NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4723 8.1633 118.3260 55.2714 33.4035 173.8047 2 Q 4.7601 8.2713 118.8497 53.0052 30.9803 173.2192 3 I 4.7779 9.0201 116.6242 59.0718 42.3170 173.5493 4 F 5.3787 9.0866 120.7020 55.6578 42.7348 174.5233 5 V 4.8971 9.1864 122.5758 61.1696 34.2161 174.2903 6 K 5.1287 8.9841 127.7618 55.2861 34.4876 176.1036 7 T 4.8465 8.7215 114.4391 59.8863 71.1797 175.7705 8 L 4.0854 8.6387 121.7035 57.4020 41.7116 178.3274 9 T 4.2087 7.9042 106.7018 61.5369 69.2745 175.3444 10 G 3.9084 8.2440 110.7698 45.2363 0.0000 173.1978 11 K 4.4468 8.0738 121.0784 55.5642 33.9479 175.5160 12 T 5.1253 8.4511 122.1578 61.8758 71.1649 173.3316 13 I 4.6128 9.1019 127.1788 59.8507 40.1703 174.5672 14 T 4.9148 8.5342 122.3925 61.9452 70.3154 173.9395 15 L 4.8020 8.5016 125.1258 52.8087 46.1189 174.9094 16 E 4.8454 8.6278 122.5839 54.9935 30.7055 175.2864 17 V 4.7532 8.9940 119.4557 59.9943 36.4593 174.2392 18 E 4.7708 9.6287 120.7067 53.9225 32.4794 176.1698 19 P 4.1838 0.0000 0.0000 65.3795 31.5740 178.1394 20 S 4.4781 7.8682 110.2044 58.5867 63.8851 174.1191 21 D 4.4929 8.1815 123.4180 54.5370 41.3795 175.9851 22 T 4.6984 8.1428 113.1792 61.0245 71.5340 176.0871 23 I 3.6878 8.3176 123.4653 64.5773 37.1454 178.4400 24 E 3.9445 8.1758 119.6824 59.3951 29.4597 178.5301 25 N 4.3559 8.1195 116.6052 56.1702 38.5827 177.5677 26 V 3.5658 7.8674 119.7170 65.9538 31.5526 178.1970 27 K 3.9455 8.4550 118.4131 59.4575 31.8772 179.1422 28 A 3.9810 8.0438 120.9920 55.0943 18.3819 179.8727 29 K 3.9602 8.0258 117.0753 59.6181 32.0588 179.6863 30 I 3.7316 7.7514 120.2177 64.2457 36.9023 178.1878 31 Q 4.0278 8.3352 120.7001 59.2892 28.6668 177.8618 32 D 4.3048 7.8954 117.8205 57.2930 41.3030 178.0407 33 K 4.1777 7.7507 117.5535 58.5126 32.3987 178.2264 34 E 4.6010 8.8747 116.2628 55.2597 30.9572 177.2683 35 G 3.8536 8.1964 106.8650 45.4551 0.0000 173.2251 36 I 4.0946 7.4404 120.5230 59.1983 37.6193 174.1259 37 P 4.3441 0.0000 0.0000 61.9624 32.0172 175.6519 38 P 4.2361 0.0000 0.0000 65.9389 31.3927 178.1230 39 D 4.4863 8.0661 115.9889 56.4618 41.1274 176.5836 40 Q 4.5264 8.3766 117.5951 55.7639 29.9631 174.9448 41 Q 5.0973 7.7395 118.3691 54.1393 31.2531 175.3275 42 R 4.6323 8.9444 121.7576 54.4078 33.7494 174.2479 43 L 5.1716 8.5336 123.6551 53.0996 44.2479 175.4230 44 I 5.0922 8.8348 124.2627 59.4782 40.9536 174.4166 45 F 4.9571 8.9783 127.6564 56.9703 42.8137 174.3839 46 A 3.4825 8.9935 128.8383 53.0748 15.9207 177.7184 47 G 3.9214 8.3540 106.3764 46.5964 0.0000 174.1671 48 K 4.5851 7.9334 119.8948 54.2127 34.4145 174.9955 49 Q 4.5522 8.5064 124.4977 55.8732 29.7163 175.0545 50 L 4.1450 8.6604 127.4077 54.1192 42.7142 176.3855 51 E 4.5627 8.5808 121.9480 55.3817 30.9234 177.5533 52 D 4.3696 8.9529 122.0811 56.7593 41.1457 177.5568 53 G 3.9345 8.0538 105.9050 45.3655 0.0000 173.2400 54 R 4.6184 7.7249 119.6732 54.4953 32.8172 175.0647 55 T 4.9847 8.1952 109.2884 59.7568 71.4102 175.7630 56 L 4.0466 8.4261 122.1064 58.0732 41.4862 180.1586 57 S 4.1639 8.1377 114.0785 61.5212 62.5722 176.2737 58 D 4.2801 7.7291 121.8623 56.5799 40.4491 177.2203 59 Y 4.5191 7.5190 114.8959 56.4171 38.4700 175.0627 60 N 4.1668 8.0486 115.8953 54.1379 36.9551 174.6624 61 I 3.6801 7.7111 117.9095 60.8994 38.0528 176.0553 62 Q 4.6170 8.2395 124.0612 53.0725 31.1919 175.0570 63 K 3.9418 8.3811 117.9942 58.9379 32.5180 176.3580 64 E 4.0623 8.9578 119.6626 57.5914 27.6111 174.8427 65 S 4.6512 7.8474 114.5144 58.8712 64.3667 173.2845 66 T 5.1841 8.7489 119.2330 62.0739 70.3465 173.8207 67 L 4.9888 9.4951 127.1458 53.5405 45.0243 174.9546 68 H 5.1244 9.1442 118.2737 54.0282 31.4714 173.0599 69 L 5.0675 8.6597 125.2014 53.3786 43.6940 175.6140 70 V 4.5616 8.9628 125.7833 61.0712 34.8092 173.8936 71 L 5.1493 8.5093 125.6881 52.9343 44.1026 176.3862 72 R 4.2509 8.3682 122.2835 56.4739 29.8419 175.1938 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 8.16 4.47 0.00 2.08 2.22 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 2.48 2.71 0.00 2 Q 8.27 4.76 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 3 I 9.02 4.78 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.80 0.00 0.00 4 F 9.09 5.38 0.00 2.99 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 5 V 9.19 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.13 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.72 4.85 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 1.27 0.00 0.00 8 L 8.64 4.09 0.00 1.66 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 4.21 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 10 G 8.24 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 11 K 8.07 4.45 0.00 1.88 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.45 5.13 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 1.27 0.00 0.00 13 I 9.10 4.61 1.90 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 