NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9266 8.3393 109.7370 45.3273 0.0000 173.3957 3 K 3.9802 8.5248 121.7569 55.8431 33.6576 170.9141 4 V 4.5307 8.5505 119.7599 61.3570 35.6939 174.9216 5 Y 5.0344 8.7523 123.2981 56.0192 41.4347 174.6360 6 K 4.5332 8.3751 122.2906 54.4316 35.7265 174.7452 7 K 4.8791 8.4106 123.7315 54.6219 34.7824 175.8629 8 V 4.5675 8.7278 117.3843 59.5033 35.2858 174.1248 9 E 5.0680 8.7461 124.2426 54.7229 30.9864 174.9003 10 L 4.9040 9.0503 126.5743 52.8248 46.1045 175.7097 11 V 4.7529 8.3312 119.9980 61.3258 33.5340 174.9390 12 G 4.2461 9.0036 116.4190 45.3025 0.0000 172.0456 13 T 5.3870 8.1238 111.7952 60.0712 72.0797 172.9400 14 S 4.6918 8.7351 115.6953 57.7287 66.0224 175.2786 15 E 4.5750 9.0259 123.4348 57.2929 29.6457 177.2449 16 E 4.5003 8.4016 117.7051 55.6769 30.2516 174.3328 17 G 2.9806 7.9951 105.3312 43.4797 0.0000 175.4296 18 L 3.8127 8.0980 118.2096 57.9351 41.4750 179.5887 19 E 3.9176 8.0472 117.7426 59.2743 29.3389 179.2028 20 A 3.8961 7.8198 120.1112 55.0657 18.6688 179.3875 21 A 3.9150 8.0675 119.3176 55.1942 18.4528 179.8413 22 I 3.4895 7.6881 118.2731 64.7740 37.1581 178.7272 23 Q 3.8887 8.2344 118.6741 58.6709 28.4459 178.7777 24 A 3.9234 8.0690 121.7831 55.1030 18.3699 179.5312 25 A 3.8894 7.7726 118.8404 55.3475 18.4659 179.9354 26 L 3.8419 7.9882 117.2876 57.5756 41.4226 179.5014 27 A 3.9473 8.0831 120.5089 55.1705 18.6253 179.3825 28 R 3.9051 7.9516 116.9551 59.3780 30.1722 178.3803 29 A 3.8778 8.1198 120.8165 55.3276 18.1350 179.5755 30 R 3.8190 7.7805 115.6933 59.2977 30.0975 178.5118 31 K 4.1919 7.7570 117.7518 58.4985 32.1745 177.5618 32 T 4.5666 7.5729 104.5542 60.3638 70.3890 173.3522 33 L 4.4476 7.7769 122.2393 52.8820 44.0358 175.9208 34 R 4.4910 7.9396 120.5385 55.7001 32.8551 175.0353 35 H 4.1802 8.5197 113.9557 56.8018 25.9017 175.2917 36 L 4.5161 8.1971 118.8999 55.5501 42.1506 176.1708 37 D 5.2204 9.3184 123.0858 55.3444 43.3640 176.0996 38 W 5.4834 7.9059 113.2050 55.3365 31.8772 173.0329 39 F 5.3044 8.3352 114.0009 55.4666 41.1344 173.9110 40 E 4.6650 9.2872 118.7293 54.7333 33.4443 175.0556 41 V 4.2787 8.7450 125.1721 62.9869 31.8364 175.4274 42 K 4.5814 9.3805 126.9048 57.6467 34.1977 176.4928 43 E 4.8496 7.9247 116.8289 54.9561 34.3530 174.4004 44 I 5.0848 8.3300 122.7358 59.7397 40.4227 174.8753 45 R 4.5887 8.6932 122.8265 55.9088 33.4191 173.3344 46 G 4.1790 7.8374 105.2842 46.7806 0.0000 172.3043 47 T 4.8131 8.0360 109.7740 59.8491 72.0012 173.3982 48 I 4.8476 8.2235 122.0857 59.8137 40.5694 175.5155 49 G 4.2045 9.0298 115.2413 44.1467 0.0000 172.3351 50 E 3.8391 8.9847 118.5350 58.7726 29.7385 178.3519 51 A 4.5737 7.8450 119.0172 51.8436 20.3650 176.2756 52 G 4.0260 7.5801 104.5712 44.2754 0.0000 176.5315 53 V 3.6755 8.2464 124.7737 62.9525 31.0277 174.3097 54 K 4.1861 8.2709 130.0069 56.4639 32.3528 174.8721 55 E 4.9598 8.4276 117.6759 54.6385 33.1213 174.5939 56 Y 4.6047 9.1083 122.1274 57.6437 39.8206 174.5679 57 Q 5.0456 9.4715 122.4614 54.1662 32.4837 174.4104 58 V 4.6802 8.9785 124.9870 61.0074 34.3757 174.3431 59 V 4.6280 8.8252 129.4530 61.9220 32.6785 174.7165 60 L 5.2878 9.1646 127.6547 54.3283 44.5819 174.7601 61 E 4.9939 9.3096 120.0990 55.1211 31.8038 175.2015 62 V 4.5053 8.9445 124.4107 61.0157 34.1306 174.3046 63 G 2.8863 8.2061 115.7237 43.9148 0.0000 172.3592 64 F 5.6823 8.3257 118.2602 55.0097 41.8430 173.6847 65 R 4.1181 8.9039 121.7795 56.1772 30.7149 175.7064 66 L 4.5588 8.3826 126.5903 53.7910 42.5643 177.0054 67 E 4.1219 9.0595 125.1847 57.0468 30.3505 177.4832 68 E 4.2930 8.4926 115.3970 56.1276 30.3696 176.9678 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 2 G 8.34 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 0.00 0.00 0.00 3 K 8.52 3.98 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81 4 V 8.55 4.53 2.00 0.00 0.00 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 0.91 0.00 0.00 5 Y 8.75 5.03 0.00 3.06 3.12 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 0.00 0.00 0.00 0.00 6 K 8.38 4.53 0.00 1.50 0.74 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.05 1.24 7.81 7 K 8.41 4.88 0.00 1.60 1.59 0.00 2.07 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.02 1.39 7.81 8 V 8.73 4.57 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 0.93 0.00 0.00 1.03 0.00 0.00 9 E 8.75 5.07 0.00 1.97 1.85 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 2.21 2.33 0.00 10 L 9.05 4.90 0.00 1.55 1.48 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.75 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.00 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 0.00 0.00 0.00 0.00 13 T 8.12 5.39 4.26 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 1.22 0.00 0.00 14 S 8.74 4.69 0.00 3.90 3.71 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 15 E 9.03 4.57 0.00 2.04 2.03 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 2.47 2.31 0.00 16 E 8.40 4.50 0.00 1.91 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 2.25 2.36 0.00 17 G 8.