NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.4097 8.2931 120.3243 56.7423 33.8986 174.2947 21 G 3.9835 7.9775 100.3368 45.1794 0.0000 171.3977 22 N 4.8451 8.6704 116.5076 52.0957 42.2544 173.4940 23 Q 4.8233 8.2191 118.0684 54.3775 32.5194 174.3482 24 Q 4.6579 8.4073 118.3039 54.5906 33.1746 174.3438 25 C 5.3481 8.8165 118.0138 54.0239 40.0169 171.7358 26 N 4.8246 9.7322 121.2328 53.8231 38.1746 171.7610 27 W 4.4743 9.8592 134.1639 56.6384 31.3837 174.9935 28 Y 4.3871 7.6808 124.5983 58.5032 35.3320 172.5090 29 G 3.8327 8.7323 115.1467 46.5860 0.0000 175.4962 30 T 4.3693 8.8575 118.0348 62.6835 69.6090 172.8277 31 L 5.2750 7.9437 120.8812 53.6620 44.8895 176.1913 32 Y 4.8342 8.4734 120.0163 55.2440 42.6308 172.9919 33 P 4.6144 0.0000 0.0000 62.5214 33.0230 174.9821 34 L 4.3009 7.8580 124.4009 55.1677 42.8632 176.4846 35 C 4.4357 8.9451 128.1031 54.9323 43.1388 173.8546 36 V 3.5048 8.0246 123.7975 65.6965 31.7954 178.4219 37 T 3.8530 7.8832 115.0790 66.6784 68.4968 174.9568 38 T 4.4568 7.5970 116.4237 63.7414 68.4972 176.2241 39 T 3.8805 7.7230 117.4994 64.1730 67.3038 173.3028 40 N 4.7150 7.8372 118.8425 54.4603 39.5177 173.4495 41 G 3.8804 7.9134 104.0946 43.5952 0.0000 173.4671 42 W 4.1423 8.8347 120.1729 56.7199 30.3781 176.0638 43 G 4.4184 8.8942 109.1097 43.9494 0.0000 170.6235 44 W 5.8237 8.6593 128.7049 55.8961 33.3280 174.0065 45 E 4.2639 8.0100 126.4538 55.6941 32.5031 173.8651 46 D 4.2143 8.7116 117.1510 55.3186 37.8492 174.2659 47 Q 3.5405 8.1477 115.5824 56.7374 27.8441 172.8265 48 R 4.0518 6.1709 114.6473 54.4617 33.6898 172.8049 49 S 6.3000 9.1756 113.5259 58.5628 64.6875 172.4518 50 C 5.0394 8.9855 119.1399 53.6974 39.9213 172.7078 51 I 3.5276 7.9208 123.1072 59.0665 38.7078 175.3738 52 A 4.1227 7.3856 128.0834 51.5625 19.4886 177.4373 53 R 3.8815 8.7961 117.8540 59.1476 29.7321 179.6210 54 S 4.1859 8.1549 114.6174 62.5555 63.5205 176.7183 55 T 4.0763 8.0639 117.9423 67.1939 68.4764 175.5335 56 C 4.1633 8.3713 120.9042 57.3209 38.7854 174.9335 57 A 4.3895 8.7780 120.8408 55.0605 19.4445 179.9751 58 A 3.8788 7.6721 118.2540 55.1733 19.1710 177.9059 59 Q 4.1330 7.7140 114.1107 55.2327 29.7054 175.1758 60 P 4.5288 0.0000 0.0000 62.0563 32.4707 175.4862 61 A 4.4616 8.0996 120.7094 50.3971 18.9465 175.5352 62 P 4.3271 0.0000 0.0000 62.9646 31.3717 176.6663 63 F 5.6750 5.4600 118.1900 57.1913 39.7305 175.6859 64 G 4.4989 8.3255 107.5937 45.3893 0.0000 171.7861 65 I 4.8160 7.9195 121.4874 60.7507 37.1343 175.8300 66 V 4.2297 8.1099 124.5920 60.6932 34.4905 173.8594 67 G 4.1612 8.1915 108.4669 46.9164 0.0000 175.8552 68 S 4.5258 7.5815 112.8193 56.3202 62.7159 173.7587 69 G 3.7488 8.2480 113.2069 45.2425 0.0000 171.2316 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 20 M 8.29 4.41 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 21 G 7.98 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.67 4.85 0.00 2.67 2.71 0.00 0.00 6.98 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 23 Q 8.22 4.82 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 24 Q 8.41 4.66 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 25 C 8.82 5.35 0.00 2.90 2.91 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 26 N 9.73 4.82 0.00 2.80 2.92 0.00 0.00 6.88 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 W 9.86 4.47 0.00 3.91 3.40 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 0.00 0.00 0.00 0.00 28 Y 7.68 4.39 0.00 2.96 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 29 G 8.73 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.86 4.37 4.64 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 1.17 0.00 0.00 31 L 7.94 5.28 0.00 1.40 1.45 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.47 4.83 0.00 2.61 2.51 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 33 P 0.00 4.61 0.00 1.99 2.07 0.00 4.04 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 2.02 1.84 0.00 34 L 7.86 4.30 0.00 1.63 1.74 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.95 4.44 0.00 2.88 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 36 V 8.02 3.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.89 0.00 0.00 37 T 7.88 3.85 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 1.20 0.00 0.00 38 T 7.60 4.46 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 1.31 0.00 0.00 39 T 7.72 3.88 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 1.20 0.00 0.00 40 N 7.84 4.72 0.00 2.77 2.80 0.00 0.00 7.26 7.37 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 41 G 7.91 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 0.00 0.00 0.00 42 W 8.83 4.14 0.00 3.12 3.21 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 0.00 43 G 8.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.66 5.82 0.00 3.35 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 45 E 8.01 4.26 0.00 1.81 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 46 D 8.71 4.21 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 3.54 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 48 R 6.17 4.05 0.00 1.43 1.76 0.00 3.11 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 49 S 9.18 6.30 0.00 4.36 4.51 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 50 C 8.99 5.04 0.00 2.88 3.02 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 51 I 7.92 3.53 0.97 0.00 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.08 0.00 0.00 52 A 7.39 4.12 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 53 R 8.80 3.88 0.00 1.85 1.79 0.00 3.45 0.00 0.00 3.19 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 54 S 8.15 4.19 0.00 4.09 4.15 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 55 T 8.06 4.08 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 1.28 0.00 0.00 56 C 8.37 4.16 0.00 3.22 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.78 4.39 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.13 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 5.11 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 60 P 0.00 4.53 0.00 2.26 2.29 0.00 4.00 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.17 0.00 61 A 8.10 4.46 1.07 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 62 P 0.00 4.33 0.00 2.11 2.02 0.00 2.73 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 63 F 5.46 5.67 0.00 3.10 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 0.00 65 I 7.92 4.82 1.88 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 1.28 0.87 0.93 0.00 0.00 66 V 8.11 4.23 2.28 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 0.98 0.00 0.00 0.99 0.00 0.00 67 G 8.19 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.53 0.00 3.80 3.76 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 69 G 8.25 3.75 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 0.00 0.00 0.00