NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2225 8.3349 116.7627 57.2170 63.1935 171.2131 2 P 3.7541 0.0000 0.0000 62.1933 31.6000 174.5989 3 Y 4.6180 9.0157 123.4908 57.3649 38.0025 173.6030 4 S 4.6930 7.6981 119.9742 58.2431 66.4359 175.1076 5 S 4.7414 7.6751 121.2931 55.9691 63.4289 173.8132 6 D 4.3692 7.6974 128.3562 53.8131 41.1236 175.2385 7 T 4.1824 8.3420 114.2291 62.5494 68.3653 175.2853 8 T 4.1979 7.8558 119.9269 61.4572 70.9946 172.0719 9 P 4.2766 0.0000 0.0000 63.3954 32.0084 176.0706 10 C 5.1448 8.4664 121.0740 55.4124 44.6788 173.5777 11 C 5.0936 8.7183 118.2072 55.1625 45.4476 171.3493 12 F 4.2829 8.1922 121.6026 57.8235 41.2921 174.7594 13 A 4.1618 7.6970 124.6670 50.2525 21.5025 175.5750 14 Y 4.6846 7.3027 117.8283 56.3703 39.4438 175.8170 15 I 3.8120 8.1829 123.7319 61.4852 39.0807 176.9088 16 A 4.5181 8.3906 132.5609 49.0257 17.3586 177.0800 17 R 4.4141 7.3781 121.7868 54.5890 33.1809 171.3922 18 P 2.0000 0.0000 0.0000 61.2414 30.2494 175.5708 19 L 3.7544 7.5469 123.1783 53.9616 42.0254 175.9793 20 P 3.6783 0.0000 0.0000 62.4614 31.4248 177.2733 21 R 3.5355 7.5834 122.9979 59.1767 29.4119 178.3337 22 A 3.9860 7.4683 119.4140 55.5158 18.9634 178.8540 23 H 4.4036 8.1018 113.9735 57.1269 28.7487 176.0099 24 I 4.5090 6.3935 119.8553 60.5804 38.0285 175.1486 25 K 4.6194 8.1210 122.0604 57.5104 34.6416 175.3741 26 E 5.1434 7.8990 115.6230 57.5201 33.2431 173.7816 27 Y 5.2383 7.9541 114.4367 56.7264 40.8628 173.9073 28 F 4.6339 8.9826 124.6980 56.1774 42.0365 173.2798 29 Y 5.0536 8.5747 128.1617 56.9467 39.1831 175.5599 30 T 3.9321 7.6984 116.5073 61.4320 69.4468 174.5125 31 S 3.9264 8.1641 115.3332 60.0126 62.5608 174.6196 32 G 4.0702 7.9104 107.7213 45.3254 0.0000 173.8298 33 K 4.7717 7.3793 113.2313 55.8966 33.2754 174.2649 34 C 4.7092 8.1625 109.9784 56.0139 42.3867 174.6276 35 S 3.6691 8.1900 113.2241 60.2750 60.4820 172.5015 36 N 4.6365 7.5749 107.8852 52.1021 40.6811 173.4032 37 P 4.5228 0.0000 0.0000 62.2582 33.1054 177.1499 38 A 4.2800 6.6349 119.2303 52.6890 23.4489 174.7146 39 V 4.6659 7.5674 107.6659 60.0528 36.0023 175.2251 40 V 4.4442 8.4118 126.4920 59.8376 32.5265 174.8888 41 F 5.5315 8.8054 126.2088 58.1143 40.2299 175.4575 42 V 4.5918 8.7355 118.9981 60.5794 31.4028 177.0630 43 T 4.5842 8.0914 117.2751 60.6689 70.5442 174.6924 44 R 3.8997 7.8550 116.4902 60.3251 29.2919 178.0401 45 K 3.8997 7.9014 118.4496 56.8257 32.2639 177.5424 46 N 4.4663 8.2575 114.7284 53.8075 37.8320 173.9554 47 R 4.0200 7.9391 114.5199 56.3394 30.8394 177.0598 48 Q 4.2144 8.8026 121.9439 56.2721 28.5092 175.0410 49 V 4.2685 8.4132 125.1462 61.1945 32.9155 174.6459 50 C 5.1058 8.9168 128.1220 56.8614 45.1219 174.1299 51 A 4.9238 8.5428 120.6134 52.4864 21.0103 172.3125 52 N 3.6720 8.6058 123.4812 52.8793 39.9920 172.6051 53 P 4.1898 0.0000 0.0000 64.9353 31.8711 176.5630 54 E 4.4035 7.2230 118.0720 55.7229 29.7563 175.7759 55 K 4.1191 7.5015 113.8213 55.1377 32.6849 177.5857 56 K 3.7148 7.4576 119.3508 56.4576 30.6918 177.0352 57 W 4.1890 8.4145 122.4130 60.2040 28.2460 178.7189 58 V 2.8767 5.7907 112.4298 64.3311 30.9423 178.5745 59 R 3.7943 7.4492 117.3217 59.0799 29.8904 178.9746 60 E 4.0720 7.9293 117.8751 59.0936 29.4061 178.2372 61 Y 4.7979 7.6547 116.0656 59.8423 38.2561 177.9188 62 I 3.0693 7.5713 120.2699 64.3618 37.2451 177.8512 63 N 4.5417 7.8191 115.7222 56.5408 38.5184 177.5666 64 S 4.2809 7.6630 113.7964 60.1721 63.2777 174.9165 65 L 4.4587 7.4302 121.4783 54.0693 42.3478 175.8481 66 E 4.5098 8.5417 121.9826 54.5159 30.8636 175.1908 67 M 4.0246 8.6963 123.3741 56.2292 31.7221 176.0542 68 S 4.3818 8.4684 121.0766 58.6723 63.1623 174.5908 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 S 8.33 4.22 0.00 3.56 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 2 P 0.00 3.75 0.00 2.06 1.95 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 3 Y 9.02 4.62 0.00 3.08 2.90 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 0.00 0.00 0.00 4 S 7.70 4.69 0.00 3.76 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 5 S 7.68 4.74 0.00 3.94 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 6 D 7.70 4.37 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.18 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 8 T 7.86 4.20 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 1.09 0.00 0.00 9 P 0.00 4.28 0.00 1.81 1.81 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 10 C 8.47 5.14 0.00 2.90 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 11 C 8.72 5.09 0.00 2.93 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 12 F 8.19 4.28 0.00 2.98 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 13 A 7.70 4.16 1.31 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 0.00 0.00 14 Y 7.30 4.68 0.00 3.11 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 