NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4292 8.1627 120.6053 55.4850 34.0236 173.6229 2 Q 4.9668 8.4702 126.8139 52.4007 32.4019 172.4074 3 I 4.6169 9.1552 119.2512 59.0803 42.0869 173.4375 4 F 5.4349 8.6989 121.0292 55.8752 42.0503 175.1955 5 V 4.7697 9.0313 121.7998 61.1851 34.3721 173.9989 6 K 5.0320 9.1497 130.6337 55.3242 34.1629 175.7040 7 T 5.0702 8.4322 117.2849 59.5548 71.3138 175.5128 8 L 4.0428 8.6356 121.9367 58.5749 40.3405 178.1558 9 T 4.0655 7.6210 107.6726 62.2232 69.0991 175.6361 10 G 3.9388 8.2499 111.3205 44.8012 0.0000 173.7168 11 K 4.2616 7.5994 121.0143 56.5142 33.5464 175.6354 12 T 5.2967 8.4574 122.4116 61.6885 71.3941 173.2681 13 I 4.7132 8.9523 119.3314 59.4283 41.1383 174.2578 14 T 5.1530 8.5050 119.4687 61.9457 70.7040 173.7778 15 L 4.8429 8.6765 125.1329 52.9265 45.6296 175.1728 16 E 4.9073 8.6554 121.5909 55.3841 30.7111 175.7425 17 V 4.7118 8.9444 117.1937 59.9397 36.5240 174.1390 18 E 4.7420 9.3917 120.0323 53.9493 33.1925 175.9303 19 P 4.1511 0.0000 0.0000 65.6324 31.5495 178.1852 20 S 4.6568 7.8135 111.1586 58.1021 63.2256 173.7544 21 D 4.4178 8.0484 123.1179 54.4185 41.2219 176.5845 22 T 4.6024 8.4352 114.4520 61.3954 71.0293 175.5946 23 I 3.7141 8.5139 123.2826 64.3553 37.0746 178.1148 24 E 3.9146 8.4617 120.5990 59.6974 29.3546 178.7616 25 N 4.3107 8.0501 116.0392 56.4255 38.6443 177.5696 26 V 3.5778 7.7199 119.2590 65.9527 31.5651 178.2031 27 K 4.3175 8.6360 119.6036 58.8943 31.8641 179.1637 28 A 4.0251 8.0996 121.0653 55.1503 18.3037 179.8813 29 K 3.9665 8.2777 117.0591 59.5696 32.0779 179.7390 30 I 3.7654 7.8465 120.3005 64.2350 36.9186 178.1253 31 Q 4.2935 8.4052 122.2591 58.7525 28.6231 178.1978 32 D 4.3386 8.0152 118.8991 57.2704 40.9351 178.6816 33 K 4.1560 7.9707 117.7825 58.8315 32.3594 177.9172 34 E 4.4249 8.5624 115.5847 55.3385 30.9553 176.8937 35 G 3.8521 8.3031 106.8484 46.0878 0.0000 173.0852 36 I 4.2901 7.4470 120.6922 58.5244 38.5175 173.8025 37 P 4.4033 0.0000 0.0000 61.8974 32.0547 175.6944 38 P 4.3072 0.0000 0.0000 65.6507 31.4047 178.1150 39 D 4.4943 7.9962 115.6602 55.1730 39.8188 176.7926 40 Q 4.2756 8.1937 118.6895 56.6325 29.4228 174.7849 41 Q 4.9045 8.0080 118.5762 54.3088 31.0981 174.7740 42 R 4.7202 9.1565 122.4947 54.3349 33.4689 174.5528 43 L 5.2455 8.5066 122.8462 53.0412 44.7802 175.3383 44 I 5.0202 8.6791 123.2200 59.4841 41.1279 174.2831 45 F 5.0052 9.0103 128.1475 56.7473 42.7347 174.4925 46 A 3.4284 8.9739 128.2761 53.2477 15.7284 178.0686 47 G 3.8609 8.3766 105.7994 46.8376 0.0000 174.0165 48 K 4.4986 7.7549 121.1172 54.0476 34.4500 174.5267 49 Q 4.6737 8.5453 127.3871 55.8312 29.5812 175.1348 50 L 4.2313 8.6495 127.2511 54.2492 43.0602 175.9822 51 E 4.7274 9.1643 121.8985 54.5540 31.6355 177.0273 52 D 4.3934 9.1148 123.5569 57.2768 41.0642 178.3985 53 G 3.8721 7.9953 104.7515 45.7312 0.0000 173.5708 54 R 4.4645 7.9041 120.0089 55.0552 31.8235 175.5446 55 T 5.0651 8.2707 109.8139 59.7586 71.2742 175.9304 56 L 4.0539 8.4185 121.7357 57.9245 42.0056 180.0742 57 S 4.1109 8.3461 113.4291 61.2330 62.6077 175.6381 58 D 4.2518 8.0940 119.5873 57.4656 40.5079 176.9915 59 Y 4.6255 7.6551 113.5900 57.1313 37.9654 174.7316 60 N 4.1624 7.9833 117.2120 54.4616 37.9836 174.0806 61 I 3.5783 7.7312 117.5377 60.2633 37.7141 175.9391 62 Q 4.5701 8.4687 124.4272 53.0336 31.3520 174.8900 63 K 3.9872 8.3258 119.6872 58.5601 32.2265 176.2595 64 E 3.6226 9.1650 123.9184 56.7529 27.8892 174.8539 65 S 4.5833 7.9630 115.7476 58.9734 64.2761 173.1618 66 T 5.2488 8.7333 118.6451 62.0604 70.5884 173.7921 67 L 5.0189 9.0409 126.5100 53.7098 44.7646 174.9864 68 H 5.2333 9.0377 118.6142 54.0413 31.4328 173.1589 69 L 4.9669 8.9892 126.0412 53.5960 43.3275 175.4862 70 V 4.4307 8.8103 127.1354 61.1126 33.8951 174.1729 71 L 5.0052 8.4196 127.6558 53.3274 42.9885 176.7510 72 R 3.9556 8.8762 123.7027 56.1182 30.8415 175.9738 73 L 3.7565 8.8431 123.5028 54.7062 41.6629 176.7472 74 R 4.0077 8.5099 124.5766 58.0166 30.0903 176.7352 75 G 3.8241 8.9137 113.6783 44.3762 0.0000 173.1872 76 G 4.2301 8.6351 114.6719 45.9975 0.0000 173.7438 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 4.43 0.00 2.31 1.97 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 2.50 2.47 0.00 2 Q 8.47 4.97 0.00 2.07 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 3 I 9.16 4.62 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.77 0.00 0.00 4 F 8.70 5.43 0.00 3.09 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 5 V 9.03 4.77 2.11 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 1.03 0.00 0.00 0.94 0.00 0.00 6 K 9.15 5.03 0.00 1.76 1.54 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.52 7.81 7 T 8.43 5.07 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 8.64 4.04 0.00 1.78 1.87 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.62 4.07 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 8.25 3.94 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 0.00 0.00 0.00 11 K 7.60 4.26 0.00 1.89 1.68 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.46 5.30 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 1.20 0.00 0.00 13 I 8.95 4.71 1.90 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 1.32 1.00 0.00 0.00 14 T 8.51 5.15 