NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 D 4.5397 8.2233 120.1772 54.5791 41.0638 175.3695 39 H 4.4816 8.4658 120.7922 55.8019 29.0629 175.5697 40 R 3.9776 8.8888 120.9497 58.4543 30.9945 176.1765 41 N 4.6746 7.7211 116.0058 51.8970 38.7564 174.4418 42 K 4.4892 8.3251 122.9102 54.2086 34.0132 176.4849 43 A 4.1367 8.3194 126.3014 52.2256 19.0471 177.3179 44 M 4.2965 8.2178 121.2774 55.0888 33.1566 176.9873 45 I 3.8156 8.0511 121.7218 63.8172 37.7654 176.0435 46 N 4.5844 7.4077 117.9260 52.3798 39.3452 174.2864 47 L 4.2672 8.4285 125.4397 56.5125 42.5686 177.1093 48 H 4.9202 7.9522 110.5992 54.8703 31.3449 173.1747 49 I 4.0353 8.5255 121.7753 61.8845 38.1359 176.0738 50 Q 3.3859 8.8283 124.9080 57.0389 26.1523 175.5169 51 K 4.1570 7.9006 115.4064 58.4901 32.6608 178.3065 52 D 4.4708 8.0143 117.0314 53.9288 39.9251 175.3449 53 N 4.7850 7.9114 120.1199 51.3355 39.5149 172.9254 54 P 4.3101 0.0000 0.0000 64.5206 31.8706 176.4551 55 K 4.0859 8.0734 119.9844 55.7500 33.9611 174.8783 56 I 4.2164 8.3519 128.8756 60.4154 37.2867 175.6833 57 V 4.5454 8.2372 124.8290 61.1104 34.1605 174.2021 58 H 4.6933 8.7287 122.5788 53.7248 31.5169 173.1525 59 A 4.5271 7.7836 124.6310 50.2747 21.5679 175.4830 60 F 4.9855 8.4892 120.7090 55.5497 42.8189 174.4005 61 D 4.7644 8.6218 123.6929 53.6440 41.9212 177.4597 62 M 4.1274 8.9068 123.4357 58.7119 32.1586 178.6066 63 E 3.9822 8.2194 116.4298 58.7928 29.6989 177.2288 64 D 4.7465 7.9674 116.5925 54.4388 41.4086 177.2078 65 L 4.1193 8.0197 119.2292 54.8620 42.6013 178.9958 66 G 3.8176 7.9226 106.2481 45.6080 0.0000 173.4266 67 D 4.4610 8.4956 117.3651 56.6776 41.4398 175.7546 68 K 4.7300 7.3343 116.1505 55.4815 35.0948 174.3442 69 A 4.4333 8.7041 127.4405 50.1297 23.0957 175.0401 70 V 4.4770 8.0130 121.2862 61.3765 34.2841 173.6245 71 Y 5.0303 8.9939 126.4553 56.2720 40.3318 174.8815 72 C 4.4973 8.5230 124.7545 59.1927 32.1945 173.4590 73 R 4.6010 8.7191 123.0149 55.9904 29.7046 175.6934 74 C 4.7115 7.9589 112.5010 56.9377 30.9524 174.4976 75 W 3.3899 8.0668 118.5390 57.8664 25.8620 174.7101 76 R 4.6123 7.4047 115.9901 55.7509 31.4893 176.5329 77 S 4.5592 8.0974 112.7871 58.4480 62.7915 173.9632 78 K 4.3723 9.4029 125.7458 57.5256 32.2086 177.6698 79 K 4.6954 8.2496 119.1025 55.6697 32.8822 175.5906 80 F 4.0901 8.4232 121.0299 58.2059 39.7059 173.0201 81 P 2.9700 0.0000 0.0000 62.1848 31.4473 175.4323 82 F 4.7291 7.3228 118.4894 56.3683 39.9401 175.2024 83 C 4.2991 8.5448 125.7685 59.6245 31.7080 172.9796 84 D 4.8327 9.0661 125.1554 53.0693 39.5911 176.8626 85 G 3.8337 8.4038 108.1541 45.6689 0.0000 175.5927 86 A 4.0857 8.2053 122.1185 55.0378 18.1993 179.3040 87 H 4.2911 8.1714 113.5292 58.9669 28.4309 177.8852 88 T 3.8512 7.6119 118.6108 66.5173 68.3016 176.4805 89 K 3.9517 7.9806 121.0290 59.5177 32.2885 177.9428 90 H 4.1327 8.1357 118.1213 59.5476 29.7683 176.8901 91 N 4.2639 8.5905 118.4813 56.3881 38.1662 177.0919 92 E 3.9359 8.1296 119.5664 59.2987 29.7943 178.3984 93 E 4.1591 8.3281 118.2349 58.4791 29.6825 178.2187 94 T 4.4909 7.9791 107.2066 60.7940 70.1687 175.4778 95 G 3.8168 8.1325 109.6936 45.4645 0.0000 172.9185 96 D 4.7597 7.3567 119.7953 53.7056 42.1216 175.4044 97 N 5.0880 8.1516 116.5996 52.0924 37.3033 175.0255 98 V 4.0728 8.1929 111.2036 62.4183 32.8656 175.2755 99 G 4.1070 7.8900 107.9444 44.8030 0.0000 170.4492 100 P 4.8578 0.0000 0.0000 62.2102 33.2521 175.0049 101 L 4.7531 8.7435 121.5628 53.3612 44.1950 174.8204 102 I 4.9628 8.4726 126.6689 59.6084 39.6497 174.8367 103 I 4.6710 8.7215 127.8799 59.4980 39.8048 175.0567 104 K 4.8616 8.3805 125.0308 55.9492 35.8580 174.9308 105 K 4.4258 8.0560 119.3599 54.6113 33.2875 177.0299 106 K 4.0074 8.7479 122.9988 57.0090 31.9602 176.1712 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 38 D 8.22 4.54 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.47 4.48 0.00 3.25 3.32 0.00 5.95 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 40 R 8.89 3.98 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 41 N 7.72 4.67 0.00 2.62 2.75 0.00 0.00 6.93 7.46 0.00 0.00 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 K 8.33 4.49 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.48 7.81 43 A 8.32 4.14 1.22 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 0.00 0.00 44 M 8.22 4.30 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 45 I 8.05 3.82 1.56 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 1.26 0.40 0.76 0.00 0.00 46 N 7.41 4.58 0.00 1.68 2.18 0.00 0.00 6.93 7.78 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 47 L 8.43 4.27 0.00 1.48 1.32 0.91 0.98 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 48 H 7.95 4.92 0.00 3.07 3.26 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.53 4.04 2.05 0.00 0.00 0.55 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 