NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4529 8.1633 118.3241 55.3147 33.6105 173.4600 2 Q 4.8701 8.2031 118.2577 52.4810 31.0472 173.4345 3 I 4.5019 8.9523 117.6618 58.9030 42.1188 173.7197 4 F 5.4739 8.7848 121.0953 55.7160 42.3252 174.6716 5 V 4.7842 9.1411 122.6676 60.9807 34.2169 173.9231 6 K 5.1664 9.4417 129.9727 54.8884 34.4488 175.4166 7 T 5.1601 8.5962 117.7245 59.7157 70.5147 175.9244 8 L 3.9708 8.7203 122.5496 57.9848 41.7015 178.4897 9 T 4.1701 7.9042 106.1326 61.5742 69.1381 174.8310 10 G 3.7902 8.3194 110.5775 46.3517 0.0000 173.2264 11 K 4.5097 7.9271 120.3980 55.0108 34.3453 175.3060 12 T 4.9783 8.4275 122.3037 62.0059 71.0212 173.2292 13 I 4.4878 9.0506 128.3393 59.9535 39.4205 175.0978 14 T 4.8982 8.6070 123.7384 62.7734 69.7397 174.0907 15 L 4.7469 8.9089 126.1710 52.8126 45.0993 174.9270 16 E 4.9270 8.6644 123.9492 55.0378 30.5762 175.2867 17 V 4.6043 8.7511 119.6043 59.9288 36.4794 174.3399 18 E 4.6245 8.6059 120.9144 54.5700 31.5782 177.4877 19 S 4.2332 8.8558 117.7214 60.9562 62.6348 175.4911 20 S 4.5123 7.8257 112.4897 57.8188 63.1884 173.5828 21 D 4.4562 8.3146 123.0226 54.6690 41.2151 176.4705 22 T 4.5795 8.2567 114.1307 61.4071 71.1293 175.7986 23 I 3.7096 8.3365 123.1300 64.4528 36.9905 178.4248 24 D 4.3597 8.1269 119.3795 57.5036 40.7191 178.2456 25 N 4.2392 8.0139 117.0266 56.7537 39.0581 176.8723 26 V 3.5477 7.8678 119.5283 66.0474 31.5227 178.0823 27 K 4.2398 8.9540 120.0399 58.9933 31.9173 179.4856 28 S 4.1691 8.3696 114.3275 60.9946 62.8173 176.6743 29 K 4.1804 7.9498 122.6521 59.2394 31.6213 179.3737 30 I 3.7253 7.6178 120.0819 64.4526 37.0954 178.1343 31 Q 3.7804 8.2642 120.4862 59.2270 28.5289 178.1761 32 D 4.3229 7.8757 119.1703 57.3504 41.0110 178.3046 33 K 4.1495 7.5483 118.4050 58.4067 32.3966 177.6544 34 E 4.5218 9.1917 118.2903 55.4092 30.9905 177.2927 35 G 3.8905 8.0544 105.7599 45.0196 0.0000 172.7631 36 I 4.1134 7.2984 119.9670 58.9236 38.9875 173.7062 37 P 4.4421 0.0000 0.0000 61.8029 32.3110 175.2988 38 P 4.2435 0.0000 0.0000 66.0410 31.5094 178.2200 39 D 4.3785 8.2648 116.1869 57.3955 40.6849 177.4987 40 Q 4.4191 8.0476 114.5217 55.6894 29.0864 175.2789 41 Q 4.3392 7.8955 119.0227 54.8493 29.8928 174.8699 42 R 4.7186 8.3993 120.8514 54.5455 33.2070 173.9520 43 L 5.1319 8.3785 124.8059 52.9812 43.8278 175.8497 44 I 5.1006 8.8689 117.5453 59.3920 40.9383 174.4256 45 F 4.9416 9.4733 124.8803 58.0058 43.3419 173.8456 46 A 3.4582 9.1610 128.0244 52.9721 15.9659 177.5611 47 G 3.9554 8.7987 104.7293 46.7687 0.0000 174.2147 48 K 4.6307 8.1567 118.2570 54.2547 35.8700 174.8119 49 Q 4.7990 8.5067 123.4999 54.5700 30.0549 175.1485 50 L 3.3366 8.2589 127.6081 54.9195 42.1287 176.5894 51 E 4.6776 9.0277 123.4208 54.6253 31.7602 177.1048 52 D 4.3958 8.9653 122.2815 57.5466 41.1740 178.5616 53 G 3.6848 8.1503 106.8191 48.1916 0.0000 173.7219 54 R 4.4634 7.8461 118.9626 55.3348 31.6083 174.9920 55 T 5.0563 8.0333 108.1923 59.5773 71.5229 175.2207 56 L 3.9125 8.7605 122.7532 58.1981 42.1379 179.7634 57 S 4.0720 8.2337 113.1551 61.6309 62.3933 175.7844 58 D 4.2769 7.7985 118.3192 57.5955 40.5401 177.4791 59 Y 4.4909 7.5078 112.9409 57.0769 37.9180 174.7689 60 N 4.2568 8.3327 117.5117 54.4869 37.9906 174.1270 61 I 3.6470 7.7174 117.3137 60.5568 37.8018 175.6881 62 Q 4.6755 8.4564 123.6579 52.8154 32.1250 174.7990 63 K 3.8646 8.3947 117.5620 59.1168 32.3267 176.8615 64 E 3.7304 9.3806 121.5628 56.3729 27.8836 174.8232 65 S 4.4573 7.9084 115.8091 59.3469 64.2616 173.3580 66 T 5.0886 8.6568 118.8604 62.0496 70.3801 173.7353 67 L 4.8860 9.3428 127.1168 53.7164 44.5788 175.2459 68 H 5.2402 8.9939 119.3096 54.0633 31.4147 173.1179 69 L 5.0221 9.0415 127.2927 54.0298 43.0035 175.7451 70 V 4.8772 8.7604 125.6349 59.9735 34.6671 174.7755 71 L 4.8914 8.4017 119.9122 53.1076 45.4749 176.0881 72 R 4.6578 8.3293 118.6864 54.4948 32.0585 175.9689 73 L 4.7198 8.2008 120.9686 52.7346 44.3319 176.9818 74 R 4.1630 8.4192 120.0989 55.7768 30.6911 175.9808 75 G 3.8889 8.6429 106.6313 45.1432 0.0000 173.8951 76 G 3.7190 8.4001 111.2800 46.4617 0.0000 172.1551 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 M 8.16 4.45 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 2 Q 8.20 4.87 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 3 I 8.95 4.50 1.81 0.00 0.00 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 1.08 1.04 0.77 0.00 0.00 4 F 8.78 5.47 0.00 3.04 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 5 V 9.14 4.78 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 0.95 0.00 0.00 0.92 0.00 0.00 6 K 9.44 5.17 0.00 1.78 1.64 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.41 7.81 7 T 8.60 5.16 4.25 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 1.22 0.00 0.00 8 L 8.72 3.97 0.00 1.66 1.80 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 4.17 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 1.21 0.00 0.00 10 G 8.32 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 0.00 0.00 0.00 11 K 7.93 4.51 0.00 1.87 1.67 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 12 T 8.43 4.98 4.20 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 0.00 0.00 0.00 1.14 0.00 0.00 13 I 9.05 4.49 1.91 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 