NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3682 8.1744 110.9437 61.1594 70.6992 173.4578 6 N 4.8563 7.8074 120.7939 52.9149 39.4393 172.9675 7 S 4.4694 8.8221 113.3554 57.8465 64.9515 173.5326 8 D 4.8157 8.5699 121.8698 54.9564 41.9243 175.2092 9 F 5.3841 7.8640 114.0153 55.6426 41.5917 173.8187 10 V 4.6039 8.8502 111.7861 59.5057 35.5284 174.9322 11 V 4.8033 8.7018 123.5809 61.2771 34.0142 174.3963 12 I 4.9477 8.9968 128.4800 59.3941 40.7084 174.1397 13 K 5.0099 9.0962 129.1686 54.1914 34.2978 175.1534 14 A 4.3562 8.6000 130.2991 52.4422 19.1376 177.3379 15 L 4.7076 8.7841 121.9659 54.3975 42.6294 175.8013 16 E 4.6480 7.6504 115.7183 55.1487 32.1804 174.3650 17 D 4.5047 8.3409 119.1940 55.4273 41.3910 177.2172 18 G 3.8943 8.4258 109.3351 45.2708 0.0000 174.0278 19 V 3.8593 7.5690 119.7980 63.4023 32.7844 174.2590 20 N 5.3109 9.1627 124.8764 51.4835 41.3964 173.6898 21 V 4.3665 8.8666 124.7819 61.4596 33.3344 174.1133 22 I 4.5761 8.6288 130.1653 59.4206 39.6240 175.0910 23 G 4.1739 8.8097 114.6123 44.8711 0.0000 172.4019 24 L 5.5006 8.7947 126.1313 52.9797 44.0348 176.3040 25 T 4.4736 8.7990 114.6795 62.0095 69.0719 174.1819 26 R 4.3252 7.8564 126.4167 56.9915 30.0073 174.9491 27 G 3.7692 8.8257 108.9201 44.1935 0.0000 173.9633 28 A 4.1191 8.6882 121.2440 54.3570 18.6823 177.6467 29 D 4.8619 7.2573 111.6128 53.2268 42.6502 176.3323 30 T 4.6889 8.2427 122.0016 61.3877 69.2813 172.7138 31 R 4.6839 9.0732 123.2615 53.9244 33.7344 174.1476 32 F 5.4786 8.6326 117.7026 57.0628 39.3079 176.0893 33 H 4.8221 8.9123 118.8168 56.5271 30.0002 174.4162 34 H 4.7519 7.4219 118.0153 55.0563 33.2094 172.0456 35 S 4.8588 8.1969 119.0775 56.3749 64.7500 172.4400 36 E 4.3910 9.2036 129.5281 55.1014 30.8515 174.7829 37 K 4.9174 8.5947 126.8160 55.3145 33.6623 175.9194 38 L 4.9529 8.8522 125.3969 52.9102 44.6486 176.3127 39 D 4.9651 9.3700 123.8372 53.2070 42.6088 175.8992 40 K 4.1230 9.1854 122.4100 58.3187 32.4100 176.9914 41 G 4.0422 9.1795 115.5595 45.2199 0.0000 173.6104 42 E 4.2901 7.9873 119.2964 56.2110 30.8061 176.0618 43 V 4.8854 8.2762 121.6116 61.0417 34.5894 174.3751 44 L 4.7508 9.0734 128.7888 53.2938 45.1737 174.8459 45 I 5.0245 8.5184 126.5334 59.5874 39.1394 174.7972 46 A 4.7190 8.9375 128.7080 50.1533 22.3986 175.3001 47 Q 4.8453 8.5679 119.8602 54.9600 30.5257 175.6436 48 F 4.6505 8.5784 120.2708 57.8776 38.7579 175.2733 49 T 4.6878 8.8572 111.1106 60.1769 71.9230 173.9714 50 E 4.1718 8.9190 121.3703 59.2987 29.6474 177.2141 51 H 4.5506 7.8461 114.5433 56.1735 30.0286 174.2053 52 T 5.4748 8.3877 116.5704 61.0399 70.7116 174.5692 53 S 4.9732 9.0062 119.8749 58.0420 64.9750 173.2676 54 A 5.0985 7.9026 121.3739 51.1055 22.6536 175.1155 55 I 4.9586 8.5259 120.2749 59.3810 40.5954 174.7537 56 K 4.6294 9.0746 128.3910 54.4951 34.9256 174.7484 57 V 4.8009 8.3518 125.8456 61.1635 33.9512 174.4874 58 R 4.5497 8.9182 127.0732 55.3355 32.7806 175.8036 59 G 4.0869 9.0196 109.3266 43.9424 0.0000 172.6445 60 K 4.7051 9.4162 120.5320 55.4347 33.0273 175.5893 61 A 5.0405 8.6067 127.6231 51.0610 23.3967 173.7590 62 Y 4.9183 9.1131 121.8992 56.0620 41.0445 174.5613 63 I 4.8760 8.4572 127.2789 59.5037 40.8170 174.2722 64 Q 4.9618 8.9528 126.3371 54.3172 31.6446 174.9616 65 T 4.8104 8.7607 113.1869 59.6223 72.4683 174.6486 66 R 3.7422 8.5345 120.4963 59.3437 29.9649 176.5271 67 H 4.7547 8.6361 113.0549 55.1954 29.5442 174.7394 68 G 3.7522 6.7549 106.9503 44.2479 0.0000 173.1397 69 V 4.8267 7.8259 113.5027 59.9341 35.1832 175.1074 70 I 4.4402 8.1954 121.1458 60.1827 41.9044 172.7467 71 E 5.3013 8.6738 126.9366 54.5448 31.7251 176.1899 72 S 4.6832 8.9272 119.5699 57.9660 65.0772 172.7956 73 E 4.8488 8.4753 117.9061 54.4430 32.4504 175.7852 74 G 3.7393 8.7122 110.2002 45.9155 0.0000 173.3664 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 5 T 8.17 4.37 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 1.22 0.00 0.00 6 N 7.81 4.86 0.00 2.76 2.83 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.82 4.47 0.00 4.09 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 8 D 8.57 4.82 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.86 5.38 0.00 2.93 2.93 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 10 V 8.85 4.60 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 0.57 0.00 0.00 0.86 0.00 0.00 11 V 8.70 4.80 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 1.12 0.00 0.00 1.14 0.00 0.00 12 I 9.00 4.95 1.86 0.00 0.00 0.82 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 0.64 0.91 0.00 0.00 13 K 9.10 5.01 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.60 4.36 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 15 L 8.78 4.71 0.00 1.65 1.70 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.65 