NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4458 8.3049 120.3554 55.9956 32.8529 176.7820 2 T 4.2304 7.4512 118.3102 62.2079 66.9592 170.9335 3 H 5.3027 8.4057 120.9879 53.5830 33.6634 171.9495 4 L 5.1164 8.9528 123.1486 53.1394 45.9410 174.7122 5 K 4.8407 8.9426 125.6198 54.7164 34.7356 174.7932 6 I 4.7319 8.6240 128.8863 60.6678 38.2161 175.2148 7 T 4.5337 8.7890 115.9404 61.4686 72.3713 174.2100 8 G 4.2269 9.1679 113.8662 46.1788 0.0000 173.9073 9 M 4.4229 7.4652 117.7617 54.4470 33.5556 173.6491 10 T 4.3484 7.3699 111.9797 63.3353 71.4966 175.9800 11 C 4.7276 7.7135 113.4610 59.1237 33.9472 175.0217 12 D 4.0696 8.9104 121.2595 55.4969 40.6584 175.5659 13 S 4.1242 8.7902 116.3834 61.6726 64.1951 176.5320 14 C 4.0283 8.3208 118.4011 62.6449 27.7549 175.8889 15 A 3.9928 7.8103 121.3864 54.4745 17.9085 179.4290 16 A 3.9033 7.8859 119.9436 55.7196 18.5117 179.3684 17 H 4.2545 7.8193 115.8642 59.0327 29.8478 177.6512 18 V 3.5349 7.4878 120.4675 65.9227 31.3192 177.9624 19 K 3.9340 8.4442 119.7826 59.3864 32.0131 178.3736 20 E 3.9067 8.4684 119.7183 59.2894 29.3870 178.7220 21 A 4.0395 8.3557 120.0575 54.9216 18.6804 179.3809 22 L 4.0956 8.0245 117.7623 58.0648 41.5880 179.2708 23 E 4.2086 8.2595 116.2814 58.1556 29.5701 178.8533 24 K 4.2423 7.9067 118.1877 57.2910 32.4560 177.0692 25 V 3.9508 7.2752 120.7749 61.1913 31.7314 174.5047 26 P 4.4431 0.0000 0.0000 63.8925 31.1880 176.7468 27 G 4.1541 8.0744 106.0911 45.9577 0.0000 174.3065 28 V 4.2171 7.6959 120.9248 62.0593 31.9618 175.5932 29 Q 4.4668 9.1598 121.5152 57.4606 30.8786 176.8805 30 S 4.3593 7.8575 119.0628 57.8063 66.0398 172.9482 31 A 4.8323 8.5533 127.8545 50.2799 19.8393 176.1228 32 L 4.5797 8.4680 123.1152 54.8412 42.5573 175.7911 33 V 4.3411 8.3886 124.2583 61.8116 33.1328 175.8666 34 S 4.6564 9.1460 125.2205 57.2480 62.8662 174.4412 35 Y 4.1701 8.6465 124.7147 59.6466 37.6676 176.1809 36 P 3.9172 0.0000 0.0000 63.2481 31.5286 177.4242 37 K 4.3483 7.3224 116.2645 55.6359 33.2796 177.3588 38 G 3.9322 8.4724 106.6567 45.6915 0.0000 172.3933 39 T 5.2212 7.5923 107.8976 59.4588 72.9369 172.1588 40 A 4.8753 9.3439 124.0772 50.2386 22.3333 175.6687 41 Q 4.5844 9.1429 125.3046 54.0989 28.3158 172.3268 42 L 5.0249 7.8959 119.2616 53.7895 42.4671 176.6389 43 A 4.6845 9.1610 126.9068 50.7003 20.4088 175.9758 44 I 5.1825 8.1138 114.8242 58.6180 41.2946 175.4610 45 V 3.8127 9.0774 123.2024 60.2563 32.5821 175.0528 46 P 4.8627 0.0000 0.0000 61.9560 29.1376 175.5864 47 G 4.2397 7.4202 104.8669 46.9799 0.0000 172.2163 48 T 4.2930 7.6819 117.0998 62.7970 69.5956 173.3107 49 S 4.8250 8.1126 115.6981 55.4232 65.7811 173.5936 50 P 4.3392 0.0000 0.0000 65.3467 31.0519 178.4972 51 D 4.3692 8.1009 117.3225 55.8507 39.4033 178.2785 52 A 4.0166 7.9133 122.7848 54.8660 18.3966 179.5874 53 L 3.9523 7.8054 117.1266 58.0480 41.7672 179.4713 54 T 3.8560 8.1488 115.6457 66.7973 68.3939 176.5461 55 A 4.0105 8.2939 122.4156 54.8251 18.0993 179.5343 56 A 3.9094 7.9611 118.9951 55.4293 18.8103 179.7774 57 V 3.7660 8.2201 116.9396 66.1476 31.4224 178.1480 58 A 4.8855 7.8129 121.3883 54.1200 18.2475 178.8043 59 G 3.9171 8.0661 102.2162 44.8644 0.0000 174.0523 60 L 4.2731 7.5323 119.4646 54.1701 41.7888 177.6341 61 G 3.7165 8.1264 107.7486 44.9868 0.0000 172.8837 62 Y 5.1157 6.8647 117.4036 56.3496 41.7065 173.6461 63 K 5.0050 8.5915 119.8650 55.4278 35.5568 176.2023 64 A 5.2966 8.7913 127.7567 50.8776 22.3954 175.4246 65 T 4.6987 8.7072 115.2990 62.6828 73.2513 172.1614 66 L 4.9606 8.3811 123.0601 54.7307 45.0695 176.1402 67 A 4.3334 8.0874 126.8967 51.2333 22.4779 175.9217 68 D 4.5854 8.9417 123.6326 53.4381 40.5974 176.1106 69 A 4.1597 7.6876 126.3060 51.8484 19.3888 175.8795 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 4.45 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 T 7.45 4.23 4.41 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 0.00 0.00 0.00 1.20 0.00 0.00 3 H 8.41 5.30 0.00 3.09 3.28 0.00 5.75 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 4 L 8.95 5.12 0.00 1.72 1.47 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.94 4.84 0.00 1.82 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.39 7.81 6 I 8.62 4.73 2.03 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 1.27 0.55 0.91 0.00 0.00 7 T 8.79 4.53 4.27 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 1.23 0.00 0.00 8 G 9.17 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 0.00 0.00 0.00 0.00 9 M 7.47 4.42 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 10 T 7.37 4.35 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 1.24 0.00 0.00 11 C 7.71 4.73 0.00 3.47 3.19 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 0.00 12 D 8.91 