1.25 0.63 0.93 0.00 0.00 14 T 8.61 4.90 4.30 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 1.23 0.00 0.00 15 L 8.91 4.75 0.00 1.62 1.44 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.93 0.00 1.91 1.81 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 2.19 2.35 0.00 17 V 8.75 4.60 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 0.67 0.00 0.00 0.87 0.00 0.00 18 E 8.61 4.62 0.00 2.10 1.81 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 2.29 2.20 0.00 19 S 8.86 4.23 0.00 3.82 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 20 S 7.83 4.51 0.00 4.00 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 21 D 8.31 4.46 0.00 2.98 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 22 T 8.26 4.58 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 1.22 0.00 0.00 23 I 8.34 3.71 2.01 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 1.73 1.17 0.89 0.00 0.00 24 D 8.13 4.36 0.00 2.68 2.73 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 25 N 8.01 4.24 0.00 2.86 2.95 0.00 0.00 6.93 7.65 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 26 V 7.87 3.55 2.19 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 0.93 0.00 0.00 0.93 0.00 0.00 27 K 8.95 4.24 0.00 2.03 1.84 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.40 7.81 28 S 8.37 4.17 0.00 4.04 4.12 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 29 K 7.95 4.18 0.00 2.04 1.88 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.62 3.73 2.18 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 1.40 1.09 0.91 0.00 0.00 31 Q 8.26 3.78 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 32 D 7.88 4.32 0.00 2.91 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 33 K 7.55 4.15 0.00 1.89 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 E 9.19 4.52 0.00 1.97 1.96 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 2.25 2.44 0.00 35 G 8.05 3.89 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 0.00 0.00 0.00 36 I 7.30 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.22 1.95 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.26 4.38 0.00 2.66 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 40 Q 8.05 4.42 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 41 Q 7.90 4.34 0.00 2.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 R 8.40 4.72 0.00 1.93 1.83 0.00 3.28 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 43 L 8.38 5.13 0.00 1.53 1.53 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 5.10 1.89 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 1.33 0.79 0.92 0.00 0.00 45 F 9.47 4.94 0.00 3.08 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 46 A 9.16 3.46 0.56 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 0.00 0.00 47 G 8.80 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 0.00 0.00 0.00 48 K 8.16 4.63 0.00 2.02 1.82 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 49 Q 8.51 4.80 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 50 L 8.26 3.34 0.00 1.40 1.28 0.74 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.03 4.68 0.00 2.09 1.92 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 2.31 2.55 0.00 52 D 8.97 4.40 0.00 2.68 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 53 G 8.15 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.85 4.46 0.00 2.15 2.05 0.00 3.09 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 55 T 8.03 5.06 4.25 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 1.21 0.00 0.00 56 L 8.76 3.91 0.00 1.92 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.07 0.00 4.03 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 58 D 7.80 4.28 0.00 2.72 2.24 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 59 Y 7.51 4.49 0.00 3.11 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 60 N 8.33 4.26 0.00 2.85 3.03 0.00 0.00 7.13 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 61 I 7.72 3.65 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.15 0.62 0.00 0.00 62 Q 8.46 4.68 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 63 K 8.39 3.86 0.00 1.81 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.38 3.73 0.00 2.20 2.37 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 2.24 2.25 0.00 65 S 7.91 4.46 0.00 3.71 3.60 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 66 T 8.66 5.09 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 67 L 9.34 4.89 0.00 1.54 1.57 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.99 5.24 0.00 3.16 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.04 5.02 0.00 1.73 1.56 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.88 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 0.77 0.00 0.00 0.94 0.00 0.00 71 L 8.40 4.89 0.00 1.60 1.56 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.33 4.66 0.00 1.78 1.83 0.00 3.15 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 73 L 8.20 4.72 0.00 1.58 1.54 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.42 4.16 0.00 1.90 1.94 0.00 3.06 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 75 G 8.64 3.89 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 0.00 0.00 0.00 76 G 8.40 3.72 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 0.00 0.00 0.00