NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5445 0.0000 0.0000 62.7040 33.5276 174.4694 2 F 5.2537 8.7359 122.3685 56.1260 42.1075 172.4454 3 I 4.2679 8.5178 126.9244 59.2402 40.8902 173.2689 4 N 5.0045 8.4174 125.2919 51.6774 41.0582 173.3249 5 I 4.4941 8.8674 127.4447 59.4424 39.9558 174.5666 6 K 5.1747 8.7652 126.7073 54.5088 34.3236 175.4041 7 L 4.8070 8.9373 124.1661 54.5086 44.8713 174.6725 8 V 4.9958 7.7970 118.6726 59.6530 32.7100 173.7021 9 P 4.7644 0.0000 0.0000 63.0042 32.4099 175.7083 10 E 4.5512 9.4774 116.3349 57.0140 32.4582 175.7070 11 N 4.2482 9.9894 119.2880 54.3701 36.1195 175.4247 12 G 3.9259 8.6602 105.3629 45.3079 0.0000 174.3101 13 G 4.1470 7.7858 109.0553 42.8305 0.0000 171.5162 14 P 4.9129 0.0000 0.0000 62.1758 32.4884 176.8978 15 T 4.3315 8.9622 112.3312 60.9830 71.3492 175.6275 16 N 4.3349 8.7791 120.7321 57.2184 38.4110 178.1273 17 E 4.0618 8.0858 119.2823 61.0895 29.9659 182.0798 18 Q 4.2913 8.0587 118.4772 58.4576 28.6412 178.9066 19 K 3.9672 8.3127 120.2379 59.3687 32.0390 178.9982 20 Q 3.9434 8.0709 119.8820 59.4166 28.8688 178.4758 21 Q 4.0066 8.0477 118.9827 58.9042 28.6368 178.8798 22 L 3.9864 7.8371 120.0402 57.6814 41.6781 179.5079 23 I 3.7307 8.0995 122.4141 65.1943 37.0579 179.0800 24 E 4.1381 8.6214 119.6129 60.8276 29.5026 181.0149 25 G 3.7740 8.4336 106.9313 47.8894 0.0000 175.9265 26 V 3.5941 8.1305 121.9024 65.4077 31.3984 178.3150 27 S 4.1090 8.0890 114.7710 61.8632 62.6654 176.4509 28 D 4.3611 8.4714 121.9194 57.1674 40.5016 178.5419 29 L 3.9269 8.0737 120.9308 58.5309 42.0723 179.0251 30 M 4.0699 7.9477 118.1768 58.3196 31.8714 178.9857 31 V 3.6615 7.5900 118.5410 65.8947 31.5209 178.0902 32 K 3.9585 8.0753 118.5159 59.1698 32.0818 178.7356 33 V 3.8576 7.7625 117.5823 65.1203 31.7489 176.7357 34 L 4.6210 7.5321 114.2476 53.5355 42.2051 175.9099 35 N 4.8838 8.3543 116.0018 53.4029 36.1958 175.3503 36 K 4.1888 7.9067 117.0381 54.0731 32.9615 178.4225 37 N 4.5493 8.6665 119.8170 54.3643 39.3959 176.2452 38 K 3.8711 9.0374 127.7074 57.8051 31.8597 175.2003 39 A 4.2154 7.6503 121.7987 54.6010 18.2173 178.3671 40 S 4.5219 7.7274 107.5783 58.4811 63.6581 174.1255 41 I 4.2340 7.9683 124.1298 61.3272 37.4261 175.3756 42 V 4.4766 8.8106 127.8142 61.0889 33.8120 174.5307 43 V 4.7805 8.4082 126.5566 61.1234 34.4690 174.3513 44 I 4.5968 8.5965 128.1682 59.5699 40.4892 174.2803 45 I 4.8353 8.4900 127.8170 59.8658 38.8063 174.6137 46 D 4.9177 9.4217 127.9323 52.7012 43.1693 175.4607 47 E 4.9739 8.7960 122.7722 54.9107 31.0466 175.3449 48 V 4.2720 9.1453 126.6531 60.9110 33.5113 175.0240 49 D 4.5945 8.8298 127.5413 54.2527 41.8912 177.1466 50 S 4.3183 8.8045 120.0717 61.2450 62.9520 175.5448 51 N 4.6360 8.4464 116.5948 54.2289 38.5783 175.2067 52 N 4.8406 8.5959 114.7116 52.8377 39.7736 173.7122 53 Y 4.6245 7.9715 120.5410 55.3904 41.0073 174.3097 54 G 4.5186 8.4405 115.0331 43.5803 0.0000 171.7159 55 L 4.5809 8.6344 124.2924 54.1579 44.7263 176.7819 56 G 3.8902 9.6971 113.3162 46.3920 0.0000 174.0256 57 G 3.9128 8.8041 108.0171 45.5431 0.0000 174.0684 58 E 4.7686 7.9394 115.3646 52.9118 33.1257 180.1871 59 S 4.8293 8.5637 118.6517 57.5377 64.9912 175.7681 60 V 3.5561 8.6132 123.7832 66.4196 31.2920 177.8047 61 H 4.2629 8.1346 117.5599 59.3965 29.8581 176.5644 62 H 4.5935 8.4221 120.2150 58.4932 28.4153 177.3901 63 L 4.5748 7.9706 121.3914 55.2274 40.3887 181.5327 64 R 4.6737 7.2214 116.4133 56.7231 30.9572 179.3861 65 Q 3.9178 8.3838 123.6156 57.3763 28.8062 173.7621 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 P 0.00 4.54 0.00 2.16 2.27 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 2 F 8.74 5.25 0.00 3.00 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 3 I 8.52 4.27 1.70 0.00 0.00 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 1.04 0.47 0.78 0.00 0.00 4 N 8.42 5.00 0.00 2.41 2.58 0.00 0.00 7.00 7.94 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 5 I 8.87 4.49 1.84 0.00 0.00 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 1.18 0.65 0.90 0.00 0.00 6 K 8.77 5.17 0.00 1.67 1.79 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.41 7.81 7 L 8.94 4.81 0.00 1.68 1.72 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.80 5.00 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 1.22 0.00 0.00 0.65 0.00 0.00 9 P 0.00 4.76 0.00 1.97 1.96 0.00 3.79 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 2.03 2.09 0.00 10 E 9.48 4.55 0.00 2.04 1.95 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 2.08 2.17 0.00 11 N 9.99 4.25 0.00 2.87 2.92 0.00 0.00 7.17 7.65 0.00 0.00 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 G 8.66 3.93 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 