NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 4.1313 8.3393 108.0281 46.1417 0.0000 172.3502 13 I 4.6442 8.5904 113.7715 58.7551 41.0489 173.1689 14 D 5.1183 8.9669 125.0435 53.1933 42.3892 177.0425 15 V 4.4556 8.4889 124.1812 60.0940 34.5043 172.9733 16 P 4.9230 0.0000 0.0000 62.6211 32.1240 176.1037 17 V 4.2920 9.0829 124.4171 58.9590 34.2599 173.3360 18 P 4.6178 0.0000 0.0000 62.9316 31.7004 178.0611 19 R 4.0508 8.9690 123.5094 58.6581 30.1544 177.1941 20 H 4.5807 8.0993 115.8946 57.1399 30.5271 175.9036 21 S 4.6125 8.1744 114.5556 59.5855 63.9908 176.4000 22 V 3.8491 7.8282 114.9759 64.0765 31.1597 178.3045 23 G 3.7267 8.1168 105.4122 47.8556 0.0000 175.7339 24 V 3.6784 7.6438 119.6142 65.6215 31.6052 178.0679 25 V 3.7923 7.6974 117.6577 65.9705 31.3444 177.9133 26 I 3.9677 8.5647 120.2230 60.8946 37.2165 178.3268 27 G 3.9989 8.6434 107.2384 46.6778 0.0000 176.6566 28 R 4.5105 8.3938 123.6311 55.1131 32.3833 176.6000 29 S 3.8583 9.4325 116.6769 58.6140 61.2663 171.7444 30 G 4.0345 8.0181 108.3963 45.2047 0.0000 174.8841 31 E 3.8567 8.5277 122.8055 59.2420 29.4823 178.7410 32 M 3.9936 7.8868 117.7141 58.7485 32.4023 177.9584 33 I 3.7589 7.2722 118.7099 63.6608 37.9803 178.0059 34 K 3.9279 8.2569 120.0383 59.1473 31.8576 179.1666 35 K 3.9445 8.0756 120.0318 59.2472 31.9728 179.0607 36 I 3.6684 7.7017 120.2123 64.6283 37.1581 178.3813 37 Q 3.9804 8.2804 119.0049 58.8258 28.2005 178.7568 38 N 4.2453 8.1095 117.7380 57.0143 39.2205 176.5650 39 D 4.4519 7.9947 118.5653 56.8542 41.0101 178.1962 40 A 4.1115 8.2782 121.1088 52.1538 19.0739 177.2105 41 G 3.6537 8.2346 104.4788 47.1280 0.0000 172.7406 42 V 4.6829 7.5334 110.5721 59.2234 36.5629 175.2746 43 R 4.7118 8.4167 120.5822 54.8009 32.6222 174.3716 44 I 4.7736 8.5795 126.6469 59.7590 39.6647 174.5246 45 Q 4.4987 8.7281 129.5991 53.9961 31.1446 174.5375 46 F 5.3088 8.6992 126.1074 57.4002 39.4150 175.8146 47 K 4.2350 9.0948 124.6585 55.6552 32.7985 177.2369 48 Q 4.0479 8.8502 121.9231 58.8924 28.3915 176.2946 49 D 4.6166 7.7363 116.8589 50.0173 47.3800 171.4891 50 D 4.5869 9.7784 129.0813 53.8274 42.0248 173.8056 51 G 4.3214 9.3984 115.4657 45.7934 0.0000 172.8627 52 T 4.4849 7.2798 110.9454 60.5979 70.2968 171.1575 53 G 3.9296 8.2917 105.9573 47.0082 0.0000 173.4229 54 P 4.5764 0.0000 0.0000 62.9420 31.8811 175.3025 55 E 5.1291 7.4988 116.8905 54.7555 33.1230 175.6623 56 K 4.5141 8.8665 122.2451 55.4068 35.3625 175.2957 57 I 4.8368 7.9325 121.1704 59.6429 39.2211 175.3989 58 A 4.9180 9.1688 131.1067 51.9757 19.7966 175.7310 59 H 5.2481 9.5682 124.6879 55.2401 30.8275 173.7991 60 I 5.3121 8.4565 127.4491 60.3492 38.7089 175.2528 61 M 4.9424 8.7085 124.0413 53.2952 37.0091 175.0786 62 G 4.1890 8.7827 108.6230 44.4734 0.0000 176.3521 63 P 4.5501 0.0000 0.0000 60.8306 31.8289 174.4711 64 P 4.2390 0.0000 0.0000 66.3191 31.3469 178.7134 65 D 4.6368 8.0113 118.3383 56.8497 40.8371 178.5011 66 R 3.9726 7.9953 118.8071 59.4749 29.9750 178.0466 67 C 4.1050 8.3160 116.8690 63.0507 28.1103 176.0234 68 E 3.9985 7.6801 119.9415 59.2572 29.0248 178.7886 69 H 4.1242 8.2077 118.2753 59.4326 30.0041 177.3257 70 A 4.0511 8.5136 122.6097 54.7838 18.1551 179.3855 71 A 3.9715 8.2277 119.9628 55.4483 18.4633 179.8735 72 R 3.9465 8.2639 117.2539 59.3304 29.9936 178.5853 73 I 3.6845 7.6182 119.3169 64.6398 37.0935 178.4833 74 I 3.7518 7.7761 120.3002 64.3238 36.9706 178.0089 75 N 4.2732 8.6716 118.2690 56.8184 38.5862 176.2834 76 D 4.3348 8.4181 118.4400 57.3553 41.1661 177.7143 77 L 4.1148 7.7916 120.8427 57.9359 42.1776 178.3640 78 L 4.2355 8.2120 117.7637 55.8374 41.4985 178.7157 79 Q 3.9282 7.6636 120.0552 59.5692 29.1334 178.2640 80 S 4.2885 7.9417 113.9688 61.3625 63.0031 176.1617 81 L 4.1833 7.2104 118.3486 56.7189 41.4974 177.7197 82 R 4.3333 8.4160 120.2063 56.3512 29.8706 175.9966 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 12 G 8.34 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.59 4.64 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 1.26 1.08 0.93 0.00 0.00 14 D 8.97 5.12 0.00 2.55 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 15 V 8.49 4.46 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 0.97 0.00 0.00 1.11 0.00 0.00 16 P 0.00 4.92 0.00 2.02 1.96 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 17 V 9.08 4.29 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 0.23 0.00 0.00 0.83 0.00 0.00 18 P 0.00 4.62 0.00 2.07 2.02 0.00 3.56 0.00 0.00 3.87 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 19 R 8.97 4.05 0.00 1.75 1.96 0.00 3.30 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 20 H 8.10 4.58 0.00 3.03 3.32 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 21 S 8.17 4.61 0.00 3.92 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 22 V 7.83 3.85 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 0.39 0.00 0.00 0.93 0.00 0.00 23 G 8.12 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 