4.07 0.00 2.00 2.15 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 13 S 8.79 4.12 0.00 3.85 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 14 C 8.32 4.03 0.00 2.86 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 15 A 7.81 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.89 3.90 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 H 7.82 4.25 0.00 3.30 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.49 3.53 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 0.89 0.00 0.00 0.84 0.00 0.00 19 K 8.44 3.93 0.00 1.88 2.00 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 20 E 8.47 3.91 0.00 2.32 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 0.00 2.34 2.36 0.00 21 A 8.36 4.04 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.02 4.10 0.00 1.97 1.73 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.26 4.21 0.00 2.05 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 0.00 2.35 2.35 0.00 24 K 7.91 4.24 0.00 1.91 1.88 0.00 1.96 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.45 7.81 25 V 7.28 3.95 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 1.09 0.00 0.00 1.01 0.00 0.00 26 P 0.00 4.44 0.00 2.22 2.14 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 27 G 8.07 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 28 V 7.70 4.22 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 0.68 0.00 0.00 0.96 0.00 0.00 29 Q 9.16 4.47 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 30 S 7.86 4.36 0.00 3.72 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 31 A 8.55 4.83 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 32 L 8.47 4.58 0.00 1.74 1.80 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.39 4.34 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 0.82 0.00 0.00 0.94 0.00 0.00 34 S 9.15 4.66 0.00 3.74 3.78 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 0.00 0.00 0.00 35 Y 8.65 4.17 0.00 3.26 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 36 P 0.00 3.92 0.00 1.75 1.66 0.00 3.34 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 0.00 37 K 7.32 4.35 0.00 1.96 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.53 7.81 38 G 8.47 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 39 T 7.59 5.22 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 1.30 0.00 0.00 40 A 9.34 4.88 1.22 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 0.00 0.00 41 Q 9.14 4.58 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 42 L 7.90 5.02 0.00 1.64 1.65 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.16 4.68 1.28 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 0.00 0.00 44 I 8.11 5.18 1.93 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 1.39 0.77 0.93 0.00 0.00 45 V 9.08 3.81 2.17 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 0.70 0.00 0.00 0.93 0.00 0.00 46 P 0.00 4.86 0.00 2.06 2.07 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 47 G 7.42 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 0.00 0.00 0.00 0.00 48 T 7.68 4.29 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 49 S 8.11 4.83 0.00 4.21 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 50 P 0.00 4.34 0.00 2.19 2.14 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 51 D 8.10 4.37 0.00 2.87 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 52 A 7.91 4.02 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 53 L 7.81 3.95 0.00 1.71 1.73 0.92 0.77 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 54 T 8.15 3.86 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 1.23 0.00 0.00 55 A 8.29 4.01 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.96 3.91 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 57 V 8.22 3.77 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 1.26 0.00 0.00 1.02 0.00 0.00 58 A 7.81 4.89 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 59 G 8.07 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.53 4.27 0.00 1.84 1.20 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.13 3.72 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 0.00 0.00 0.00 62 Y 6.86 5.12 0.00 3.05 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 63 K 8.59 5.00 0.00 1.74 1.63 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.54 7.81 64 A 8.79 5.30 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 65 T 8.71 4.70 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 66 L 8.38 4.96 0.00 1.60 1.50 1.02 0.90 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 67 A 8.09 4.33 1.21 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 0.00 0.00 68 D 8.94 4.59 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.16 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