NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4428 8.1627 118.3247 55.3275 33.5591 173.3469 2 Q 4.8533 8.2217 120.5271 52.7154 31.5457 172.6354 3 I 4.6457 8.9696 119.0697 59.0756 42.4738 173.2217 4 F 5.3614 8.7611 120.6426 55.6767 42.3565 174.8098 5 V 4.8397 9.1785 122.7725 61.2572 34.1584 174.1329 6 K 5.1758 9.1784 128.4635 54.9875 34.4570 176.7199 7 T 4.8058 8.5293 115.1307 59.9237 70.5663 174.1928 8 L 4.5695 8.3225 119.2496 55.0794 41.4994 177.3622 9 T 4.5052 7.7518 106.6835 61.3339 69.1180 174.2114 10 G 3.8730 8.5289 108.0861 46.1901 0.0000 173.5154 11 K 4.7270 7.9268 118.3183 55.0587 35.4965 175.0562 12 T 5.0517 8.4182 117.7353 61.9472 71.5692 173.2142 13 I 4.5353 8.8742 127.0674 59.9315 39.7440 174.6089 14 T 5.0552 8.5661 123.1949 62.0945 70.2767 174.0603 15 L 4.8019 8.6503 125.3655 52.7959 45.7290 174.9971 16 E 4.8519 8.6730 123.4962 55.3627 30.5780 175.3470 17 V 4.7168 8.9380 119.5108 60.0578 36.4787 174.0746 18 E 4.7717 9.3008 120.2264 53.9651 32.6636 176.3042 19 P 4.1570 0.0000 0.0000 65.4022 31.5715 178.3197 20 S 4.4529 7.8731 110.2488 58.7058 63.8924 174.1735 21 D 4.4132 8.1054 123.4995 54.7301 41.2851 176.3200 22 T 4.7253 8.1882 113.7102 60.9486 71.4456 175.8887 23 I 3.7346 8.3033 122.4103 64.7388 37.0000 178.7332 24 E 3.9763 8.1427 118.8914 59.3245 29.3464 178.8760 25 N 4.3066 8.0855 116.2878 56.2505 38.6338 177.5067 26 V 3.5588 7.8587 119.4983 66.0704 31.5618 178.1746 27 K 4.5189 8.6072 119.5147 58.9876 31.8800 179.1720 28 A 4.0112 8.2509 121.0649 54.9674 18.2441 179.8479 29 K 3.9326 8.1227 117.1394 59.6607 32.0750 179.6022 30 I 3.7015 7.8448 120.0560 64.3445 37.0179 178.1021 31 Q 4.2247 8.3449 122.1162 58.7047 28.6128 178.0254 32 D 4.3015 7.9673 117.7444 57.1984 41.3259 177.7227 33 K 4.1810 7.9813 118.9361 58.1670 32.4778 176.9987 34 E 4.4838 8.4530 115.5257 55.1062 31.1485 177.0647 35 G 3.9126 8.3742 106.7918 45.3588 0.0000 173.8013 36 I 3.9295 7.3848 121.7915 59.9248 37.7645 173.7288 37 P 4.4462 0.0000 0.0000 62.0555 32.0350 175.6072 38 P 4.2955 0.0000 0.0000 65.8324 31.4823 178.3777 39 D 4.4312 8.1089 116.6225 57.0794 40.9855 177.2610 40 Q 4.5646 8.0243 116.2424 56.1266 29.6673 175.2213 41 Q 4.7586 7.8640 118.3019 54.9365 30.9065 175.1458 42 R 4.8350 8.7836 121.2935 54.5679 33.7958 174.3937 43 L 5.1575 8.5269 123.7902 53.4781 44.4378 175.6948 44 I 5.5866 8.4311 121.8759 58.6966 41.6043 174.1727 45 F 5.0717 8.3137 127.3602 56.8944 43.2398 173.9617 46 A 3.5164 8.9160 125.9821 53.0246 15.9104 178.2766 47 G 3.9463 8.5759 107.0294 46.4591 0.0000 174.2316 48 K 4.6781 7.5409 118.0793 54.4081 35.4008 175.5176 49 Q 4.6217 8.4681 119.3801 56.2558 29.2387 175.8442 50 L 4.4499 8.9182 123.3579 53.7057 43.6024 175.7561 51 E 4.8249 9.2004 120.8626 54.3916 32.2021 175.7736 52 D 4.4911 8.6753 123.0467 56.1595 41.5241 175.6401 53 G 4.1328 10.4578 111.6839 45.8324 0.0000 174.6790 54 R 4.2208 7.6764 118.2642 55.9921 30.7142 176.1586 55 T 4.8257 8.3552 111.2838 60.0921 70.8539 175.1771 56 L 4.1826 8.5663 122.2283 57.9017 41.9112 180.2506 57 S 4.1794 8.1469 113.3057 61.2519 62.9416 176.2491 58 D 4.2898 7.6633 120.0256 56.5638 40.5328 176.6029 59 Y 4.6900 7.6457 114.6876 57.2973 38.1707 175.3609 60 N 4.3246 8.0885 115.5878 54.2210 36.5811 174.2342 61 I 3.5841 7.6629 119.3601 60.9426 37.8857 175.3048 62 Q 4.5613 8.7629 123.2262 53.6530 31.5586 173.7143 63 K 3.7501 8.5452 117.8345 58.8695 32.0636 176.5329 64 E 3.8118 9.2739 124.4603 56.6738 27.7969 174.8341 65 S 4.5818 7.8508 115.6411 59.0398 64.2535 173.1591 66 T 5.2729 8.7268 118.4688 62.0318 70.7120 173.7370 67 L 5.1264 9.3000 125.8244 53.5091 45.3916 175.0977 68 H 5.4061 9.0968 117.5548 54.1379 32.0427 173.3757 69 L 5.2037 9.0194 122.6090 53.5303 44.8161 175.7289 70 V 4.5610 8.6597 118.6424 59.5607 35.8245 174.4726 71 L 5.0993 8.4422 122.3754 53.4765 43.5460 176.2584 72 R 4.4641 9.0811 123.2746 54.6328 32.8875 174.1664 73 L 4.5136 8.3710 127.6561 52.7965 42.7670 176.7163 74 R 4.0155 8.6438 120.6461 57.8378 29.4380 176.8860 75 G 3.7553 9.3520 109.0490 45.1632 0.0000 173.6237 76 G 4.1652 8.1533 113.9855 45.8596 0.0000 173.9033 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 4.44 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 2 Q 8.22 4.85 0.00 2.08 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 1.95 2.42 0.00 3 I 8.97 4.65 1.84 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 1.10 0.42 0.80 0.00 0.00 4 F 8.76 5.36 0.00 3.07 2.89 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 5 V 9.18 4.84 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 1.08 0.00 0.00 0.93 0.00 0.00 6 K 9.18 5.18 0.00 1.54 1.68 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.34 7.81 7 T 8.53 4.81 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 1.23 0.00 0.00 8 L 8.32 4.57 0.00 1.64 1.71 0.93 0.75 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 9 T 7.75 4.51 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 10 G 8.53 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 0.00 0.00 0.00 11 K 7.93 4.73 0.00 1.85 1.92 0.00 1.26 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 12 T 8.42 5.05 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 1.28 0.00 0.00 13 I 8.87 4.54 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.93 