0.00 0.00 0.00 24 V 7.64 3.68 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 25 V 7.70 3.79 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.11 0.00 0.00 26 I 8.56 3.97 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.94 0.00 0.00 27 G 8.64 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 28 R 8.39 4.51 0.00 1.84 1.80 0.00 3.23 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 29 S 9.43 3.86 0.00 4.02 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 30 G 8.02 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 31 E 8.53 3.86 0.00 2.08 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 2.29 2.31 0.00 32 M 7.89 3.99 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.79 0.00 33 I 7.27 3.76 1.91 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.79 0.00 0.00 34 K 8.26 3.93 0.00 1.98 1.81 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.59 7.81 35 K 8.08 3.94 0.00 1.98 2.00 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 36 I 7.70 3.67 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.90 0.00 0.00 37 Q 8.28 3.98 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 38 N 8.11 4.25 0.00 2.75 2.94 0.00 0.00 7.24 8.40 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 39 D 7.99 4.45 0.00 2.66 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 A 8.28 4.11 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 41 G 8.23 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.53 4.68 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 0.80 0.00 0.00 0.91 0.00 0.00 43 R 8.42 4.71 0.00 1.84 1.70 0.00 3.04 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 44 I 8.58 4.77 1.74 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 1.24 0.77 0.87 0.00 0.00 45 Q 8.73 4.50 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 46 F 8.70 5.31 0.00 2.92 2.89 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 47 K 9.09 4.23 0.00 1.62 1.91 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 48 Q 8.85 4.05 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 49 D 7.74 4.62 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.78 4.59 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.40 4.32 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 0.00 52 T 7.28 4.48 4.22 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 1.24 0.00 0.00 53 G 8.29 3.93 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 0.00 0.00 0.00 54 P 0.00 4.58 0.00 2.21 2.28 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 55 E 7.50 5.13 0.00 1.84 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 2.19 2.22 0.00 56 K 8.87 4.51 0.00 1.28 1.54 0.00 1.51 0.00 0.00 1.32 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.27 7.81 57 I 7.93 4.84 1.86 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 1.51 0.95 1.00 0.00 0.00 58 A 9.17 4.92 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 0.00 0.00 0.00 0.00 0.00 59 H 9.57 5.25 0.00 3.25 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.46 5.31 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.27 0.97 0.00 0.00 61 M 8.71 4.94 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 62 G 8.78 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.55 0.00 2.18 1.97 0.00 3.60 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 2.12 0.00 64 P 0.00 4.24 0.00 2.26 2.31 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 65 D 8.01 4.64 0.00 2.80 2.76 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 66 R 8.00 3.97 0.00 1.93 2.12 0.00 3.47 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 67 C 8.32 4.11 0.00 3.19 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 68 E 7.68 4.00 0.00 2.28 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 2.34 2.49 0.00 69 H 8.21 4.12 0.00 3.22 3.44 0.00 5.60 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 70 A 8.51 4.05 1.37 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 71 A 8.23 3.97 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.26 3.95 0.00 1.95 2.12 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 73 I 7.62 3.68 2.06 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 1.55 1.37 0.92 0.00 0.00 74 I 7.78 3.75 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.99 0.00 0.00 75 N 8.67 4.27 0.00 2.84 2.82 0.00 0.00 6.91 8.49 0.00 0.00 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 D 8.42 4.33 0.00 2.80 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 77 L 7.79 4.11 0.00 1.85 1.89 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.21 4.24 0.00 1.86 1.69 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.66 3.93 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 80 S 7.94 4.29 0.00 3.88 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 81 L 7.21 4.18 0.00 1.82 1.72 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.42 4.33 0.00 1.90 1.90 0.00 3.10 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00