NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4426 8.3044 118.1868 55.0821 32.8083 174.1759 2 L 4.4396 7.9721 122.7838 53.3511 46.2071 172.1406 3 D 5.3155 9.6363 124.9636 52.8038 44.2780 174.2342 4 C 5.1449 8.6259 118.7810 55.3508 45.6394 172.9447 5 H 4.8630 9.3611 118.5198 55.4940 28.6803 175.8123 6 V 4.3810 8.4573 125.9595 62.1432 32.4916 172.0730 7 C 5.0570 8.8116 121.9480 55.5304 45.6282 172.3433 8 A 5.2332 8.5111 119.4922 51.1080 21.6019 175.0977 9 Y 4.8074 8.8123 121.7556 55.7679 42.8933 174.7380 10 N 4.5979 6.3257 122.2931 49.9321 38.2916 174.2245 11 G 3.7710 6.5918 115.8344 45.3290 0.0000 172.0724 12 D 4.4291 8.5328 123.2311 54.7928 41.3388 175.5332 13 N 4.5162 7.6149 113.8057 52.3234 40.0185 173.9151 14 C 4.6696 8.8290 118.1452 54.8213 42.9290 172.7464 15 F 4.5799 8.3380 117.8710 56.0549 41.4476 175.3899 16 N 5.0400 8.4387 122.9557 52.1241 40.6504 169.3195 17 P 4.6866 0.0000 0.0000 62.4170 32.5157 175.8515 18 M 4.7728 9.2865 124.6560 53.2867 35.8984 174.0835 19 R 4.4019 8.6010 126.4830 56.5404 30.8728 176.8092 20 C 4.7236 8.6586 124.0438 55.8362 39.8007 171.7464 21 P 4.3923 0.0000 0.0000 62.3001 32.4066 176.2204 22 A 4.5928 8.1699 120.8218 51.1306 17.2846 176.4102 23 M 4.8374 7.4564 118.1683 56.2655 38.4372 176.2155 24 V 4.0074 7.2111 117.0269 62.3035 32.3608 175.6730 25 A 4.6268 8.2091 127.0891 51.4059 19.7655 175.3286 26 Y 4.8812 7.6991 114.3210 58.8684 43.2658 173.1736 27 C 5.1710 9.5804 120.2190 55.5920 38.3900 172.5025 28 M 5.2237 8.7437 122.5933 54.2121 35.3271 174.9253 29 T 4.6793 8.7492 121.5112 62.8981 73.1579 173.2052 30 T 4.7940 9.3905 125.9356 61.9328 70.2946 174.4337 31 R 4.5418 8.5699 125.0418 55.2463 30.7209 176.1697 32 T 4.9585 8.8594 121.8532 62.9273 71.0741 174.2531 33 Y 4.3499 8.5568 120.3225 57.2376 40.3844 175.2116 34 Y 4.1199 9.1353 122.6229 59.4220 39.1942 176.0423 35 T 4.8060 8.0806 108.5420 58.8568 71.8263 172.9914 36 P 4.6287 0.0000 0.0000 64.3663 31.3930 176.7179 37 T 4.5827 7.8753 107.7174 61.4584 70.2793 174.1400 38 R 4.7579 7.8811 121.5609 55.0323 34.4986 173.9770 39 M 4.9985 8.4101 119.2826 53.5017 35.6145 173.7869 40 K 4.9240 8.5305 116.6656 54.7258 36.9817 176.2119 41 V 5.1169 8.8981 122.3903 60.3031 35.5792 174.4128 42 S 5.1139 8.7687 116.0063 57.1452 66.5978 173.0206 43 K 5.2261 9.2693 123.1085 55.0263 36.6989 175.4383 44 S 4.7376 8.5595 116.5333 58.3708 67.0431 172.6517 45 C 5.1766 8.7140 117.4318 55.7222 39.4749 174.1809 46 V 4.7035 8.4925 116.5897 58.9205 35.4576 175.2654 47 P 4.3249 0.0000 0.0000 65.2845 31.5582 177.2017 48 R 4.2222 7.5947 116.4369 53.7119 33.2338 174.8391 49 C 4.5515 8.0897 121.9209 54.4643 46.1498 172.8865 50 F 5.1147 8.0829 124.8679 55.7822 40.8489 174.8076 51 E 4.5654 8.6547 123.2118 56.0426 30.2508 176.4347 52 T 4.0916 7.9179 115.1439 60.9669 69.2056 174.3927 53 V 4.3360 7.7978 119.9536 59.6883 33.8593 175.7010 54 Y 5.0002 8.1701 122.1022 57.2436 41.3626 175.5312 55 D 4.6452 8.1444 121.4869 51.3471 39.9777 173.5448 56 G 3.9795 7.1489 120.8750 46.6016 0.0000 171.5586 57 Y 4.3536 7.9601 116.1506 58.1961 41.3936 176.5040 58 S 4.2828 7.9604 114.2448 57.3271 63.6706 173.5635 59 K 4.0818 7.9612 121.6511 57.2128 32.6762 176.7381 60 H 5.0171 8.6272 119.1619 55.5386 29.1842 174.3501 61 A 4.5287 7.8541 119.7801 52.9080 19.6191 177.5253 62 S 5.3558 7.9377 112.4585 58.1253 67.4262 174.0576 63 T 4.5227 8.6788 113.1068 60.7652 70.2689 172.6575 64 T 4.9640 9.1177 124.7020 62.3797 70.3144 174.2964 65 S 5.3732 9.3389 122.6464 57.1428 65.9812 172.6317 66 C 6.0663 8.9934 118.8558 54.7250 40.3123 170.7977 67 C 4.9739 8.6018 115.1453 54.8389 44.8982 173.6412 68 Q 4.3714 8.6765 116.5714 55.6003 29.7984 173.7404 69 Y 4.7196 7.7252 117.4312 55.7252 40.2509 174.4506 70 D 4.4784 8.0287 125.4932 55.9867 41.5323 176.2920 71 L 3.6328 8.7871 123.5598 55.5285 40.0380 174.6745 72 C 4.6396 7.9831 115.1763 58.0923 41.8034 173.6281 73 N 4.8113 8.0518 116.3774 52.5965 37.4317 175.0746 74 G 3.4041 7.8068 113.4582 46.4892 0.0000 174.2966 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 8.30 4.44 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 2 L 7.97 4.44 0.00 1.72 1.39 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.64 5.32 0.00 2.59 2.43 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 0.00 0.00 0.00 0.00 4 C 8.63 5.14 0.00 2.79 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 H 9.36 4.86 0.00 3.06 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.46 4.38 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 0.87 0.00 0.00 0.92 0.00 0.00 7 C 8.81 5.06 0.00 3.02 3.17 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 8 A 8.51 5.23 1.23 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 9 Y 8.81 4.81 0.00 3.04 2.79 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 10 N 6.33 4.60 0.00 2.27 2.46 0.00 0.00 6.85 7.53 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 11 G 6.59 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 0.00 0.00 0.00 12 D 8.53 4.43 0.00 2.80 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 13 N 7.61 4.52 0.00 2.65 2.75 0.00 0.00 6.33 7.89 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 14 C 8.83 4.67 0.00 3.13 3.23 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 15 F 8.34 4.58 0.00 2.90 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 16 N 8.44 5.04 0.00 2.77 2.81 0.00 0.00 6.96 7.72 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 17 P 0.00 4.69 0.00 2.03 1.88 0.00 3.83 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 1.99 2.00 0.00 18 M 9.29 4.77 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 19 R 8.60 4.40 0.00 1.92 1.79 0.00 3.33 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 20 C 8.66 4.72 0.00 2.89 2.98 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 21 P 0.00 4.39 0.00 2.21 2.20 0.00 3.68 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 2.06 1.95 0.00 22 A 8.17 4.