NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6723 8.3544 109.7363 46.0033 0.0000 171.1293 2 S 3.2993 8.6032 119.1247 55.9198 61.3896 170.3385 3 S 4.5078 8.6206 123.4456 57.1664 66.3659 172.5210 4 G 3.8173 9.1756 109.3593 47.9835 0.0000 173.2205 5 S 4.4267 9.0810 111.3438 59.3544 68.2758 169.1568 6 S 3.4443 8.9678 120.6670 58.4396 63.0896 167.6994 7 G 3.9257 9.0380 122.3343 45.8122 0.0000 171.0786 8 M 4.5300 8.6042 122.1582 56.3366 34.0777 175.0046 9 S 4.5883 7.6471 109.0096 56.3947 66.0194 173.7866 10 V 3.5572 8.3332 113.9459 62.0998 31.5008 175.6359 11 N 4.9981 8.5427 121.8059 51.0620 40.1584 175.4916 12 M 4.3540 8.2109 120.5134 54.6356 29.0902 176.6702 13 D 4.2154 7.9670 122.8321 58.3839 42.0075 176.8512 14 E 3.8590 8.0718 118.1073 59.6712 29.5606 178.7885 15 L 3.7795 7.9501 117.7196 58.1508 41.6222 179.2334 16 R 3.9174 8.4357 118.3507 60.4300 30.0607 177.4319 17 H 4.3538 8.1426 117.3259 59.4175 29.7991 176.3518 18 Q 3.7775 8.4698 121.1349 59.4503 28.9377 179.4251 19 V 3.6100 8.4968 119.2089 66.5849 31.4658 177.3294 20 M 4.2206 8.9381 119.1511 59.2965 31.8810 178.3111 21 I 3.6995 8.6939 118.6270 64.8982 37.3968 177.3254 22 N 4.2120 8.4937 116.8700 57.7439 38.4517 176.5568 23 Q 4.0447 8.7684 119.0107 59.4248 28.8721 178.7684 24 F 3.8373 9.7954 122.1142 61.7528 39.2383 177.9522 25 V 3.5675 8.3648 118.0343 65.5984 31.0695 178.1876 26 L 3.9620 8.2948 118.1734 57.6371 41.6883 178.6561 27 A 4.2019 8.9949 119.7282 55.9708 18.3955 178.6539 28 A 4.1908 7.7030 118.3863 50.5130 18.7581 177.5085 29 G 4.0715 7.8605 107.8793 46.0782 0.0000 173.0502 30 C 4.8464 7.7383 118.0075 56.9729 30.9458 173.6795 31 A 4.1193 8.2553 121.9072 52.5762 18.3895 178.7243 32 A 4.0175 8.5288 122.2518 55.1795 18.5707 179.9318 33 D 4.3194 8.0419 116.1823 57.3540 40.7170 178.3142 34 Q 3.8359 7.6846 117.6849 59.5137 28.6145 177.9454 35 A 3.3221 7.4622 118.7321 55.5824 18.0133 179.1013 36 K 3.5323 7.8126 114.6963 59.6154 32.2617 178.5667 37 Q 4.1301 7.8700 117.3126 59.6006 28.9451 179.3016 38 L 3.8492 8.7662 119.7552 57.7936 41.1188 179.1922 39 L 3.3216 8.1083 119.0844 58.2909 41.4378 179.4617 40 Q 3.2152 7.5952 119.3571 58.7939 28.9320 177.8663 41 A 4.3810 7.8483 119.4445 51.7535 18.7906 177.1409 42 A 4.2569 6.9768 120.5505 52.6401 19.9607 177.0347 43 H 4.2657 9.1008 112.4319 57.9550 26.4621 174.9566 44 W 3.4063 8.8477 116.5642 58.5343 26.7129 176.3906 45 Q 4.5039 8.8227 120.3055 54.3899 24.8626 175.3361 46 F 4.3506 8.3484 125.2386 61.6772 39.9528 175.7859 47 E 4.1885 8.7668 116.9555 60.6051 29.1462 179.5376 48 T 3.9796 8.1610 114.2253 66.5976 68.6379 176.0598 49 A 4.3794 9.2006 123.4993 55.4419 18.3917 179.3931 50 L 3.6672 9.5063 118.9966 58.3003 42.1947 178.7838 51 S 4.3021 8.7843 113.4701 62.3901 62.0666 176.0316 52 T 3.9157 9.0567 117.8153 66.0940 68.2658 175.9983 53 F 4.2283 8.9288 123.5262 61.6415 39.5997 177.3495 54 F 3.9838 8.4035 116.2198 59.8246 40.1351 177.2237 55 Q 4.4869 7.6177 116.6837 55.2514 25.3599 175.1970 56 E 4.0186 7.6091 123.8336 60.4681 31.0609 179.2508 57 T 4.2475 7.5840 108.0663 59.6369 67.2227 175.9223 58 N 4.7542 7.0336 118.8464 54.0143 40.9748 174.5294 59 I 4.4021 7.7924 115.7416 58.2912 40.4560 175.3451 60 P 4.5692 0.0000 0.0000 61.4770 29.8727 175.8783 61 N 4.2377 7.5671 116.3256 55.1111 39.8811 172.5758 62 S 4.5103 8.9670 126.0312 59.3821 65.2629 177.8961 63 H 3.8248 8.2044 115.8313 56.5540 28.0097 174.6990 64 H 4.7014 8.4949 112.3381 55.1932 30.9349 171.7527 65 H 3.9649 8.5006 115.3474 55.8664 28.9607 175.5147 66 H 4.2121 8.8321 122.1140 56.3203 29.7098 174.5961 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 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 3.30 0.00 4.06 3.87 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 3 S 8.62 4.51 0.00 4.01 3.84 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 4 G 9.18 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 5 S 9.08 4.43 0.00 3.78 3.80 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 6 S 8.97 3.44 0.00 4.02 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 7 G 9.04 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 8 M 8.60 4.53 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 9 S 7.65 4.59 0.00 3.