 0.00 0.00 107 T 7.58 3.95 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 1.26 0.00 0.00 108 A 7.84 4.08 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 0.00 109 A 7.54 4.06 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 L 7.77 3.99 0.00 1.84 1.42 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.81 4.14 1.41 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 0.00 0.00 0.00 112 T 7.99 3.89 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 1.25 0.00 0.00 113 W 8.14 4.30 0.00 3.33 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 0.00 114 F 7.89 4.22 0.00 3.08 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 0.00 115 V 8.39 3.78 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 1.03 0.00 0.00 1.00 0.00 0.00 116 G 8.19 3.97 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 0.00 0.00 0.00 117 R 8.71 4.26 0.00 1.87 1.76 0.00 3.40 0.00 0.00 3.59 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 118 E 8.30 3.33 0.00 2.17 2.26 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 2.25 2.56 0.00 119 Q 7.97 4.09 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 120 E 9.11 4.26 0.00 2.08 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 0.00 2.49 2.31 0.00 121 R 7.55 4.04 0.00 1.79 2.07 0.00 3.16 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 122 R 8.92 4.20 0.00 1.77 1.72 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00