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.46 4.84 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 24 V 7.21 4.01 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 0.77 0.00 0.00 0.97 0.00 0.00 25 A 8.21 4.63 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 26 Y 7.70 4.88 0.00 3.17 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 27 C 9.58 5.17 0.00 2.84 2.98 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 28 M 8.74 5.22 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 29 T 8.75 4.68 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 30 T 9.39 4.79 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 1.26 0.00 0.00 31 R 8.57 4.54 0.00 2.11 2.20 0.00 2.81 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 32 T 8.86 4.96 4.40 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 1.15 0.00 0.00 33 Y 8.56 4.35 0.00 2.92 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 34 Y 9.14 4.12 0.00 2.87 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 35 T 8.08 4.81 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 1.27 0.00 0.00 36 P 0.00 4.63 0.00 2.24 2.26 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 37 T 7.88 4.58 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 1.22 0.00 0.00 38 R 7.88 4.76 0.00 1.73 1.70 0.00 2.95 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 39 M 8.41 5.00 0.00 1.18 1.53 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 40 K 8.53 4.92 0.00 1.78 1.68 0.00 1.56 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.21 1.34 7.81 41 V 8.90 5.12 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 0.91 0.00 0.00 0.96 0.00 0.00 42 S 8.77 5.11 0.00 3.93 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 43 K 9.27 5.23 0.00 1.67 1.76 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.34 7.81 44 S 8.56 4.74 0.00 3.87 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 45 C 8.71 5.18 0.00 2.86 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 46 V 8.49 4.70 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 0.81 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.32 0.00 2.18 2.19 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 48 R 7.59 4.22 0.00 1.50 1.28 0.00 3.18 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 49 C 8.09 4.55 0.00 2.72 2.72 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 50 F 8.08 5.11 0.00 3.06 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 51 E 8.65 4.57 0.00 1.85 1.87 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 2.30 2.25 0.00 52 T 7.92 4.09 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 1.18 0.00 0.00 53 V 7.80 4.34 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 0.75 0.00 0.00 0.81 0.00 0.00 54 Y 8.17 5.00 0.00 2.96 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 55 D 8.14 4.65 0.00 2.68 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 56 G 7.15 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 57 Y 7.96 4.35 0.00 2.86 2.94 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 58 S 7.96 4.28 0.00 3.17 3.28 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 0.00 59 K 7.96 4.08 0.00 1.73 1.68 0.00 1.43 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.07 1.29 7.81 60 H 8.63 5.02 0.00 3.39 3.50 0.00 5.52 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 61 A 7.85 4.53 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 62 S 7.94 5.36 0.00 3.83 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 63 T 8.68 4.52 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 64 T 9.12 4.96 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 65 S 9.34 5.37 0.00 3.72 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 66 C 8.99 6.07 0.00 2.79 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 67 C 8.60 4.97 0.00 3.08 3.24 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 68 Q 8.68 4.37 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 69 Y 7.73 4.72 0.00 3.02 2.83 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 70 D 8.03 4.48 0.00 2.18 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 0.00 0.00 0.00 0.00 71 L 8.79 3.63 0.00 1.62 1.72 0.91 0.43 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 72 C 7.98 4.64 0.00 3.29 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.81 0.00 2.81 2.94 0.00 0.00 5.97 7.18 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 74 G 7.81 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 0.00 0.00 0.00