NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3331 8.4293 120.2265 56.1751 31.7475 176.3146 5 L 4.1633 7.7726 117.6201 53.7160 41.9617 175.6707 6 R 4.9061 8.5900 116.9033 55.1706 30.7661 178.1249 7 C 4.5023 8.8192 114.8830 57.3582 40.6901 173.1848 8 Q 4.6083 8.5642 120.2524 55.8523 29.4587 175.8914 9 C 4.9865 7.5632 111.8124 54.5139 42.0322 173.6652 10 I 3.8256 7.9128 126.3576 64.3869 37.5632 176.8385 11 K 4.6168 7.8606 117.8992 55.0246 34.3660 175.3243 12 T 4.7392 8.2271 111.9618 59.9958 70.8119 173.3266 13 Y 4.4209 9.2611 126.8732 57.2988 39.4900 175.2087 14 S 4.8913 8.0704 120.8081 58.2169 64.4758 174.6920 15 K 4.1343 6.4676 121.9792 53.2436 32.3201 179.5516 16 P 4.4156 0.0000 0.0000 63.0633 31.8305 175.7737 17 F 4.8959 7.7853 114.4020 56.1971 40.5394 173.4314 18 H 4.5853 8.9459 119.1478 53.9749 28.7945 174.6981 19 P 4.5546 0.0000 0.0000 65.2367 31.3657 178.8215 20 K 3.9833 7.8440 116.0363 59.1005 32.6686 177.4820 21 F 4.9612 8.1237 117.9075 57.9291 39.3695 175.5318 22 I 4.1006 7.9428 123.5939 61.4541 37.1948 175.6291 23 K 4.6467 8.8687 124.8534 57.1917 34.3328 176.5031 24 E 4.8280 7.8192 119.0405 54.3033 33.3890 173.8147 25 L 5.1044 8.6384 126.9398 53.2012 45.2472 175.3430 26 R 4.6228 9.0012 125.3308 54.5467 33.4291 173.6600 27 V 4.7648 8.5764 125.7644 61.1556 34.0763 174.3816 28 I 4.4731 8.5531 129.0325 59.2238 39.4548 175.0519 29 E 4.5786 9.0947 128.4309 55.1973 30.3813 176.4814 30 S 4.3217 8.8016 119.2663 58.6532 63.6499 174.3907 31 G 4.0348 7.9954 106.9031 45.7091 0.0000 172.5507 32 P 4.3407 0.0000 0.0000 65.6422 31.4849 177.4401 33 H 4.4295 8.1858 114.7743 57.9740 29.2290 175.8482 34 C 4.8293 7.3935 118.0509 54.8535 46.6544 174.4566 35 A 3.7566 8.7009 129.7469 54.1472 18.3753 176.7100 36 N 5.1594 7.7028 111.8017 51.5732 42.0590 174.6876 37 T 4.4041 8.3530 117.8265 63.6397 70.2958 174.1817 38 C 5.0179 9.0567 122.7924 55.1900 41.2534 172.9624 39 I 4.8447 8.3030 123.2316 59.7223 39.8678 174.2324 40 I 4.9181 8.7343 128.6501 59.3982 40.0051 175.2768 41 V 4.6463 8.5539 119.7957 59.2723 35.0435 174.3625 42 K 4.7291 8.8510 126.2818 54.7818 34.1868 175.6176 43 L 5.0747 8.9192 127.9254 53.4366 43.3940 178.0817 44 S 4.2126 8.7526 115.5064 60.5076 63.0153 174.7429 45 D 4.4862 7.9486 119.6604 53.0488 39.3659 177.2948 46 G 3.9066 8.0940 108.5187 45.4001 0.0000 174.2142 47 R 4.2379 8.1618 119.3931 55.7277 31.6856 175.2720 48 E 4.9759 8.5299 121.3275 54.5259 32.0902 175.2493 49 L 4.6129 8.5762 124.2474 52.6507 45.0370 175.2570 50 A 4.8837 8.5108 124.8669 50.7612 20.5955 175.9073 51 L 4.9586 8.6711 122.8124 52.5271 45.3457 176.2656 52 D 4.4296 8.5066 121.7075 53.1592 41.1944 175.4003 53 P 4.2607 0.0000 0.0000 65.3326 31.4832 177.7135 54 K 4.1118 7.8460 117.1682 58.2116 32.6503 177.7568 55 E 4.1211 7.9138 120.2770 55.8517 30.3961 177.2937 56 N 4.3432 8.9163 122.1303 56.2603 38.8017 177.4666 57 W 4.3111 8.2501 117.5207 59.4320 28.1057 178.4893 58 V 2.9407 6.6079 118.6484 65.6065 30.8938 177.7543 59 Q 3.9352 7.6826 117.3078 59.1084 28.5717 179.2054 60 R 3.9346 7.8348 118.5988 59.1191 30.1052 179.2050 61 V 3.6458 7.7739 118.0139 66.1667 31.6641 178.3016 62 V 3.6769 8.0904 118.2204 65.8715 31.3763 177.5874 63 E 3.9648 8.5685 119.4431 59.2954 29.5005 178.9137 64 K 3.9943 8.6466 118.9073 59.5612 31.9029 179.1498 65 F 4.2240 8.1550 119.8489 60.9630 39.4478 177.0880 66 L 3.9897 7.8944 118.3466 57.7811 41.1637 179.3260 67 K 3.8282 7.9060 118.2925 59.7046 31.5549 179.2815 68 R 3.7447 8.1459 118.5801 59.0980 29.4724 178.5888 69 A 3.7129 7.8439 122.2839 55.2077 18.4516 178.7256 70 E 4.3857 7.4169 110.2133 56.8026 29.3227 176.8058 71 N 4.9088 7.5926 113.4144 52.8888 40.4864 174.4429 72 S 4.2266 7.5196 118.9766 58.5272 62.3538 173.5265 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 4 E 8.43 4.33 0.00 1.95 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 0.00 2.21 2.37 0.00 5 L 7.77 4.16 0.00 1.83 1.67 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.59 4.91 0.00 1.91 1.77 0.00 2.81 0.00 0.00 3.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 7 C 8.82 4.50 0.00 2.99 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 8 Q 8.56 4.61 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.31 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 9 C 7.56 4.99 0.00 3.02 3.04 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 10 I 7.91 3.83 1.88 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 1.47 0.81 0.92 0.00 0.00 11 K 7.86 4.62 0.00 1.84 1.80 0.00 1.48 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.50 7.81 12 T 8.23 4.74 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 1.23 0.00 0.00 13 Y 9.26 4.42 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.89 0.00 4.00 4.02 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 15 K 6.47 4.13 0.00 1.80 1.63 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.03 7.81 16 P 0.00 4.42 0.00 