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.10 3.81 0.00 1.59 1.67 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.05 3.92 0.00 1.99 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 2.38 2.42 0.00 20 A 7.82 3.90 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.07 3.92 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 22 I 7.69 3.49 1.85 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 1.40 0.88 0.28 0.00 0.00 23 Q 8.23 3.89 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 24 A 8.07 3.92 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.77 3.89 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.99 3.84 0.00 1.74 1.64 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.08 3.95 1.28 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 0.00 0.00 0.00 28 R 7.95 3.91 0.00 1.92 1.89 0.00 3.12 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 1.59 1.64 0.00 29 A 8.12 3.88 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.78 3.82 0.00 1.90 2.14 0.00 3.24 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.76 4.19 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 32 T 7.57 4.57 4.17 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 1.16 0.00 0.00 33 L 7.78 4.45 0.00 1.40 0.81 0.45 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.94 4.49 0.00 1.67 1.53 0.00 3.31 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 35 H 8.52 4.18 0.00 3.73 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.20 4.52 0.00 1.69 1.69 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.32 5.22 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.91 5.48 0.00 3.22 3.13 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 39 F 8.34 5.30 0.00 3.06 2.96 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 40 E 9.29 4.67 0.00 1.96 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 2.39 2.50 0.00 41 V 8.74 4.28 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 0.88 0.00 0.00 1.17 0.00 0.00 42 K 9.38 4.58 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.57 7.81 43 E 7.92 4.85 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 44 I 8.33 5.08 1.92 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 1.45 0.65 1.00 0.00 0.00 45 R 8.69 4.59 0.00 1.83 2.02 0.00 2.84 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 46 G 7.84 4.18 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 0.00 47 T 8.04 4.81 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 1.18 0.00 0.00 48 I 8.22 4.85 1.84 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 1.21 0.62 0.93 0.00 0.00 49 G 9.03 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 50 E 8.98 3.84 0.00 1.91 1.99 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 2.29 2.36 0.00 51 A 7.85 4.57 1.26 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 0.00 0.00 52 G 7.58 4.03 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 0.00 0.00 0.00 53 V 8.25 3.68 1.76 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 -0.29 0.00 0.00 0.67 0.00 0.00 54 K 8.27 4.19 0.00 1.85 1.57 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.38 7.81 55 E 8.43 4.96 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 56 Y 9.11 4.60 0.00 2.93 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 57 Q 9.47 5.05 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.98 4.68 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 1.04 0.00 0.00 0.97 0.00 0.00 59 V 8.83 4.63 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 0.95 0.00 0.00 1.00 0.00 0.00 60 L 9.16 5.29 0.00 1.98 1.76 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.31 4.99 0.00 1.91 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 2.27 2.26 0.00 62 V 8.94 4.51 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 0.97 0.00 0.00 0.91 0.00 0.00 63 G 8.21 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 0.00 0.00 0.00 64 F 8.33 5.68 0.00 3.41 3.10 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 0.00 0.00 0.00 65 R 8.90 4.12 0.00 1.91 1.89 0.00 3.10 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.00 66 L 8.38 4.56 0.00 1.57 1.56 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.06 4.12 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 68 E 8.49 4.29 0.00 1.96 1.68 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 2.13 1.83 0.00