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 1.15 0.00 0.00 15 L 8.68 4.84 0.00 1.50 1.48 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.91 0.00 1.81 1.85 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 2.21 2.24 0.00 17 V 8.94 4.71 2.12 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 0.63 0.00 0.00 0.85 0.00 0.00 18 E 9.39 4.74 0.00 1.82 1.76 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 2.18 2.23 0.00 19 P 0.00 4.15 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.81 4.66 0.00 3.84 3.86 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 21 D 8.05 4.42 0.00 2.88 2.59 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 22 T 8.44 4.60 4.45 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 1.21 0.00 0.00 23 I 8.51 3.71 1.93 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 1.80 1.13 0.93 0.00 0.00 24 E 8.46 3.91 0.00 2.22 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 2.32 2.39 0.00 25 N 8.05 4.31 0.00 3.03 2.85 0.00 0.00 6.74 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 26 V 7.72 3.58 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 1.01 0.00 0.00 0.97 0.00 0.00 27 K 8.64 4.32 0.00 1.99 1.85 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.49 7.81 28 A 8.10 4.03 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 29 K 8.28 3.97 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.66 7.81 30 I 7.85 3.77 2.12 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 0.62 0.92 0.00 0.00 31 Q 8.41 4.29 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 32 D 8.02 4.34 0.00 2.92 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 7.97 4.16 0.00 1.75 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.59 7.81 34 E 8.56 4.42 0.00 1.99 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 0.00 2.25 2.37 0.00 35 G 8.30 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 0.00 0.00 0.00 36 I 7.45 4.29 1.87 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.33 1.97 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.31 0.00 2.18 2.11 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.00 4.49 0.00 2.77 2.80 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 40 Q 8.19 4.28 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 8.01 4.90 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 9.16 4.72 0.00 1.75 1.79 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.51 5.25 0.00 1.55 1.52 0.91 0.80 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 44 I 8.68 5.02 1.91 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 1.13 1.03 0.92 0.00 0.00 45 F 9.01 5.01 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 46 A 8.97 3.43 0.82 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 47 G 8.38 3.86 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 0.00 0.00 0.00 48 K 7.75 4.50 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 49 Q 8.55 4.67 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.65 4.23 0.00 1.45 1.33 0.75 0.19 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 51 E 9.16 4.73 0.00 2.05 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 2.29 2.36 0.00 52 D 9.11 4.39 0.00 2.76 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 53 G 8.00 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 0.00 0.00 0.00 54 R 7.90 4.46 0.00 2.07 1.62 0.00 3.05 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 55 T 8.27 5.07 4.44 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 0.00 0.00 0.00 1.19 0.00 0.00 56 L 8.42 4.05 0.00 1.90 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.35 4.11 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 58 D 8.09 4.25 0.00 2.51 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 0.00 0.00 0.00 0.00 59 Y 7.66 4.63 0.00 3.00 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 60 N 7.98 4.16 0.00 2.90 3.02 0.00 0.00 7.12 7.56 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 61 I 7.73 3.58 1.78 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 -0.30 0.09 0.58 0.00 0.00 62 Q 8.47 4.57 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 63 K 8.33 3.99 0.00 1.65 1.70 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 E 9.17 3.62 0.00 2.17 2.26 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 2.20 2.17 0.00 65 S 7.96 4.58 0.00 3.75 3.74 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 66 T 8.73 5.25 4.37 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 1.19 0.00 0.00 67 L 9.04 5.02 0.00 1.59 1.60 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.04 5.23 0.00 3.09 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.99 4.97 0.00 1.58 1.69 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.81 4.43 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 0.88 0.00 0.00 0.94 0.00 0.00 71 L 8.42 5.01 0.00 1.55 1.58 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.88 3.96 0.00 1.82 1.89 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 73 L 8.84 3.76 0.00 1.74 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.51 4.01 0.00 1.77 1.86 0.00 3.26 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 75 G 8.91 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 76 G 8.64 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00