NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9174 8.3549 109.7369 45.4220 0.0000 175.0571 2 K 4.3202 8.6318 125.1460 54.8770 32.9668 173.7450 3 E 4.8095 9.1784 126.0517 55.9526 31.5734 176.6323 4 C 5.4758 7.7976 114.3691 53.2674 41.0907 173.4195 5 D 4.4856 8.2556 122.7783 56.6298 41.2503 175.6257 6 C 5.0208 7.9448 110.4359 53.7417 44.2482 173.2029 7 S 4.6289 8.1036 112.0271 57.7467 62.6613 173.6019 8 S 4.6595 7.6973 116.1264 56.2180 64.2807 172.2743 9 P 4.6834 0.0000 0.0000 63.3571 31.3171 175.9426 10 E 4.5334 7.7579 117.8446 55.7669 31.3661 175.3595 11 N 4.4224 7.6469 116.5661 53.7236 39.3975 172.8007 12 P 4.6702 0.0000 0.0000 63.3196 31.9462 177.2275 13 C 5.0739 8.0247 114.3983 57.5714 46.6298 171.6056 14 C 5.0824 8.0738 111.3065 54.1703 39.1993 173.0994 15 D 4.4812 8.9660 124.2710 54.6821 41.0992 177.3750 16 A 4.0420 8.8811 128.5330 54.5868 18.8547 178.1962 17 A 4.1639 7.8340 118.8047 55.2016 18.6928 178.1043 18 T 4.5778 7.8536 109.8054 62.3658 68.3618 171.2960 19 C 4.3353 8.1292 110.7463 55.3358 42.0367 172.4081 20 K 4.9922 7.4914 119.7389 55.2065 34.8589 175.5805 21 L 5.5466 8.7484 121.5683 54.7413 42.4149 176.5870 22 R 4.6806 8.2353 115.4473 53.6931 32.3238 174.4227 23 P 4.6969 0.0000 0.0000 62.0567 28.4492 174.7956 24 G 3.7841 7.2694 121.9051 47.1357 0.0000 172.8462 25 A 4.3441 7.6081 124.6320 50.6714 20.2080 176.5182 26 Q 4.1717 7.3485 114.3972 55.4076 29.8612 174.7837 27 C 4.9834 7.5416 114.1013 57.1417 46.1724 173.8943 28 G 3.7000 8.5202 112.6967 45.8268 0.0000 173.8210 29 E 4.7105 7.6778 113.4171 55.9135 31.3436 175.4554 30 G 3.9923 8.1638 109.8592 45.1774 0.0000 173.1642 31 L 4.1337 8.5133 118.4608 57.1325 42.4808 178.5737 32 C 4.9010 8.3004 115.5483 55.8145 40.5946 173.7684 33 C 4.9177 7.6979 115.4547 54.6042 41.7243 175.1458 34 E 4.0454 8.5913 127.6852 55.7535 29.2902 176.5155 35 Q 4.0564 8.6427 117.3972 57.8993 27.6128 177.6953 36 C 4.4686 8.4765 126.0370 55.1732 38.7953 173.4852 37 K 4.4360 7.6470 117.0356 54.9204 35.0813 173.3725 38 F 4.7120 9.0112 124.8478 58.5171 39.3746 175.5490 39 S 4.4127 8.4411 120.7023 59.1735 63.2799 173.9301 40 R 4.6610 8.3499 118.1135 54.7056 31.4847 176.8862 41 A 4.6718 8.0045 124.1343 52.5012 18.5606 177.8204 42 G 4.0237 8.5339 103.8731 46.6064 0.0000 173.0225 43 K 4.4574 7.3174 121.5294 54.0905 34.3103 175.0823 44 I 5.1314 8.5721 128.0513 60.3169 38.1557 174.6407 45 C 4.4664 8.8425 124.3093 56.4397 40.7924 173.3289 46 R 4.4250 7.3948 118.3641 56.0146 34.0197 173.3732 47 I 4.1394 8.3321 124.5702 58.9445 38.0086 175.1762 48 A 3.6969 7.6493 131.1209 51.6076 17.9455 176.0498 49 K 4.2623 8.5190 119.7831 57.6494 32.0254 178.2282 50 G 3.3267 8.6560 113.8650 45.9945 0.0000 168.8724 51 D 3.7798 6.0500 130.7358 54.3980 39.2182 173.2141 52 W 3.9789 7.3524 122.0522 57.1473 32.0319 172.7604 53 N 4.9115 8.6728 116.8243 51.9977 38.9562 174.7530 54 D 4.0924 8.5883 123.3956 54.2278 41.7114 175.6018 55 D 4.3609 8.0210 122.6258 54.1293 41.9162 175.3634 56 R 5.0226 8.4588 125.9741 55.1023 32.8547 175.3045 57 C 5.0424 8.8233 120.0216 55.4847 43.7656 174.3612 58 T 4.3578 8.0840 110.4965 61.1132 70.7493 175.2644 59 G 4.1050 8.4955 112.7298 45.8033 0.0000 174.8368 60 Q 4.8956 8.1973 113.4008 56.7722 30.5323 174.1285 61 S 4.1966 7.7327 113.4737 57.0153 65.8274 172.9884 62 A 4.2600 7.4605 125.2526 53.9680 20.1398 177.9792 63 D 4.7785 7.5089 112.9975 54.4758 41.5914 176.1923 64 C 4.7665 8.1200 118.4154 54.3967 46.4749 171.7688 65 P 4.4487 0.0000 0.0000 61.8634 30.4618 176.1987 66 R 4.3782 8.4217 120.9992 56.4007 30.6226 174.3777 67 Y 4.6005 7.6348 120.7127 57.8066 40.7722 173.3484 68 H 4.3493 5.9461 121.0251 55.1847 28.9904 174.5570 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 1 G 8.35 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.63 4.32 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.53 7.81 3 E 9.18 4.81 0.00 1.90 1.88 0.00 0.00 0.00 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 2.27 0.00 4 C 7.80 5.48 0.00 2.90 3.15 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 0.00 0.00 0.00 0.00 5 D 8.26 4.49 0.00 2.64 2.75 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 6 C 7.94 5.02 0.00 3.10 3.06 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 7 S 8.10 4.63 0.00 3.84 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 8 S 7.70 4.66 0.00 3.83 3.79 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 9 P 0.00 4.68 0.00 2.22 2.14 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 10 E 7.76 4.53 0.00 1.90 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 2.17 2.19 0.00 11 N 7.65 4.42 0.00 2.88 2.72 0.00 0.00 7.