NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7969 8.2833 118.0727 53.3640 40.9103 172.3206 2 S 4.9028 8.4904 115.6987 56.2804 65.5966 172.1787 3 Y 4.6906 8.9995 125.1371 55.2890 42.9564 171.7165 4 P 4.7717 0.0000 0.0000 63.2278 31.7426 175.6324 5 G 4.3335 8.1399 109.3385 45.8640 0.0000 172.9216 6 C 5.3796 8.6315 117.0778 55.5980 45.2751 171.5727 7 P 4.5081 0.0000 0.0000 62.0294 32.3515 176.7143 8 S 4.6780 8.2684 111.9143 58.8758 62.5410 175.9108 9 S 4.2465 7.7238 118.1571 60.4954 64.3229 174.7526 10 Y 4.1004 8.7965 117.0182 58.0817 35.9608 176.2154 11 D 5.1680 10.6100 135.0000 55.8940 42.6216 176.7168 12 G 4.0641 8.1660 119.2007 47.0587 0.0000 172.5053 13 Y 3.7634 7.8126 120.1124 59.7947 39.4673 176.7289 14 C 4.8338 7.9233 117.2512 55.1215 41.5285 172.9192 15 L 4.7936 7.9650 123.2343 53.9440 45.2972 175.6014 16 N 4.7530 8.5889 120.6093 52.7903 36.5023 175.1712 17 G 4.3718 6.6795 118.6990 45.2570 0.0000 171.1764 18 G 4.7431 7.1421 110.2427 45.5248 0.0000 169.8799 19 V 4.2131 8.8311 121.7295 62.1244 33.5224 173.6331 20 C 5.4300 8.5961 123.5550 54.9103 41.6723 172.7606 21 M 5.0100 8.8076 122.2128 54.1005 34.7162 173.4664 22 H 4.6058 9.5921 122.3197 55.3625 31.5722 173.8987 23 I 4.6703 8.8558 125.1168 59.8163 39.7611 175.8862 24 E 4.3797 9.2703 122.6724 56.2913 30.7603 178.2456 25 S 4.2837 8.0839 114.0598 61.3729 62.4750 175.4380 26 L 4.3493 7.7930 118.4461 54.7719 43.6063 174.7499 27 D 4.4667 7.9425 114.8613 54.3226 39.4210 173.0192 28 S 4.9750 7.1976 111.0300 56.7520 64.9251 171.8735 29 Y 4.5929 8.6337 120.8156 56.5457 40.0821 174.9232 30 T 4.9469 8.7851 118.1663 60.8807 71.3022 171.3221 31 C 5.5235 8.6209 117.1583 55.6889 45.9559 173.6251 32 N 4.9580 9.2711 118.5990 51.1516 39.5519 172.4311 33 C 5.1247 8.4874 122.5910 56.2410 43.3310 171.6994 34 V 4.5070 7.9599 109.0323 59.2742 35.6757 173.7573 35 I 4.0671 8.4601 120.0599 63.5801 37.2705 176.5817 36 G 4.2927 10.7623 111.9982 45.2795 0.0000 172.2079 37 Y 5.4355 8.3528 114.5406 57.9447 42.8659 174.3074 38 S 4.2333 8.0907 116.1649 58.3153 66.9325 175.4137 39 G 3.9985 7.3329 106.4307 44.9129 0.0000 176.6660 40 D 4.4520 8.8828 123.0262 55.8951 41.6027 175.9216 41 R 4.6578 7.0568 119.3576 56.7320 37.0019 174.7700 42 C 4.8691 8.4137 111.0075 56.8182 43.6414 175.1353 43 Q 4.0756 8.3231 122.8344 59.7559 29.3355 177.8224 44 T 4.3463 7.8479 115.8737 63.7611 66.3056 175.7530 45 R 4.7117 7.5451 122.9568 55.7256 28.5754 174.8186 46 D 4.9488 7.5376 117.3347 52.9636 46.6647 175.4649 47 L 4.1370 8.2180 127.4672 53.3370 39.3917 178.3035 48 R 3.2323 8.2210 130.2326 55.5875 25.7877 172.5450 49 W 4.1646 7.9906 120.6302 56.5421 29.2594 176.9124 50 W 4.9371 8.0276 124.3266 53.4803 26.8295 175.3486 51 E 4.9083 7.5883 115.6134 56.0195 31.9292 175.4659 52 L 4.6811 8.0340 120.1560 54.6306 43.5427 176.4015 53 R 4.0949 8.5591 119.0037 57.0515 30.9754 175.7903 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 1 N 8.28 4.80 0.00 2.74 2.95 0.00 0.00 6.82 6.68 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 2 S 8.49 4.90 0.00 3.79 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 3 Y 9.00 4.69 0.00 3.03 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.77 0.00 2.01 1.99 0.00 2.76 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 5 G 8.14 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.63 5.38 0.00 3.04 3.02 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 7 P 0.00 4.51 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 8 S 8.27 4.68 0.00 3.85 3.90 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 0.00 0.00 0.00 9 S 7.72 4.25 0.00 3.34 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.80 4.10 