15 I 8.18 3.81 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 1.42 0.00 0.00 16 A 8.39 4.52 1.34 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 0.00 0.00 0.00 17 R 7.38 4.41 0.00 1.78 1.73 0.00 3.31 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 18 P 0.00 2.00 0.00 1.52 0.49 0.00 3.69 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.36 0.00 19 L 7.55 3.75 0.00 1.42 1.54 1.24 1.19 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 20 P 0.00 3.68 0.00 1.65 1.64 0.00 3.42 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 21 R 7.58 3.54 0.00 1.23 1.66 0.00 3.26 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 22 A 7.47 3.99 1.25 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 0.00 0.00 0.00 23 H 8.10 4.40 0.00 3.14 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 6.39 4.51 1.77 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.47 1.21 0.00 0.00 25 K 8.12 4.62 0.00 1.95 1.90 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 26 E 7.90 5.14 0.00 1.98 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 0.00 2.50 2.22 0.00 27 Y 7.95 5.24 0.00 2.64 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 28 F 8.98 4.63 0.00 3.13 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 Y 8.57 5.05 0.00 2.92 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 7.70 3.93 4.01 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 0.00 0.00 0.00 1.13 0.00 0.00 31 S 8.16 3.93 0.00 3.84 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 32 G 7.91 4.07 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 0.00 33 K 7.38 4.77 0.00 1.85 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 1.20 7.81 34 C 8.16 4.71 0.00 3.04 3.11 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 35 S 8.19 3.67 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.57 4.64 0.00 2.70 2.75 0.00 0.00 6.98 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.52 0.00 2.20 2.06 0.00 3.45 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 38 A 6.63 4.28 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 39 V 7.57 4.67 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.52 0.00 0.00 40 V 8.41 4.44 2.23 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 1.15 0.00 0.00 1.14 0.00 0.00 41 F 8.81 5.53 0.00 3.30 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 42 V 8.74 4.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.12 0.00 0.00 43 T 8.09 4.58 4.53 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 0.00 0.00 1.37 0.00 0.00 44 R 7.86 3.90 0.00 1.98 2.12 0.00 3.05 0.00 0.00 3.45 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 45 K 7.90 3.90 0.00 1.79 1.95 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.45 7.81 46 N 8.26 4.47 0.00 3.00 2.97 0.00 0.00 7.24 7.14 0.00 0.00 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 R 7.94 4.02 0.00 1.78 1.90 0.00 3.29 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 48 Q 8.80 4.21 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 49 V 8.41 4.27 2.38 0.00 0.00 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 1.17 0.00 0.00 50 C 8.92 5.11 0.00 3.13 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.92 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 0.00 0.00 0.00 0.00 0.00 52 N 8.61 3.67 0.00 2.51 2.51 0.00 0.00 5.19 6.87 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 53 P 0.00 4.19 0.00 2.12 2.16 0.00 3.19 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 54 E 7.22 4.40 0.00 1.79 1.77 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 2.11 2.11 0.00 55 K 7.50 4.12 0.00 1.27 0.78 0.00 2.29 0.00 0.00 2.33 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.41 1.47 7.81 56 K 7.46 3.71 0.00 1.90 1.67 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.31 7.81 57 W 8.41 4.19 0.00 3.10 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 58 V 5.79 2.88 1.54 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 -0.20 0.00 0.00 0.28 0.00 0.00 59 R 7.45 3.79 0.00 1.72 1.85 0.00 2.99 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 60 E 7.93 4.07 0.00 1.93 2.16 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 2.41 2.36 0.00 61 Y 7.65 4.80 0.00 3.32 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 62 I 7.57 3.07 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.55 0.00 0.00 63 N 7.82 4.54 0.00 2.75 2.91 0.00 0.00 7.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.66 4.28 0.00 4.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.46 0.00 2.33 1.92 1.45 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.54 4.51 0.00 2.00 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 2.28 2.32 0.00 67 M 8.70 4.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 68 S 8.47 4.38 0.00 3.92 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