NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3494 8.1744 110.9427 61.4207 70.3387 173.4779 6 N 4.7784 7.9748 119.0770 53.4702 39.3242 173.5782 7 S 4.5237 8.7951 113.1536 57.5152 65.0664 173.4594 8 D 4.7906 8.6047 121.6113 54.9412 41.8068 175.4409 9 F 5.3186 7.9174 114.4587 55.4104 41.6848 173.9119 10 V 4.5404 8.8329 112.1572 59.5311 35.2022 174.8935 11 V 4.8108 8.6355 123.7019 61.3556 33.9774 174.5110 12 I 4.9400 8.9237 128.2078 59.4257 40.8592 174.0017 13 K 5.0372 9.2475 129.0145 54.2742 34.4734 175.0550 14 A 4.4252 8.7603 130.3424 52.2609 19.0767 177.4324 15 L 4.6330 8.9317 122.6780 54.6779 42.4732 175.9963 16 E 4.6678 7.6652 115.6916 54.9305 32.3593 174.3594 17 D 4.4328 8.3686 119.1972 55.4846 41.3998 176.9583 18 G 3.8804 8.3148 109.2608 45.8491 0.0000 174.0511 19 V 3.9069 7.5624 119.6436 62.8746 33.0048 174.4247 20 N 5.3496 9.1286 124.6553 51.5174 41.4117 173.4989 21 V 4.5065 8.7596 125.0850 61.3268 33.5726 174.2921 22 I 4.5148 8.6995 129.9687 59.3053 39.6466 175.0307 23 G 4.0431 8.7446 115.4951 45.3732 0.0000 172.5534 24 L 5.3404 8.8991 126.7460 53.3792 43.7958 176.4736 25 T 4.4495 8.7832 114.3542 61.7716 69.1833 174.1887 26 R 4.2390 7.8725 126.3878 57.0760 30.7836 175.0110 27 G 3.7854 8.8388 109.6126 44.2227 0.0000 172.9436 28 A 4.0600 8.7488 121.4642 54.6361 18.6627 177.8451 29 D 4.8032 7.8310 113.5812 53.3928 42.5692 176.1104 30 T 4.7099 8.2735 121.8120 61.4631 69.6980 172.6680 31 R 4.8198 9.0916 123.2282 53.6584 33.8179 174.3995 32 F 5.1696 8.7939 118.0662 57.9612 38.8434 175.5307 33 H 4.9791 9.2177 118.9382 56.3839 30.6232 174.2224 34 H 4.8389 7.6202 117.6076 54.5546 33.5749 172.0214 35 S 4.7130 8.2177 119.2189 56.4626 64.2733 172.4154 36 E 4.4147 8.9870 129.9368 55.0149 31.0436 174.7903 37 K 4.8690 8.6098 126.5874 55.1962 33.2887 175.7028 38 L 4.9403 8.8702 125.9027 53.1025 44.2848 176.3732 39 D 4.6072 9.2276 123.5292 52.9148 42.8579 175.8985 40 K 4.1206 8.6507 121.9594 58.2839 32.3427 177.1696 41 G 4.0296 9.1575 115.6653 45.1803 0.0000 173.5578 42 E 4.1797 7.9884 119.9575 56.3922 30.7165 176.0160 43 V 4.8938 8.3325 122.8392 61.0068 33.9844 174.1693 44 L 4.7042 9.2240 130.0255 53.2922 44.5461 174.7723 45 I 4.9727 8.4510 126.7089 59.6106 39.0658 174.8506 46 A 4.6636 8.8980 129.0349 50.0972 21.9879 175.4021 47 Q 4.7489 8.7036 121.3279 55.3801 30.0787 176.0018 48 F 4.7117 8.4643 120.7395 57.9837 38.9300 175.0881 49 T 4.7119 8.9603 111.3756 59.9876 71.9853 173.9212 50 E 4.1559 8.9374 121.1781 59.4085 29.6409 177.3264 51 H 4.5614 7.7988 114.7712 56.3202 29.8524 174.3566 52 T 5.3399 7.9943 116.1790 61.8898 71.2151 174.4399 53 S 5.0186 9.0202 119.7941 58.0012 64.8971 173.4482 54 A 5.0707 7.9596 121.6207 51.0111 22.6585 175.0862 55 I 4.9477 8.5833 120.9629 59.3448 40.5039 174.7192 56 K 4.5773 8.9462 128.3971 54.5347 34.5690 174.7108 57 V 4.8489 8.3899 126.5778 61.1509 33.7441 174.5442 58 R 4.5579 9.1703 126.8307 55.6043 32.9866 176.3999 59 G 4.1737 8.9899 108.7625 44.2096 0.0000 172.4835 60 K 4.5876 9.5979 120.6010 55.6585 33.0396 175.6197 61 A 5.1203 8.5872 126.7950 50.9151 23.4872 173.7237 62 Y 5.0055 9.1852 121.9580 56.0392 41.0762 174.5344 63 I 4.9274 8.4735 127.3931 59.4915 40.6820 174.3655 64 Q 5.0240 8.8674 125.8060 54.3211 31.9015 174.8869 65 T 4.8114 8.5726 112.6819 59.5659 72.4874 174.4936 66 R 3.7299 8.5693 120.6558 59.6168 29.8222 176.4943 67 H 4.6763 8.0939 112.3662 55.1938 29.2467 173.8716 68 G 3.7359 6.9507 106.1817 44.0674 0.0000 173.2770 69 V 4.7181 7.8001 112.0137 60.0673 34.4904 175.1725 70 I 4.3973 8.0205 120.6702 60.3027 41.9578 172.7065 71 E 5.3250 8.6321 125.9748 54.4469 31.7207 176.2413 72 S 4.5358 8.8247 119.3281 58.2241 64.8304 172.9437 73 E 4.8042 8.6259 119.7702 54.4918 33.0139 176.3122 74 G 3.7322 8.6248 110.2731 45.8544 0.0000 173.6466 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 5 T 8.17 4.35 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 6 N 7.97 4.78 0.00 2.79 2.85 0.00 0.00 7.19 6.75 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 7 S 8.80 4.52 0.00 4.09 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 8 D 8.60 4.79 0.00 2.79 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 9 F 7.92 5.32 0.00 2.96 2.96 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 10 V 8.83 4.54 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.82 0.00 0.00 11 V 8.64 4.81 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 1.13 0.00 0.00 1.15 0.00 0.00 12 I 8.92 4.94 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 1.08 0.55 0.91 0.00 0.00 13 K 9.25 5.04 0.00 1.89 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.76 4.43 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 15 L 8.93 4.63 0.00 1.63 1.72 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.67 0.00 2.03 1.89 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 2.35 2.33 0.00 17 D 8.37 4.43 0.00 2.69 