1.25 0.83 0.92 0.00 0.00 14 T 8.53 4.91 4.26 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 1.03 0.00 0.00 15 L 8.50 4.80 0.00 1.45 1.44 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.91 1.80 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 2.17 2.27 0.00 17 V 8.99 4.75 2.10 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.63 4.77 0.00 1.78 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 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 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 2.09 2.06 0.00 20 S 7.87 4.48 0.00 3.96 3.96 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 21 D 8.18 4.49 0.00 2.83 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 22 T 8.14 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 1.21 0.00 0.00 23 I 8.32 3.69 2.04 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 1.72 1.07 0.90 0.00 0.00 24 E 8.18 3.94 0.00 2.15 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 2.38 2.41 0.00 25 N 8.12 4.36 0.00 3.06 2.84 0.00 0.00 6.63 7.84 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 26 V 7.87 3.57 2.22 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.46 3.95 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 A 8.04 3.98 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 29 K 8.03 3.96 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.75 3.73 2.04 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 1.40 0.94 0.94 0.00 0.00 31 Q 8.34 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 7.90 4.30 0.00 2.72 2.85 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 33 K 7.75 4.18 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 34 E 8.87 4.60 0.00 1.97 1.97 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 2.25 2.43 0.00 35 G 8.20 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 0.00 0.00 0.00 36 I 7.44 4.09 1.87 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 1.42 0.76 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.79 0.00 0.00 3.97 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 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.07 4.49 0.00 2.67 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 40 Q 8.38 4.53 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 7.74 5.10 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 42 R 8.94 4.63 0.00 1.71 1.79 0.00 3.09 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.53 5.17 0.00 1.55 1.54 0.90 0.80 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 44 I 8.83 5.09 1.90 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 1.10 0.74 0.89 0.00 0.00 45 F 8.98 4.96 0.00 3.02 2.77 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 46 A 8.99 3.48 0.79 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 47 G 8.35 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 48 K 7.93 4.59 0.00 1.85 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.54 7.81 49 Q 8.51 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 4.14 0.00 1.38 1.25 0.73 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.58 4.56 0.00 2.07 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 2.33 2.38 0.00 52 D 8.95 4.37 0.00 2.66 2.74 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 53 G 8.05 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 54 R 7.72 4.62 0.00 2.02 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 T 8.20 4.98 4.48 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 1.21 0.00 0.00 56 L 8.43 4.05 0.00 1.86 1.70 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.16 0.00 4.04 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 58 D 7.73 4.28 0.00 2.57 2.40 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 59 Y 7.52 4.52 0.00 3.04 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 60 N 8.05 4.17 0.00 2.92 2.92 0.00 0.00 6.98 7.06 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 61 I 7.71 3.68 1.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.25 0.59 0.00 0.00 62 Q 8.24 4.62 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 K 8.38 3.94 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 8.96 4.06 0.00 2.25 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 0.00 2.47 2.36 0.00 65 S 7.85 4.65 0.00 3.80 3.87 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 66 T 8.75 5.18 4.32 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 1.23 0.00 0.00 67 L 9.50 4.99 0.00 1.61 1.61 0.95 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.14 5.12 0.00 3.22 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 5.07 0.00 1.63 1.67 1.04 0.76 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 70 V 8.96 4.56 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.51 5.15 0.00 1.55 1.54 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.37 4.25 0.00 1.80 1.75 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00