NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.3497 8.4449 116.7535 55.7183 32.1396 176.7301 10 E 4.2192 8.3051 121.2991 54.7835 28.2511 174.7614 11 E 4.5077 7.7116 117.6422 55.6390 34.0700 174.7679 12 E 4.5072 8.4568 124.3315 53.8257 32.6491 174.7684 13 L 4.0991 8.5723 127.5786 54.9823 41.4703 175.6765 14 V 4.2901 7.9909 125.5759 60.6657 34.0421 174.5401 15 D 4.5679 8.5701 126.7647 52.7816 41.0933 174.6600 16 P 4.2888 0.0000 0.0000 65.9436 30.6569 177.8336 17 L 3.9541 8.0224 119.9041 58.5196 41.9134 179.0037 18 T 3.8721 7.8568 109.3568 65.1081 68.5277 176.4407 19 T 3.8579 7.8073 117.8715 66.7161 68.6478 176.7138 20 I 3.8518 8.1160 121.8621 64.1698 37.0527 178.7074 21 R 3.9403 8.3000 119.5002 59.2163 29.4128 178.8749 22 E 4.0898 8.0278 118.1433 59.8753 29.3649 178.6055 23 H 4.1076 7.9346 116.7382 59.9107 29.8421 176.1583 24 C 4.3931 8.2425 117.2635 59.6918 40.2078 175.4854 25 E 3.9770 8.1473 118.7793 57.9385 29.9630 177.8877 26 Q 4.5535 7.4888 119.4283 54.9534 27.9276 175.5141 27 T 4.6557 6.8723 115.9935 60.9030 72.9899 175.0422 28 E 3.9008 9.0752 125.7269 59.7861 29.4790 179.6961 29 K 3.9830 7.9687 117.5245 59.6049 31.8628 179.0461 30 C 4.1808 8.0064 116.3926 62.9705 28.4283 175.7763 31 V 3.6963 8.3910 120.1090 66.4021 31.0679 178.3270 32 K 3.9987 8.1908 117.5536 59.3203 32.0566 179.2643 33 A 4.0492 7.9708 121.0312 55.3139 18.3798 179.5832 34 R 3.5163 9.3063 118.1619 59.3902 30.0452 178.4048 35 E 3.8789 7.9872 118.7273 59.4091 29.7400 179.1034 36 R 3.9897 7.9481 117.7822 58.7265 29.9721 178.9459 37 L 3.8929 7.7988 120.2242 58.3328 42.1862 178.7965 38 E 3.8992 8.0520 118.4601 59.3093 29.3088 179.6119 39 L 3.9423 7.7545 118.5830 57.7921 41.7477 178.4865 40 C 4.1811 8.1446 118.3650 59.7593 43.9988 174.8279 41 D 4.2583 8.6896 119.6807 57.4889 40.7086 178.0085 42 A 3.9735 8.0787 121.1464 55.4539 18.2153 179.9172 43 R 4.0748 7.8527 114.5110 58.6850 29.4686 178.8744 44 V 3.7134 8.3008 119.5699 66.0000 31.3264 178.2816 45 S 4.2298 8.2123 114.3846 60.8968 62.7078 175.5693 46 S 4.6559 7.8809 116.0975 57.4827 63.1987 173.5950 47 R 4.6950 7.1232 119.4153 55.2975 33.3205 175.4399 48 S 4.7739 8.6064 114.9577 58.7955 63.4669 174.5804 49 H 4.8853 7.8415 119.7838 55.7257 29.8762 172.4405 50 T 4.4532 7.9059 112.5833 59.7277 68.2147 174.1912 51 E 4.0687 8.7007 128.5347 58.3255 29.8839 177.1391 52 E 4.0551 7.5858 119.4435 56.4679 30.1401 175.6633 53 Q 4.6139 8.1553 121.7477 54.1802 33.0739 175.9627 54 C 5.5328 8.3000 115.8621 56.6245 39.0031 176.0264 55 T 3.4682 7.7156 119.0640 66.8171 67.8447 175.2543 56 E 3.8586 7.9709 120.1313 59.7236 29.5656 178.8557 57 E 3.9837 8.0455 117.6692 59.3336 29.5995 178.9611 58 L 4.1358 8.3699 120.8627 58.1026 42.1591 179.0842 59 F 4.5228 9.1734 118.6787 60.9015 38.9394 177.2442 60 D 4.5321 8.5669 118.7356 57.3577 40.5374 178.8870 61 F 4.1894 8.3679 120.8961 61.4551 39.5449 177.2451 62 L 3.7506 8.5674 119.0655 57.8178 41.3821 179.0662 63 H 3.9208 8.7665 118.2988 59.1898 29.8056 177.2517 64 A 3.9364 7.8581 122.4585 55.0201 18.1410 179.5382 65 R 3.5665 7.8578 117.5135 59.7800 30.1785 178.5531 66 D 4.2447 8.3120 118.8815 57.5129 40.4993 178.3643 67 H 4.0485 7.9504 118.2184 59.1379 29.7979 176.2869 68 C 4.3813 7.9101 120.1798 59.6068 41.9968 175.6125 69 V 3.4702 8.0138 119.8569 65.8996 29.8392 177.6756 70 A 3.7937 7.9337 120.5125 55.6160 17.9553 179.2790 71 H 4.2470 7.8280 113.1523 58.1721 29.1292 177.1330 72 K 4.4926 7.5419 118.9179 56.5379 33.9492 177.9438 73 L 4.0178 8.2005 121.3486 58.5169 41.8403 179.0238 74 F 4.5649 8.1988 114.4865 59.6433 38.9032 176.7004 75 N 4.6236 8.0825 115.9831 55.3222 38.3520 175.7338 76 K 4.5285 7.8279 117.8139 55.9270 32.3145 175.8314 77 L 4.8435 7.5846 117.6062 52.8825 45.3020 176.7537 78 K 4.1348 8.3880 118.1438 56.7188 32.2084 176.8604 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 *9 E 8.44 4.35 0.00 1.73 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 2.13 2.40 0.00 10 E 8.31 4.22 0.00 2.03 1.98 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 2.31 2.39 0.00 11 E 7.71 4.51 0.00 1.91 1.83 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 2.22 2.29 0.00 12 E 8.46 4.51 0.00 1.86 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 0.00 2.18 2.27 0.00 13 L 8.57 4.10 0.00 1.62 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.99 4.29 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 0.87 0.00 0.00 0.94 0.00 0.00 15 D 8.57 4.57 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.32 2.34 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 17 L 8.02 3.95 0.00 1.83 1.97 0.95 0.77 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 18 T 7.86 3.87 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 1.23 0.00 0.00 19 T 7.81 3.86 4.41 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 1.22 0.00 0.00 20 I 8.12 3.85 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.94 0.00 0.00 21 R 8.30 3.94 0.00 2.04 2.02 