NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.8849 8.3549 109.7154 45.6285 0.0000 174.6125 5 H 4.6756 7.6528 117.1649 53.2835 28.0800 175.4035 6 S 4.2204 8.1237 114.7129 60.3719 64.5346 174.1757 7 L 4.4771 7.6709 123.0640 56.5384 43.1473 177.5498 8 Q 3.9049 7.9578 118.9092 59.3360 28.9186 178.0402 9 D 4.4644 8.3097 119.6872 57.1997 40.9956 177.1670 10 P 4.1908 0.0000 0.0000 65.3994 31.3355 178.1795 11 Y 3.9879 8.0732 118.6109 60.7702 38.7891 178.0519 12 L 3.7530 8.1622 120.2261 57.7487 41.4917 179.3102 13 N 4.6253 8.5704 116.8515 56.5343 38.3897 177.7090 14 T 3.8701 8.0001 117.3260 66.5896 68.5673 176.8142 15 L 3.8462 7.6760 120.9041 57.5277 41.6117 179.6991 16 R 4.1012 7.9120 119.9918 59.0382 29.9794 178.7570 17 K 4.0192 8.2725 117.3095 59.0556 32.1470 178.3164 18 E 4.2924 8.1947 116.0581 55.3850 29.8866 176.3302 19 R 3.8188 7.6677 116.7767 56.9284 28.3113 176.3978 20 V 3.7821 7.4306 117.5478 62.1373 32.2178 174.0534 21 P 4.6056 0.0000 0.0000 62.9425 32.6255 175.7395 22 V 4.9306 9.1589 116.4688 59.6971 36.2150 174.4117 23 S 5.1040 9.0996 118.3382 56.9116 65.6271 173.4206 24 I 4.8874 8.6408 125.5124 59.8485 39.5410 174.1844 25 Y 4.7808 9.0697 125.9408 57.0089 39.5524 175.4866 26 L 5.0268 8.7690 123.8910 53.2240 43.8972 178.3219 27 V 3.6397 8.9130 114.6963 63.9231 31.5064 177.1874 28 N 4.6359 8.2119 115.3625 52.5238 37.5762 175.8984 29 G 4.0660 8.3692 108.7360 45.2826 0.0000 174.2885 30 I 3.9332 8.1367 121.2678 61.2097 38.4598 174.9081 31 K 4.4567 8.4645 126.6677 54.6590 33.7894 175.2127 32 L 4.6830 8.6856 127.9611 53.6641 43.9655 175.7336 33 Q 4.8648 9.0110 119.3070 53.6883 32.8174 176.4683 34 G 3.9443 7.2049 107.4294 46.4078 0.0000 170.7377 35 Q 4.9184 7.5372 118.9429 53.9449 31.8614 175.4066 36 I 4.3379 8.2451 123.9006 61.6237 37.6462 176.3219 37 E 4.3139 9.0539 128.0020 58.5432 30.5105 176.6303 38 S 4.5853 7.7677 111.5618 58.0771 65.4574 173.1543 39 F 5.2050 7.5502 113.6255 56.2380 39.7762 173.4227 40 D 4.7124 8.6191 121.1315 52.3071 41.3649 175.6703 41 Q 3.7189 8.8682 117.8266 58.8582 29.2588 178.1440 42 F 5.0222 8.1176 114.8104 57.4567 41.5693 175.1377 43 V 5.0094 8.6990 112.6377 59.4824 36.3316 174.6731 44 I 4.8936 8.6770 122.7612 59.6126 40.6837 174.6969 45 L 4.9176 9.0465 127.3376 53.4930 43.3313 175.2087 46 L 5.0138 8.9056 127.2293 53.1219 44.5896 174.6861 47 K 4.9161 9.0940 128.6383 55.6562 34.1720 173.3271 48 N 5.0497 9.1272 124.6950 53.6899 42.1455 175.4711 49 T 3.9995 9.5065 121.6417 67.1415 68.9999 173.6064 50 V 4.4304 7.4749 111.4392 59.3675 35.1472 174.1901 51 S 4.9890 8.4440 117.0281 57.6282 63.3372 174.3014 52 Q 4.4987 8.8524 124.0359 55.1698 30.8837 174.3654 53 M 4.7212 8.5136 121.3555 54.2453 33.6235 174.8922 54 V 4.4270 8.6841 127.1389 61.2845 34.1547 174.3890 55 Y 4.5998 8.6473 125.6188 57.2688 38.9448 176.8951 56 K 4.1526 9.1526 124.6065 59.4034 32.4394 179.5356 57 T 3.9213 8.2546 107.9478 63.9677 68.8462 174.5188 58 A 4.5216 8.1875 123.4733 51.9207 19.6194 176.1641 59 I 4.6921 7.5295 118.0396 60.3260 38.4907 175.5354 60 S 4.6376 9.1846 120.3056 60.2575 64.2952 174.4939 61 T 4.6819 7.7543 114.0346 60.0678 70.9358 172.0377 62 V 4.7196 8.4627 127.5762 61.2435 33.5386 174.7728 63 V 4.4508 8.9870 128.7104 60.4107 32.1993 173.0645 64 P 4.8335 0.0000 0.0000 62.5641 32.0711 177.7665 65 S 4.3550 8.7832 117.8069 60.2961 63.5483 174.0263 66 R 4.6965 7.4052 114.8326 53.6668 32.4150 172.9639 67 P 4.3791 0.0000 0.0000 62.8296 31.8585 176.3224 68 V 4.3102 7.9809 120.4278 60.8977 34.4550 174.9335 69 R 4.2659 8.4130 126.5711 54.6176 29.8890 175.8148 70 L 4.1514 8.4782 128.0476 54.7780 42.6524 174.6541 71 P 4.5642 0.0000 0.0000 61.7133 32.8655 176.0596 72 S 3.6910 8.5386 116.4366 57.8102 62.1774 170.7195 73 G 4.0293 8.5590 106.4723 45.9850 0.0000 173.4430 74 D 4.2390 7.8619 121.6098 53.6685 38.9204 175.2825 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 4 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.65 4.68 0.00 3.58 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.12 4.22 0.00 4.03 4.01 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 0.00 0.00 0.00 7 L 7.67 4.48 0.00 1.74 1.63 0.92 0.51 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 8 Q 7.96 3.90 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 9 D 8.31 4.46 0.00 2.95 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 10 P 0.00 4.19 0.00 2.22 2.22 0.00 3.72 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 2.29 2.23 0.00 11 Y 8.07 3.99 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.75 0.00 0.64 0.45 0.35 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.57 4.63 0.00 2.96 2.96 0.00 0.00 7.02 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 14 T 8.00 3.87 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 1.14 0.00 0.00 15 L 7.68 3.85 0.00 1.67 1.59 0.63 0.48 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 16 R 7.91 4.10 0.00 2.11 2.19 0.00 3.32 0.00 0.00 3.43 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 