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.56 2.07 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 0.69 0.00 0.00 0.92 0.00 0.00 11 N 8.54 5.00 0.00 2.73 2.74 0.00 0.00 6.24 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 M 8.21 4.35 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 13 D 7.97 4.22 0.00 2.88 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 14 E 8.07 3.86 0.00 2.06 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 2.40 2.47 0.00 15 L 7.95 3.78 0.00 1.70 1.71 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.44 3.92 0.00 1.95 2.06 0.00 3.31 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 17 H 8.14 4.35 0.00 2.81 3.38 0.00 5.69 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 18 Q 8.47 3.78 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 19 V 8.50 3.61 2.31 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 1.02 0.00 0.00 1.00 0.00 0.00 20 M 8.94 4.22 0.00 2.39 2.54 0.00 0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.94 0.00 21 I 8.69 3.70 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.94 0.00 0.00 22 N 8.49 4.21 0.00 2.83 3.02 0.00 0.00 7.38 6.91 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 23 Q 8.77 4.04 0.00 2.54 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 24 F 9.80 3.84 0.00 2.70 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 25 V 8.36 3.57 2.29 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 1.04 0.00 0.00 1.05 0.00 0.00 26 L 8.29 3.96 0.00 1.90 1.75 1.01 0.79 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 27 A 8.99 4.20 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.70 4.19 0.74 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 0.00 0.00 0.00 0.00 0.00 29 G 7.86 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 0.00 0.00 0.00 30 C 7.74 4.85 0.00 2.83 2.88 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 31 A 8.26 4.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.02 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 33 D 8.04 4.32 0.00 2.77 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 34 Q 7.68 3.84 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 35 A 7.46 3.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 3.53 0.00 1.75 1.79 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.30 7.81 37 Q 7.87 4.13 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 38 L 8.77 3.85 0.00 1.49 1.04 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.11 3.32 0.00 0.80 0.70 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.60 3.22 0.00 1.47 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.29 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 41 A 7.85 4.38 1.15 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 0.00 0.00 42 A 6.98 4.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.10 4.27 0.00 3.35 3.47 0.00 6.01 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.85 3.41 0.00 3.42 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 45 Q 8.82 4.50 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 46 F 8.35 4.35 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 4.19 0.00 2.16 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 2.59 2.51 0.00 48 T 8.16 3.98 4.50 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 1.29 0.00 0.00 49 A 9.20 4.38 1.17 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 0.00 0.00 50 L 9.51 3.67 0.00 2.04 1.96 -1.21 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.78 4.30 0.00 4.19 4.09 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 52 T 9.06 3.92 4.56 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 1.26 0.00 0.00 53 F 8.93 4.23 0.00 2.95 3.37 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 54 F 8.40 3.98 0.00 3.35 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 55 Q 7.62 4.49 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 56 E 7.61 4.02 0.00 1.93 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 2.31 2.41 0.00 57 T 7.58 4.25 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 1.18 0.00 0.00 58 N 7.03 4.75 0.00 2.72 2.80 0.00 0.00 7.15 7.44 0.00 0.00 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 I 7.79 4.40 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.97 0.00 0.00 60 P 0.00 4.57 0.00 2.21 2.15 0.00 3.82 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 2.00 1.96 0.00 61 N 7.57 4.24 0.00 2.70 2.82 0.00 0.00 7.11 7.64 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 62 S 8.97 4.51 0.00 4.02 3.81 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 63 H 8.20 3.82 0.00 3.34 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.49 4.70 0.00 3.01 3.18 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.50 3.96 0.00 3.29 3.37 0.00 5.78 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 66 H 8.83 4.21 0.00 3.15 3.20 0.00 5.76 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