NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5863 8.3049 118.1939 54.5906 33.7485 175.5284 2 P 4.3706 0.0000 0.0000 62.3427 30.9335 177.7704 3 P 4.1619 0.0000 0.0000 62.0006 33.8059 174.8953 4 R 4.7107 8.0762 116.2349 53.0186 34.6712 174.3273 5 P 4.2270 0.0000 0.0000 66.1365 31.5293 179.1689 6 L 3.9917 7.9092 116.7152 57.5004 41.5158 179.2751 7 D 4.2884 7.9733 118.6656 57.5210 40.7386 178.6831 8 V 3.7667 7.2669 117.1102 65.8272 31.4273 177.5389 9 L 3.8982 7.1095 118.9380 57.8916 42.0851 178.0852 10 N 4.5248 7.7335 116.9105 56.5990 38.6354 177.2269 11 R 4.3330 8.0266 115.1141 56.7158 30.0478 177.3061 12 S 4.6251 8.3902 112.2486 57.6387 65.7693 174.0527 13 L 4.2465 7.8081 121.0227 56.4486 41.6501 177.6255 14 K 4.1030 9.3110 122.0669 56.2859 30.8306 176.0856 15 S 5.0281 7.9007 114.4086 55.4593 66.2032 171.8812 16 P 4.9954 0.0000 0.0000 63.3185 32.3745 175.5079 17 V 4.9970 8.9666 114.8477 59.9846 37.0521 173.9734 18 I 4.8145 9.1339 123.1369 59.6916 39.8060 174.8604 19 V 4.6962 9.2013 127.7951 61.1307 33.8186 174.3950 20 R 4.4187 8.5067 129.9003 54.8931 29.7915 175.6731 21 L 4.7493 8.1529 127.3109 53.9265 43.4368 176.8106 22 K 3.9413 8.4355 121.0247 57.8444 32.1741 176.4879 23 G 4.2599 9.3670 117.7599 43.8317 0.0000 175.0940 24 G 4.6385 7.3974 116.5967 45.9188 0.0000 173.1723 25 R 4.3149 7.1386 118.5204 56.8203 31.6084 175.3002 26 E 4.9828 8.5813 117.4550 55.4095 34.7695 174.5543 27 F 5.5436 9.2958 119.2865 54.7416 43.4210 174.5488 28 R 5.1193 7.8166 120.2533 53.9614 33.6267 174.7136 29 G 4.4893 8.2819 110.0111 46.2209 0.0000 171.0319 30 T 4.7884 8.2402 117.2569 62.0530 69.9607 174.4520 31 L 4.0541 8.6705 129.7453 55.8991 42.3094 176.6391 32 D 4.5590 8.9254 127.7966 56.5467 42.4592 175.8585 33 G 4.2125 7.7721 103.5212 47.1289 0.0000 171.0461 34 Y 5.6642 7.9220 114.9206 59.3213 40.1695 171.6269 35 D 4.1460 8.3372 117.1533 53.6939 41.9159 175.6785 36 I 3.6848 8.6019 119.3288 65.3397 37.0110 177.3967 37 H 4.1637 7.8474 115.2017 57.6728 28.5798 175.8669 38 M 3.5755 8.0850 116.4843 55.3799 31.6405 175.9992 39 N 4.8876 8.4469 113.7008 52.9909 39.9987 174.1197 40 L 5.3779 8.8422 120.2350 53.0403 46.4921 175.6386 41 V 4.8947 8.4606 120.3527 61.2292 34.6750 174.4162 42 L 5.3616 8.9162 126.1775 53.0365 46.1479 175.4298 43 L 4.8893 8.5023 121.0041 53.4158 45.1825 176.0420 44 D 4.7278 8.4997 117.8174 55.4751 38.4632 172.6782 45 A 5.7683 7.9393 124.2117 49.3519 23.7421 175.8602 46 E 5.1601 8.5760 117.0584 54.5513 33.7312 174.8909 47 E 3.8703 8.6971 124.1024 54.9918 31.9221 175.0383 48 I 4.9608 8.2250 126.0463 59.6644 41.6263 173.7680 49 Q 4.5181 8.7054 128.7342 54.2111 31.1150 175.0095 50 N 4.4203 10.0238 126.9412 54.7694 37.6404 173.4352 51 G 4.1281 8.5365 105.0509 45.3671 0.0000 174.1655 52 E 4.2932 7.8048 119.3445 54.4726 30.7480 175.3064 53 V 3.9828 8.1235 124.9721 62.6272 31.5553 175.9504 54 V 3.8485 8.4040 128.3160 64.0346 32.0629 175.8368 55 R 4.4822 6.9386 118.2047 55.8596 32.8927 172.8027 56 K 5.1213 8.7982 123.8189 54.8689 34.6082 175.9657 57 V 4.4611 8.6630 116.1370 59.5579 36.0052 176.5043 58 G 3.9525 8.9915 111.6011 49.1545 0.0000 173.1296 59 S 5.2034 7.7194 112.4588 57.2180 66.1712 173.1407 60 V 4.5114 8.7955 112.5481 59.8120 36.3659 174.4961 61 V 4.6286 8.2683 122.7234 61.3651 33.6403 174.5921 62 I 4.3208 8.4767 130.0047 59.2285 39.2732 175.9253 63 R 4.3258 8.6517 126.8979 56.1608 30.8334 177.2639 64 G 3.8932 10.1094 113.6843 49.3353 0.0000 175.3452 65 D 4.4348 8.1978 118.8957 57.3877 41.1914 178.9627 66 T 3.9979 7.9599 115.3404 66.0306 68.7190 175.1100 67 V 3.9171 7.9690 121.5652 62.9720 32.1888 174.8006 68 V 4.3567 8.4375 126.6975 64.0529 32.6663 175.4904 69 F 5.1019 7.2600 113.1949 55.7335 41.1077 172.5286 70 V 5.2028 8.6093 119.7024 61.3437 34.3081 174.7595 71 S 4.8691 9.1063 121.3507 55.8409 66.7654 171.4300 72 P 4.7137 0.0000 0.0000 62.9948 31.9304 175.6086 73 A 4.6041 8.3266 126.7463 49.4434 19.4461 175.2047 74 P 4.3563 0.0000 0.0000 63.9002 31.5857 176.6703 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 4.59 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 P 0.00 4.37 0.00 2.14 1.41 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 3 P 0.00 4.16 0.00 2.03 2.02 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 4 R 8.08 4.71 0.00 2.08 1.75 0.00 3.32 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 5 P 0.00 4.23 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 6 L 7.91 3.99 0.00 1.73 1.85 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.97 4.29 0.00 2.96 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 8 V 7.27 3.77 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 9 L 7.11 3.90 0.00 1.54 1.06 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.73 4.52 0.00 2.97 3.02 0.00 0.00 7.25 7.60 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 11 R 8.03 4.33 0.00 1.90 1.92 0.00 3.15 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 12 S 8.39 4.63 0.00 3.89 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 13 L 7.81 4.25 0.00 1.67 1.67 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.31 4.10 0.00 1.90 2.04 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 15 S 7.90 5.03 0.00 3.87 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 