17 K 8.27 4.02 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 18 E 8.19 4.29 0.00 1.96 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 2.28 2.49 0.00 19 R 7.67 3.82 0.00 1.98 2.00 0.00 3.16 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 20 V 7.43 3.78 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 0.70 0.00 0.00 0.88 0.00 0.00 21 P 0.00 4.61 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.16 4.93 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 0.91 0.00 0.00 1.00 0.00 0.00 23 S 9.10 5.10 0.00 3.78 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.64 4.89 1.84 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 1.24 0.76 0.93 0.00 0.00 25 Y 9.07 4.78 0.00 2.99 2.92 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 26 L 8.77 5.03 0.00 1.80 1.69 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.91 3.64 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 0.71 0.00 0.00 0.96 0.00 0.00 28 N 8.21 4.64 0.00 2.82 2.93 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.37 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.93 2.01 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 1.12 0.75 0.89 0.00 0.00 31 K 8.46 4.46 0.00 1.34 1.49 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.97 0.44 7.81 32 L 8.69 4.68 0.00 1.54 1.51 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.01 4.86 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 34 G 7.20 3.94 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 0.00 0.00 0.00 35 Q 7.54 4.92 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 36 I 8.25 4.34 1.87 0.00 0.00 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 1.34 0.98 1.00 0.00 0.00 37 E 9.05 4.31 0.00 2.03 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 2.31 2.26 0.00 38 S 7.77 4.59 0.00 3.86 3.90 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 0.00 0.00 0.00 0.00 39 F 7.55 5.20 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.71 0.00 2.84 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 41 Q 8.87 3.72 0.00 1.78 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 42 F 8.12 5.02 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.70 5.01 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 0.21 0.00 0.00 0.96 0.00 0.00 44 I 8.68 4.89 1.88 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 1.27 0.74 0.94 0.00 0.00 45 L 9.05 4.92 0.00 1.70 1.60 0.91 0.21 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 46 L 8.91 5.01 0.00 1.72 1.50 0.90 0.60 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 47 K 9.09 4.92 0.00 1.93 1.64 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 48 N 9.13 5.05 0.00 2.69 2.13 0.00 0.00 7.04 7.62 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 49 T 9.51 4.00 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 50 V 7.47 4.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 51 S 8.44 4.99 0.00 3.74 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 52 Q 8.85 4.50 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 53 M 8.51 4.72 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 54 V 8.68 4.43 2.08 0.00 0.00 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 0.94 0.00 0.00 55 Y 8.65 4.60 0.00 3.12 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 56 K 9.15 4.15 0.00 1.93 1.91 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.55 7.81 57 T 8.25 3.92 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 58 A 8.19 4.52 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.53 4.69 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.98 0.00 0.00 60 S 9.18 4.64 0.00 3.83 4.01 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 0.00 0.00 0.00 61 T 7.75 4.68 4.22 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 1.20 0.00 0.00 62 V 8.46 4.72 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 0.92 0.00 0.00 0.97 0.00 0.00 63 V 8.99 4.45 2.27 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 1.01 0.00 0.00 1.09 0.00 0.00 64 P 0.00 4.83 0.00 2.30 1.91 0.00 3.74 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 65 S 8.78 4.36 0.00 3.90 4.02 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 66 R 7.41 4.70 0.00 1.92 1.89 0.00 3.07 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 1.51 1.58 0.00 67 P 0.00 4.38 0.00 2.07 2.04 0.00 3.62 0.00 0.00 3.59 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 68 V 7.98 4.31 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 0.71 0.00 0.00 0.93 0.00 0.00 69 R 8.41 4.27 0.00 1.81 1.84 0.00 3.30 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 70 L 8.48 4.15 0.00 1.70 1.60 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.56 0.00 2.27 2.14 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.07 0.00 72 S 8.54 3.69 0.00 4.06 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 73 G 8.56 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.86 4.24 0.00 2.80 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