NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0673 8.0393 114.0562 61.7819 33.1813 173.3358 7 S 4.3236 8.3108 113.4025 58.1310 65.6539 175.3954 8 G 3.7329 8.3199 108.8360 46.3800 0.0000 177.1270 9 L 4.0766 8.6165 120.9273 58.1943 41.9613 178.9673 10 V 3.5697 7.7991 117.6002 66.2236 31.3475 177.6229 11 Q 3.9467 7.9656 119.1185 59.2390 28.9753 178.1895 12 Q 3.9815 8.1670 119.1040 59.1154 28.6773 178.8117 13 Q 4.0242 8.4999 119.4951 58.9707 28.6943 178.5492 14 N 4.3345 8.4076 117.6873 56.2711 38.5971 177.1400 15 N 4.3144 8.4130 118.1227 56.4178 38.6184 177.4593 16 I 3.7108 7.6434 120.7608 64.4422 37.2220 178.4976 17 L 4.0142 8.1728 119.9784 57.8318 41.4247 179.8385 18 R 3.9030 8.2232 117.8164 59.2471 29.9699 178.9974 19 A 4.0162 8.0861 120.5078 55.0715 18.3546 179.6152 20 L 3.9186 8.3394 117.9684 57.9747 41.7300 179.3790 21 E 3.9699 8.4011 119.0084 59.1911 29.5635 178.7518 22 A 4.0265 8.0649 120.8683 55.4719 18.4147 179.8147 23 T 3.8619 8.1818 114.4192 66.7882 68.4725 176.8624 24 Q 4.0264 8.5533 120.4468 59.4318 28.7558 178.6685 25 H 4.1400 8.4583 118.8436 59.1449 29.8968 177.2313 26 A 4.0135 8.1696 122.7510 55.0921 18.1613 179.7775 27 V 3.5632 8.2626 117.2606 66.2245 31.6640 178.3226 28 Q 4.0399 8.3942 117.7372 58.9570 28.4802 178.6168 29 A 4.1373 8.0639 121.8527 55.1281 18.3040 179.6814 30 L 3.9289 8.0626 117.6247 57.7753 41.6617 179.7878 31 V 3.4073 7.9748 118.3524 65.9441 31.4158 178.1753 32 W 4.0741 8.1112 117.9005 59.1189 28.9248 178.9642 33 G 3.6238 8.4432 106.5354 47.6515 0.0000 176.0683 34 V 3.6174 8.1036 120.9388 65.7315 31.5505 178.3862 35 K 4.2348 8.1153 122.1426 59.4762 31.8365 180.0615 36 Q 4.1386 8.4107 121.2332 60.0510 27.9998 181.0423 37 L 4.1786 8.0558 120.7301 57.8331 41.3286 179.4041 38 Q 3.9774 8.3821 118.1076 59.2063 28.6803 179.2178 39 A 4.1077 8.1092 121.4888 55.1793 18.3958 179.9610 40 R 3.9322 7.9599 116.7112 59.2312 30.0305 179.4600 41 V 3.6240 8.3165 118.7170 65.7645 31.4965 177.8643 42 L 4.0962 8.2023 120.0891 58.0591 41.8460 178.8411 43 A 4.0349 8.0721 120.7836 55.1218 18.2994 179.5902 44 L 4.0242 7.9873 117.5104 57.9570 41.8334 179.6198 45 E 3.9603 8.4521 118.6505 59.4897 29.2412 179.2916 46 R 3.9090 8.1443 117.6759 59.6527 30.1668 177.5545 47 Y 4.2449 8.0689 118.2817 60.8993 38.9262 177.9133 48 I 3.5635 7.8310 119.3281 63.5055 37.2207 176.8065 49 K 4.2307 7.6533 123.0283 56.5161 32.1733 176.4783 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 8.04 4.07 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 0.91 0.00 0.00 0.93 0.00 0.00 7 S 8.31 4.32 0.00 4.01 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 8 G 8.32 3.73 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 0.00 0.00 0.00 9 L 8.62 4.08 0.00 1.77 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.80 3.57 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 1.05 0.00 0.00 0.93 0.00 0.00 11 Q 7.97 3.95 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 12 Q 8.17 3.98 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 13 Q 8.50 4.02 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 14 N 8.41 4.33 0.00 3.01 2.86 0.00 0.00 7.02 6.62 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 15 N 8.41 4.31 0.00 2.87 2.87 0.00 0.00 7.05 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.64 3.71 2.02 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 1.52 0.79 0.91 0.00 0.00 17 L 8.17 4.01 0.00 1.83 1.72 0.92 1.24 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 18 R 8.22 3.90 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 19 A 8.09 4.02 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 20 L 8.34 3.92 0.00 1.82 1.89 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.40 3.97 0.00 2.05 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 2.31 2.34 0.00 22 A 8.06 4.03 1.40 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 0.00 0.00 23 T 8.18 3.86 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 1.22 0.00 0.00 24 Q 8.55 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 25 H 8.46 4.14 0.00 3.36 3.49 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.01 1.40 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 0.00 0.00 27 V 8.26 3.56 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 1.10 0.00 0.00 1.00 0.00 0.00 28 Q 8.39 4.04 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 29 A 8.06 4.14 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 30 L 8.06 3.93 0.00 1.90 1.72 0.92 0.65 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 V 7.97 3.41 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 0.50 0.00 0.00 0.91 0.00 0.00 32 W 8.11 4.07 0.00 3.53 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 33 G 8.44 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 34 V 8.10 3.62 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 1.04 0.00 0.00 0.93 0.00 0.00 35 K 8.12 4.23 0.00 1.58 1.69 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.16 1.02 7.81 36 Q 8.41 4.14 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 37 L 8.06 4.18 0.00 1.92 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.38 3.98 0.00 2.19 2.14 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 2.36 2.51 0.00 39 A 8.11 4.11 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 40 R 7.96 3.93 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 41 V 8.32 3.62 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 0.96 0.00 0.00 42 L 8.20 4.10 0.00 1.89 1.80 0.93 1.10 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 43 A 8.07 4.03 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 44 L 7.99 4.02 0.00 1.93 1.79 0.93 0.98 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 45 E 8.45 3.96 0.00 2.17 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 2.34 2.47 0.00 46 R 8.14 3.91 0.00 1.80 2.16 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 47 Y 8.07 4.24 0.00 2.97 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 48 I 7.83 3.56 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.88 0.00 0.00 49 K 7.65 4.23 0.00 1.80 1.68 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81