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.67 0.00 2.22 2.12 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 13 C 8.02 5.07 0.00 2.97 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 14 C 8.07 5.08 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.97 4.48 0.00 2.74 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 16 A 8.88 4.04 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 17 A 7.83 4.16 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 18 T 7.85 4.58 4.24 0.00 0.00 0.00 0.00 0.00 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 C 8.13 4.34 0.00 3.22 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.49 4.99 0.00 1.75 1.77 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.64 7.81 21 L 8.75 5.55 0.00 1.61 1.63 1.03 1.02 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 22 R 8.24 4.68 0.00 1.84 1.99 0.00 2.96 0.00 0.00 3.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 23 P 0.00 4.70 0.00 2.18 2.12 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 24 G 7.27 3.78 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 0.00 0.00 0.00 25 A 7.61 4.34 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 26 Q 7.35 4.17 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 27 C 7.54 4.98 0.00 3.34 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 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 0.00 0.00 0.00 29 E 7.68 4.71 0.00 2.04 1.90 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 2.06 2.17 0.00 30 G 8.16 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 0.00 0.00 0.00 31 L 8.51 4.13 0.00 1.62 1.71 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.30 4.90 0.00 2.99 2.90 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 33 C 7.70 4.92 0.00 2.94 3.08 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 34 E 8.59 4.05 0.00 1.96 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 2.34 2.32 0.00 35 Q 8.64 4.06 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 36 C 8.48 4.47 0.00 3.14 3.08 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 37 K 7.65 4.44 0.00 1.93 1.63 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.42 7.81 38 F 9.01 4.71 0.00 2.86 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 39 S 8.44 4.41 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 4.66 0.00 1.70 1.85 0.00 3.24 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 41 A 8.00 4.67 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.53 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 0.00 0.00 0.00 43 K 7.32 4.46 0.00 2.13 1.66 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 44 I 8.57 5.13 1.86 0.00 0.00 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 1.01 1.52 0.91 0.00 0.00 45 C 8.84 4.47 0.00 2.99 3.15 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 0.00 0.00 0.00 0.00 46 R 7.39 4.43 0.00 1.86 1.70 0.00 3.01 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 47 I 8.33 4.14 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.91 0.00 0.00 48 A 7.65 3.70 -1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.26 0.00 2.32 1.90 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.47 7.81 50 G 8.66 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.05 3.78 0.00 2.39 2.49 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 0.00 0.00 0.00 0.00 52 W 7.35 3.98 0.00 3.48 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 53 N 8.67 4.91 0.00 2.70 2.69 0.00 0.00 6.83 8.08 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 54 D 8.59 4.09 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.02 4.36 0.00 3.11 2.57 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 56 R 8.46 5.02 0.00 1.78 1.72 0.00 3.23 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 57 C 8.82 5.04 0.00 2.84 2.87 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 0.00 0.00 0.00 58 T 8.08 4.36 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 1.16 0.00 0.00 59 G 8.50 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.20 4.90 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 61 S 7.73 4.20 0.00 3.65 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.46 4.26 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 63 D 7.51 4.78 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.12 4.77 0.00 2.82 2.86 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 0.00 0.00 0.00 0.00 65 P 0.00 4.45 0.00 2.21 2.07 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 66 R 8.42 4.38 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 67 Y 7.63 4.60 0.00 3.10 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 68 H 5.95 4.35 0.00 1.98 2.86 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00