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 22 E 8.03 4.09 0.00 2.13 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 2.37 2.68 0.00 23 H 7.93 4.11 0.00 3.15 3.53 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.24 4.39 0.00 3.20 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 25 E 8.15 3.98 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 26 Q 7.49 4.55 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 27 T 6.87 4.66 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 1.22 0.00 0.00 28 E 9.08 3.90 0.00 2.02 1.97 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 2.39 2.44 0.00 29 K 7.97 3.98 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.51 7.81 30 C 8.01 4.18 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 3.70 2.28 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 1.05 0.00 0.00 1.06 0.00 0.00 32 K 8.19 4.00 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.78 7.81 33 A 7.97 4.05 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.31 3.52 0.00 1.48 2.29 0.00 3.12 0.00 0.00 2.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 35 E 7.99 3.88 0.00 2.33 2.14 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 2.30 2.33 0.00 36 R 7.95 3.99 0.00 1.95 1.97 0.00 3.19 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 37 L 7.80 3.89 0.00 1.76 1.74 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.05 3.90 0.00 2.15 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 2.24 2.51 0.00 39 L 7.75 3.94 0.00 1.84 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.14 4.18 0.00 2.98 3.22 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 0.00 0.00 0.00 0.00 41 D 8.69 4.26 0.00 2.81 2.79 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 0.00 0.00 0.00 42 A 8.08 3.97 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 43 R 7.85 4.07 0.00 1.98 2.07 0.00 3.06 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.53 0.00 44 V 8.30 3.71 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 1.07 0.00 0.00 0.96 0.00 0.00 45 S 8.21 4.23 0.00 4.03 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 46 S 7.88 4.66 0.00 4.06 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 47 R 7.12 4.69 0.00 1.77 1.83 0.00 3.11 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 48 S 8.61 4.77 0.00 3.83 3.85 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 49 H 7.84 4.89 0.00 2.97 3.21 0.00 5.90 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.91 4.45 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 1.20 0.00 0.00 51 E 8.70 4.07 0.00 1.96 1.97 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 2.25 2.20 0.00 52 E 7.59 4.06 0.00 1.89 1.83 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 2.30 2.26 0.00 53 Q 8.16 4.61 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 54 C 8.30 5.53 0.00 2.90 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 55 T 7.72 3.47 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 0.03 0.00 0.00 56 E 7.97 3.86 0.00 1.95 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 2.44 0.00 57 E 8.05 3.98 0.00 2.24 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 2.54 2.43 0.00 58 L 8.37 4.14 0.00 1.77 1.93 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.17 4.52 0.00 3.28 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 60 D 8.57 4.53 0.00 2.91 2.80 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 0.00 0.00 0.00 61 F 8.37 4.19 0.00 3.20 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 62 L 8.57 3.75 0.00 1.80 1.67 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.77 3.92 0.00 3.25 3.42 0.00 5.59 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 64 A 7.86 3.94 1.32 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 0.00 0.00 65 R 7.86 3.57 0.00 1.05 1.41 0.00 3.08 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 66 D 8.31 4.24 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.95 4.05 0.00 3.13 3.38 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.91 4.38 0.00 3.04 3.26 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 69 V 8.01 3.47 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 1.02 0.00 0.00 0.95 0.00 0.00 70 A 7.93 3.79 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.83 4.25 0.00 3.28 3.40 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.54 4.49 0.00 1.95 1.82 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.43 7.81 73 L 8.20 4.02 0.00 1.85 1.77 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.20 4.56 0.00 2.88 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 75 N 8.08 4.62 0.00 3.00 2.90 0.00 0.00 6.90 6.97 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 76 K 7.83 4.53 0.00 1.78 1.82 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 77 L 7.58 4.84 0.00 1.45 1.38 0.84 0.88 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 78 K 8.39 4.13 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.