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 10.61 5.17 0.00 2.84 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 12 G 8.17 4.06 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 0.00 0.00 0.00 13 Y 7.81 3.76 0.00 2.78 2.91 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 0.00 0.00 0.00 14 C 7.92 4.83 0.00 3.02 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 15 L 7.97 4.79 0.00 1.51 1.50 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.59 4.75 0.00 2.52 2.42 0.00 0.00 6.82 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 6.68 4.37 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 0.00 18 G 7.14 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.83 4.21 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 0.98 0.00 0.00 0.94 0.00 0.00 20 C 8.60 5.43 0.00 3.02 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 21 M 8.81 5.01 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 22 H 9.59 4.61 0.00 2.96 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.86 4.67 1.76 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 1.15 0.75 0.92 0.00 0.00 24 E 9.27 4.38 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 25 S 8.08 4.28 0.00 3.80 3.87 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 26 L 7.79 4.35 0.00 1.82 1.58 0.93 0.88 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 27 D 7.94 4.47 0.00 2.74 2.73 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 28 S 7.20 4.97 0.00 4.08 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 29 Y 8.63 4.59 0.00 2.25 2.06 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 30 T 8.79 4.95 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 1.23 0.00 0.00 31 C 8.62 5.52 0.00 3.24 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 32 N 9.27 4.96 0.00 2.61 2.82 0.00 0.00 6.71 7.39 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 33 C 8.49 5.12 0.00 3.05 2.97 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 34 V 7.96 4.51 2.17 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 0.72 0.00 0.00 1.01 0.00 0.00 35 I 8.46 4.07 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 0.80 0.00 0.00 36 G 10.76 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 0.00 0.00 0.00 0.00 37 Y 8.35 5.44 0.00 3.07 2.74 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 0.00 0.00 0.00 38 S 8.09 4.23 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.88 4.45 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.06 4.66 0.00 1.92 1.85 0.00 3.01 0.00 0.00 2.72 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 42 C 8.41 4.87 0.00 3.04 3.07 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 43 Q 8.32 4.08 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 7.57 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 44 T 7.85 4.35 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 1.47 0.00 0.00 45 R 7.55 4.71 0.00 1.43 2.08 0.00 2.66 0.00 0.00 3.82 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 46 D 7.54 4.95 0.00 2.64 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 47 L 8.22 4.14 0.00 1.34 0.42 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.22 3.23 0.00 0.97 1.27 0.00 3.36 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.00 49 W 7.99 4.16 0.00 3.33 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 50 W 8.03 4.94 0.00 3.33 3.31 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 51 E 7.59 4.91 0.00 2.19 2.13 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 2.61 2.54 0.00 52 L 8.03 4.68 0.00 1.72 1.65 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.56 4.09 0.00 1.95 1.91 0.00 3.43 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 1.50 1.54 0.00