2.00 1.90 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 17 F 7.79 4.90 0.00 3.20 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 18 H 8.95 4.59 0.00 3.01 2.81 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.55 0.00 2.19 2.21 0.00 3.48 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.79 0.00 20 K 7.84 3.98 0.00 1.71 1.80 0.00 1.26 0.00 0.00 1.43 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 0.34 7.81 21 F 8.12 4.96 0.00 3.37 3.11 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 22 I 7.94 4.10 1.73 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.04 0.00 0.00 23 K 8.87 4.65 0.00 1.73 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.53 7.81 24 E 7.82 4.83 0.00 2.00 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 2.27 2.33 0.00 25 L 8.64 5.10 0.00 1.36 1.62 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.00 4.62 0.00 1.85 1.67 0.00 3.07 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 27 V 8.58 4.76 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 0.88 0.00 0.00 0.94 0.00 0.00 28 I 8.55 4.47 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.90 0.00 0.00 29 E 9.09 4.58 0.00 1.99 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 2.30 2.16 0.00 30 S 8.80 4.32 0.00 4.07 3.76 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 0.00 0.00 0.00 0.00 31 G 8.00 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 32 P 0.00 4.34 0.00 2.20 2.21 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 33 H 8.19 4.43 0.00 3.40 3.60 0.00 5.67 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 34 C 7.39 4.83 0.00 2.98 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 35 A 8.70 3.76 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.70 5.16 0.00 2.55 2.70 0.00 0.00 6.97 7.54 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 37 T 8.35 4.40 4.23 0.00 0.00 0.00 0.00 0.00 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 38 C 9.06 5.02 0.00 2.85 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 39 I 8.30 4.84 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.85 0.00 0.00 40 I 8.73 4.92 1.82 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 1.20 1.00 0.84 0.00 0.00 41 V 8.55 4.65 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.64 0.00 0.00 42 K 8.85 4.73 0.00 1.70 1.59 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.32 7.81 43 L 8.92 5.07 0.00 1.68 1.56 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.75 4.21 0.00 3.99 4.07 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 45 D 7.95 4.49 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.09 3.91 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 0.00 0.00 0.00 47 R 8.16 4.24 0.00 1.76 1.66 0.00 2.95 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 48 E 8.53 4.98 0.00 1.72 1.74 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 2.11 2.22 0.00 49 L 8.58 4.61 0.00 1.17 1.10 -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.51 4.88 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 51 L 8.67 4.96 0.00 1.35 1.38 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.51 4.43 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 54 K 7.85 4.11 0.00 1.87 1.90 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 55 E 7.91 4.12 0.00 1.88 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 56 N 8.92 4.34 0.00 2.88 2.95 0.00 0.00 6.89 7.68 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 57 W 8.25 4.31 0.00 3.64 3.36 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 0.00 58 V 6.61 2.94 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 0.91 0.00 0.00 -0.37 0.00 0.00 59 Q 7.68 3.94 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 60 R 7.83 3.93 0.00 2.03 2.03 0.00 3.32 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 61 V 7.77 3.65 2.27 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 1.18 0.00 0.00 1.20 0.00 0.00 62 V 8.09 3.68 2.23 0.00 0.00 0.00 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 0.95 0.00 0.00 63 E 8.57 3.96 0.00 2.20 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 2.33 2.37 0.00 64 K 8.65 3.99 0.00 2.12 1.93 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 65 F 8.15 4.22 0.00 3.06 3.30 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 66 L 7.89 3.99 0.00 1.94 1.68 0.92 0.99 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 67 K 7.91 3.83 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.61 7.81 68 R 8.15 3.74 0.00 1.96 1.82 0.00 3.13 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 69 A 7.84 3.71 1.09 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 70 E 7.42 4.39 0.00 1.90 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 2.43 2.24 0.00 71 N 7.59 4.91 0.00 2.78 2.80 0.00 0.00 6.82 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.52 4.23 0.00 3.92 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00