0.00 0.00 14 T 8.57 5.06 4.30 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 1.17 0.00 0.00 15 L 8.65 4.80 0.00 1.47 1.46 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.85 0.00 1.91 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 2.21 2.35 0.00 17 V 8.94 4.72 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 0.69 0.00 0.00 0.90 0.00 0.00 18 E 9.30 4.77 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 2.18 2.37 0.00 19 P 0.00 4.16 0.00 2.15 2.07 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 2.04 0.00 20 S 7.87 4.45 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 8.11 4.41 0.00 2.87 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 8.19 4.73 4.46 0.00 0.00 0.00 0.00 0.00 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 8.30 3.73 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.12 0.93 0.00 0.00 24 E 8.14 3.98 0.00 2.06 2.00 0.00 0.00 0.00 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 2.63 0.00 25 N 8.09 4.31 0.00 3.03 2.86 0.00 0.00 6.63 7.01 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 26 V 7.86 3.56 2.24 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 1.01 0.00 0.00 0.97 0.00 0.00 27 K 8.61 4.52 0.00 1.96 1.85 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.55 7.81 28 A 8.25 4.01 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 29 K 8.12 3.93 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.84 3.70 2.14 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 1.41 0.80 0.92 0.00 0.00 31 Q 8.34 4.22 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 32 D 7.97 4.30 0.00 2.70 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 33 K 7.98 4.18 0.00 1.92 1.81 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 E 8.45 4.48 0.00 2.04 1.93 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 2.23 2.36 0.00 35 G 8.37 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 36 I 7.38 3.93 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 1.26 0.92 0.00 0.00 37 P 0.00 4.45 0.00 2.17 1.98 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.30 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 39 D 8.11 4.43 0.00 2.67 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 40 Q 8.02 4.56 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 41 Q 7.86 4.76 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 42 R 8.78 4.84 0.00 1.83 1.79 0.00 3.27 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.53 5.16 0.00 1.57 1.54 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.43 5.59 2.02 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 1.09 0.72 0.98 0.00 0.00 45 F 8.31 5.07 0.00 2.93 2.66 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 0.00 0.00 0.00 0.00 46 A 8.92 3.52 0.98 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 47 G 8.58 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 0.00 0.00 0.00 48 K 7.54 4.68 0.00 1.94 1.87 0.00 1.37 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.33 7.81 49 Q 8.47 4.62 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.92 4.45 0.00 1.35 1.26 0.69 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.20 4.82 0.00 2.04 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 2.30 2.37 0.00 52 D 8.68 4.49 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 10.46 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 0.00 0.00 0.00 54 R 7.68 4.22 0.00 1.97 1.61 0.00 3.12 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 55 T 8.36 4.83 4.39 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 1.24 0.00 0.00 56 L 8.57 4.18 0.00 1.83 1.67 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.15 4.18 0.00 4.00 4.11 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 58 D 7.66 4.29 0.00 2.57 2.35 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 59 Y 7.65 4.69 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.32 0.00 3.07 3.02 0.00 0.00 6.93 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 61 I 7.66 3.58 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 62 Q 8.76 4.56 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 63 K 8.55 3.75 0.00 1.71 1.80 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 E 9.27 3.81 0.00 2.17 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 0.00 2.39 2.65 0.00 65 S 7.85 4.58 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.73 5.27 4.35 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 1.22 0.00 0.00 67 L 9.30 5.13 0.00 1.55 1.78 0.86 0.77 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 68 H 9.10 5.41 0.00 3.13 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.02 5.20 0.00 1.71 1.50 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.66 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 71 L 8.44 5.10 0.00 1.52 1.58 0.93 0.86 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 72 R 9.08 4.46 0.00 1.81 1.77 0.00 3.08 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 73 L 8.37 4.51 0.00 1.79 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.64 4.02 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 75 G 9.35 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 0.00 0.00 0.00 76 G 8.15 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 0.00 0.00 0.00