16 P 0.00 5.00 0.00 2.16 2.23 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 17 V 8.97 5.00 2.12 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 0.98 0.00 0.00 1.04 0.00 0.00 18 I 9.13 4.81 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.08 1.02 0.00 0.00 19 V 9.20 4.70 2.20 0.00 0.00 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 0.98 0.00 0.00 20 R 8.51 4.42 0.00 0.95 0.66 0.00 3.00 0.00 0.00 2.91 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.24 0.00 21 L 8.15 4.75 0.00 1.61 1.58 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.44 3.94 0.00 1.64 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 23 G 9.37 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 0.00 0.00 0.00 0.00 24 G 7.40 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.14 4.31 0.00 1.76 1.82 0.00 3.10 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 26 E 8.58 4.98 0.00 1.84 1.74 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 2.29 2.22 0.00 27 F 9.30 5.54 0.00 2.97 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 28 R 7.82 5.12 0.00 1.73 1.83 0.00 3.45 0.00 0.00 3.30 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.00 29 G 8.28 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.79 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 1.24 0.00 0.00 31 L 8.67 4.05 0.00 1.80 1.75 1.00 0.94 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 32 D 8.93 4.56 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 4.21 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 0.00 34 Y 7.92 5.66 0.00 3.17 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 35 D 8.34 4.15 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 3.68 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.37 0.86 0.00 0.00 37 H 7.85 4.16 0.00 3.28 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.09 3.58 0.00 2.13 2.49 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 39 N 8.45 4.89 0.00 3.08 2.73 0.00 0.00 6.81 6.81 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 40 L 8.84 5.38 0.00 1.50 1.50 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.46 4.89 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 1.02 0.00 0.00 0.93 0.00 0.00 42 L 8.92 5.36 0.00 1.52 1.49 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.50 4.89 0.00 1.60 1.54 0.93 1.17 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 44 D 8.50 4.73 0.00 2.69 2.80 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 0.00 0.00 0.00 45 A 7.94 5.77 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 46 E 8.58 5.16 0.00 1.83 1.74 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 2.27 2.27 0.00 47 E 8.70 3.87 0.00 1.57 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 0.00 1.96 1.62 0.00 48 I 8.23 4.96 1.78 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 1.02 0.80 0.91 0.00 0.00 49 Q 8.71 4.52 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.20 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 50 N 10.02 4.42 0.00 2.79 2.78 0.00 0.00 7.51 7.98 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 51 G 8.54 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 52 E 7.80 4.29 0.00 1.99 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 2.23 2.21 0.00 53 V 8.12 3.98 2.05 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 0.78 0.00 0.00 0.90 0.00 0.00 54 V 8.40 3.85 1.98 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 0.75 0.00 0.00 0.87 0.00 0.00 55 R 6.94 4.48 0.00 1.89 1.68 0.00 3.21 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 56 K 8.80 5.12 0.00 1.66 1.70 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 57 V 8.66 4.46 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 0.82 0.00 0.00 1.14 0.00 0.00 58 G 8.99 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 0.00 0.00 0.00 59 S 7.72 5.20 0.00 3.93 3.81 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 60 V 8.80 4.51 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 0.63 0.00 0.00 0.62 0.00 0.00 61 V 8.27 4.63 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 0.79 0.00 0.00 0.90 0.00 0.00 62 I 8.48 4.32 1.76 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.17 0.83 0.00 0.00 63 R 8.65 4.33 0.00 1.81 1.84 0.00 3.29 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 64 G 10.11 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 65 D 8.20 4.43 0.00 2.67 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 66 T 7.96 4.00 4.37 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 1.21 0.00 0.00 67 V 7.97 3.92 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 0.71 0.00 0.00 0.94 0.00 0.00 68 V 8.44 4.36 1.90 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 0.89 0.00 0.00 0.91 0.00 0.00 69 F 7.26 5.10 0.00 3.07 3.13 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 70 V 8.61 5.20 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 0.89 0.00 0.00 0.96 0.00 0.00 71 S 9.11 4.87 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.71 0.00 2.10 2.10 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 73 A 8.33 4.60 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 74 P 0.00 4.36 0.00 2.19 2.04 0.00 3.81 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 1.98 1.95 0.00