0.00 0.00 0.00 13 G 7.79 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 0.00 0.00 0.00 14 P 0.00 4.91 0.00 2.18 2.04 0.00 3.75 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 1.97 1.94 0.00 15 T 8.96 4.33 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 16 N 8.78 4.33 0.00 2.75 2.92 0.00 0.00 6.93 7.66 0.00 0.00 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 E 8.09 4.06 0.00 1.97 1.95 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 2.31 1.96 0.00 18 Q 8.06 4.29 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.31 3.97 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.66 7.81 20 Q 8.07 3.94 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 21 Q 8.05 4.01 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 22 L 7.84 3.99 0.00 1.87 1.69 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.10 3.73 2.01 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 1.37 0.92 0.91 0.00 0.00 24 E 8.62 4.14 0.00 1.95 1.96 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 2.24 2.20 0.00 25 G 8.43 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 26 V 8.13 3.59 2.13 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 0.98 0.00 0.00 0.94 0.00 0.00 27 S 8.09 4.11 0.00 4.08 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 28 D 8.47 4.36 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 29 L 8.07 3.93 0.00 1.84 1.87 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.95 4.07 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.93 0.00 31 V 7.59 3.66 2.21 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 0.99 0.00 0.00 0.97 0.00 0.00 32 K 8.08 3.96 0.00 1.78 1.82 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.44 7.81 33 V 7.76 3.86 2.14 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 0.89 0.00 0.00 0.99 0.00 0.00 34 L 7.53 4.62 0.00 1.66 1.63 0.93 0.99 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 35 N 8.35 4.88 0.00 2.83 2.87 0.00 0.00 7.17 7.61 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 36 K 7.91 4.19 0.00 1.77 1.60 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 37 N 8.67 4.55 0.00 2.72 2.74 0.00 0.00 6.98 5.97 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 38 K 9.04 3.87 0.00 1.72 1.82 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.03 7.81 39 A 7.65 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.52 0.00 4.04 3.99 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 0.00 0.00 0.00 41 I 7.97 4.23 1.97 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 0.84 0.91 0.00 0.00 42 V 8.81 4.48 2.39 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 1.27 0.00 0.00 1.01 0.00 0.00 43 V 8.41 4.78 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 0.81 0.00 0.00 0.89 0.00 0.00 44 I 8.60 4.60 1.94 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.98 0.00 0.00 45 I 8.49 4.84 1.87 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 1.32 0.54 0.91 0.00 0.00 46 D 9.42 4.92 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.97 0.00 1.85 1.91 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 2.23 2.29 0.00 48 V 9.15 4.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.03 0.00 0.00 49 D 8.83 4.59 0.00 2.73 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 50 S 8.80 4.32 0.00 4.14 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 0.00 51 N 8.45 4.64 0.00 2.88 2.88 0.00 0.00 6.87 7.51 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 52 N 8.60 4.84 0.00 2.83 2.85 0.00 0.00 6.69 7.65 0.00 0.00 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 Y 7.97 4.62 0.00 3.00 2.69 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 0.00 0.00 0.00 0.00 54 G 8.44 4.52 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 0.00 0.00 0.00 55 L 8.63 4.58 0.00 1.87 1.56 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.70 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 0.00 0.00 0.00 57 G 8.80 3.91 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 0.00 0.00 0.00 58 E 7.94 4.77 0.00 1.87 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 2.12 2.07 0.00 59 S 8.56 4.83 0.00 4.11 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 3.56 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 0.71 0.00 0.00 0.84 0.00 0.00 61 H 8.13 4.26 0.00 3.18 3.25 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.42 4.59 0.00 3.40 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.97 4.57 0.00 1.65 1.54 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.22 4.67 0.00 1.70 1.74 0.00 3.39 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 65 Q 8.38 3.92 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00