0.00 2.03 1.89 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 2.19 2.32 0.00 17 D 8.34 4.50 0.00 2.69 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 18 G 8.43 3.89 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 19 V 7.57 3.86 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 0.99 0.00 0.00 1.00 0.00 0.00 20 N 9.16 5.31 0.00 2.62 2.58 0.00 0.00 6.28 8.27 0.00 0.00 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 V 8.87 4.37 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 0.83 0.00 0.00 0.90 0.00 0.00 22 I 8.63 4.58 1.41 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.37 -0.30 0.00 0.00 23 G 8.81 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 0.00 0.00 0.00 0.00 24 L 8.79 5.50 0.00 1.90 1.71 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.80 4.47 4.31 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 1.39 0.00 0.00 26 R 7.86 4.33 0.00 1.91 1.97 0.00 3.22 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 4.12 1.29 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 29 D 7.26 4.86 0.00 2.61 2.58 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 30 T 8.24 4.69 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 1.27 0.00 0.00 31 R 9.07 4.68 0.00 1.80 2.01 0.00 2.78 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 32 F 8.63 5.48 0.00 2.90 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 33 H 8.91 4.82 0.00 3.27 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.42 4.75 0.00 3.31 3.10 0.00 5.80 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 35 S 8.20 4.86 0.00 3.70 3.57 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 36 E 9.20 4.39 0.00 2.14 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 37 K 8.59 4.92 0.00 1.64 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.48 7.81 38 L 8.85 4.95 0.00 1.52 1.53 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.37 4.97 0.00 2.58 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.19 4.12 0.00 1.64 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.31 7.81 41 G 9.18 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.99 4.29 0.00 2.09 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 2.32 2.25 0.00 43 V 8.28 4.89 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.75 0.00 1.72 1.44 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.02 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.62 0.00 0.00 46 A 8.94 4.72 1.11 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.57 4.85 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 48 F 8.58 4.65 0.00 3.02 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 49 T 8.86 4.69 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 50 E 8.92 4.17 0.00 1.93 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 2.06 2.28 0.00 51 H 7.85 4.55 0.00 3.38 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.39 5.47 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 53 S 9.01 4.97 0.00 3.84 4.08 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 0.00 0.00 0.00 0.00 54 A 7.90 5.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.53 4.96 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.89 0.00 0.00 56 K 9.07 4.63 0.00 1.79 1.50 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 57 V 8.35 4.80 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.92 4.55 0.00 1.74 1.78 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 59 G 9.02 4.09 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 0.00 0.00 0.00 60 K 9.42 4.71 0.00 1.87 1.71 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.61 5.04 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 62 Y 9.11 4.92 0.00 3.03 2.83 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 63 I 8.46 4.88 1.85 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 1.17 0.52 0.88 0.00 0.00 64 Q 8.95 4.96 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 65 T 8.76 4.81 4.14 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 0.00 0.00 1.16 0.00 0.00 66 R 8.53 3.74 0.00 1.58 1.71 0.00 3.14 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 67 H 8.64 4.75 0.00 3.18 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.83 4.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.99 0.00 0.00 70 I 8.20 4.44 1.83 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 1.22 0.83 0.85 0.00 0.00 71 E 8.67 5.30 0.00 1.91 1.89 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 2.44 2.41 0.00 72 S 8.93 4.68 0.00 3.95 3.99 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 73 E 8.48 4.85 0.00 1.94 1.92 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 2.17 2.30 0.00 74 G 8.71 3.74 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