0.50 0.92 0.00 0.00 50 Q 8.83 3.39 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 51 K 7.90 4.16 0.00 1.75 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.35 7.81 52 D 8.01 4.47 0.00 2.79 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 53 N 7.91 4.78 0.00 2.73 2.95 0.00 0.00 7.16 7.01 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 54 P 0.00 4.31 0.00 2.20 2.14 0.00 3.85 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 55 K 8.07 4.09 0.00 1.69 1.70 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 56 I 8.35 4.22 2.31 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 1.29 0.00 0.00 57 V 8.24 4.55 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 0.82 0.00 0.00 0.96 0.00 0.00 58 H 8.73 4.69 0.00 3.01 2.76 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 59 A 7.78 4.53 1.06 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 60 F 8.49 4.99 0.00 3.03 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 61 D 8.62 4.76 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 62 M 8.91 4.13 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 63 E 8.22 3.98 0.00 1.96 2.04 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 2.33 2.42 0.00 64 D 7.97 4.75 0.00 2.97 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 65 L 8.02 4.12 0.00 1.74 1.71 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.92 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.50 4.46 0.00 2.68 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 68 K 7.33 4.73 0.00 1.66 1.54 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.33 7.81 69 A 8.70 4.43 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.48 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 0.97 0.00 0.00 0.84 0.00 0.00 71 Y 8.99 5.03 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.52 4.50 0.00 3.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 4.60 0.00 2.01 1.95 0.00 3.26 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 74 C 7.96 4.71 0.00 3.09 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 75 W 8.07 3.39 0.00 3.36 3.18 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 76 R 7.40 4.61 0.00 1.96 1.98 0.00 3.40 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 77 S 8.10 4.56 0.00 3.93 3.96 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 78 K 9.40 4.37 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.45 7.81 79 K 8.25 4.70 0.00 1.98 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 80 F 8.42 4.09 0.00 3.11 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 81 P 0.00 2.97 0.00 1.50 1.05 0.00 3.39 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.55 0.00 82 F 7.32 4.73 0.00 3.12 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 83 C 8.54 4.30 0.00 2.94 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 84 D 9.07 4.83 0.00 2.77 2.71 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 85 G 8.40 3.83 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 0.00 0.00 0.00 86 A 8.21 4.09 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 87 H 8.17 4.29 0.00 3.42 3.64 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.61 3.85 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 1.21 0.00 0.00 89 K 7.98 3.95 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 90 H 8.14 4.13 0.00 3.38 3.57 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.59 4.26 0.00 2.92 2.95 0.00 0.00 6.75 7.38 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 92 E 8.13 3.94 0.00 1.95 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 2.33 2.39 0.00 93 E 8.33 4.16 0.00 2.17 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 0.00 2.35 2.41 0.00 94 T 7.98 4.49 4.21 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 1.24 0.00 0.00 95 G 8.13 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.36 4.76 0.00 2.57 2.84 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 0.00 0.00 0.00 97 N 8.15 5.09 0.00 2.83 2.82 0.00 0.00 5.99 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 98 V 8.19 4.07 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 0.82 0.00 0.00 1.11 0.00 0.00 99 G 7.89 4.11 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 0.00 100 P 0.00 4.86 0.00 2.08 2.08 0.00 3.58 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 101 L 8.74 4.75 0.00 1.79 1.62 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.47 4.96 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 1.32 0.76 0.90 0.00 0.00 103 I 8.72 4.67 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.97 0.00 0.00 104 K 8.38 4.86 0.00 1.72 1.83 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.52 7.81 105 K 8.06 4.43 0.00 1.71 1.77 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.35 7.81 106 K 8.75 4.01 0.00 1.71 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81