2.64 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 0.00 18 G 8.31 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 19 V 7.56 3.91 2.08 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 0.98 0.00 0.00 1.03 0.00 0.00 20 N 9.13 5.35 0.00 2.64 2.60 0.00 0.00 6.37 8.28 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 21 V 8.76 4.51 2.03 0.00 0.00 0.00 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 0.90 0.00 0.00 22 I 8.70 4.51 1.55 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.37 -0.47 0.00 0.00 23 G 8.74 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.90 5.34 0.00 1.89 1.69 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.78 4.45 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 1.38 0.00 0.00 26 R 7.87 4.24 0.00 1.89 1.95 0.00 3.19 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 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 28 A 8.75 4.06 1.30 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 0.00 0.00 0.00 29 D 7.83 4.80 0.00 2.66 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 30 T 8.27 4.71 4.28 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 1.28 0.00 0.00 31 R 9.09 4.82 0.00 1.83 2.03 0.00 2.79 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.79 5.17 0.00 2.84 2.96 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 33 H 9.22 4.98 0.00 3.15 3.50 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.84 0.00 3.20 3.00 0.00 5.80 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 35 S 8.22 4.71 0.00 3.75 3.61 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 36 E 8.99 4.41 0.00 2.17 1.78 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 2.26 2.32 0.00 37 K 8.61 4.87 0.00 1.64 1.72 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.50 7.81 38 L 8.87 4.94 0.00 1.54 1.55 0.92 0.82 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 39 D 9.23 4.61 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.65 4.12 0.00 1.86 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 41 G 9.16 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 4.18 0.00 2.09 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 2.33 2.34 0.00 43 V 8.33 4.89 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.22 4.70 0.00 1.71 1.46 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.97 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.66 0.00 0.00 46 A 8.90 4.66 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.70 4.75 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.46 4.71 0.00 3.02 2.97 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 0.00 0.00 0.00 49 T 8.96 4.71 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 1.31 0.00 0.00 50 E 8.94 4.16 0.00 1.92 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 2.03 2.27 0.00 51 H 7.80 4.56 0.00 3.39 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.99 5.34 4.36 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 1.36 0.00 0.00 53 S 9.02 5.02 0.00 3.81 4.08 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 54 A 7.96 5.07 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 55 I 8.58 4.95 1.84 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.88 0.00 0.00 56 K 8.95 4.58 0.00 1.81 1.54 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.35 7.81 57 V 8.39 4.85 2.06 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 0.91 0.00 0.00 0.90 0.00 0.00 58 R 9.17 4.56 0.00 1.75 1.78 0.00 3.17 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 59 G 8.99 4.17 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 0.00 60 K 9.60 4.59 0.00 1.83 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.59 5.12 1.26 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 0.00 0.00 0.00 62 Y 9.19 5.01 0.00 3.02 2.84 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 63 I 8.47 4.93 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.82 0.00 0.00 64 Q 8.87 5.02 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 65 T 8.57 4.81 4.13 0.00 0.00 0.00 0.00 0.00 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 66 R 8.57 3.73 0.00 1.58 1.70 0.00 3.30 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.09 4.68 0.00 3.18 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.95 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 0.00 0.00 0.00 69 V 7.80 4.72 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 0.68 0.00 0.00 0.98 0.00 0.00 70 I 8.02 4.40 1.83 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 1.21 0.85 0.85 0.00 0.00 71 E 8.63 5.33 0.00 1.91 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 2.42 2.45 0.00 72 S 8.82 4.54 0.00 3.96 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 73 E 8.63 4.80 0.00 1.83 1.86 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 2.21 2.29 0.00 74 G 8.62 3.73 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 0.00 0.00 0.00