NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3018 8.1744 110.9446 61.3684 70.3874 173.6329 6 N 4.5791 8.0471 118.5567 53.1413 39.2417 173.2982 7 S 4.4039 8.6713 114.1157 59.0605 64.6822 172.9026 8 D 4.8519 8.6135 121.6382 55.0317 41.8533 175.4216 9 F 5.2758 7.9282 113.6011 55.5550 41.3173 174.0153 10 V 4.5440 8.8642 113.2360 59.6147 35.1528 174.6938 11 V 4.8340 8.5354 123.6480 61.3394 33.8839 174.4036 12 I 4.9566 9.3451 128.9336 59.3714 40.4548 174.1618 13 K 5.0358 9.0741 128.9928 54.2353 34.3577 175.0390 14 A 4.3911 8.7588 130.6391 52.3478 18.9913 177.4166 15 L 4.6805 9.1811 122.7474 54.7885 42.5618 175.9740 16 E 4.6785 7.6995 115.6494 54.6858 32.5405 174.3465 17 D 4.4626 8.3455 119.0810 55.6598 41.2855 176.7249 18 G 3.8298 8.4082 108.7689 46.0645 0.0000 173.7684 19 V 3.9016 7.6820 120.2357 62.6356 32.8124 174.4598 20 N 5.1597 9.1735 125.6870 51.6151 40.9960 173.8464 21 V 4.4634 8.8524 125.2967 61.5033 33.2890 174.3162 22 I 4.6779 8.7359 130.3361 59.4147 39.4588 175.1083 23 G 4.1951 8.9126 115.3479 45.1787 0.0000 172.3873 24 L 5.5383 8.8553 125.6067 52.9819 44.1219 176.2554 25 T 4.4683 8.7944 114.5888 61.8455 69.2460 174.1608 26 R 4.4292 7.8770 126.4626 56.4504 30.9031 175.5768 27 G 3.7639 8.7487 110.4859 43.9318 0.0000 172.8885 28 A 4.0878 8.5617 121.8346 54.4183 18.6231 177.8791 29 D 4.8620 7.8124 114.1157 53.0508 42.7346 175.9573 30 T 4.7276 8.2908 118.8934 61.9640 70.8635 173.2797 31 R 4.4986 8.8038 122.2215 54.4308 33.8104 174.0604 32 F 5.3241 8.2649 118.8024 57.8935 39.0105 175.4092 33 H 4.9566 9.0785 118.7677 56.3406 30.2951 174.2578 34 H 4.7678 7.7082 117.5762 55.0235 33.3174 171.9228 35 S 4.8612 8.2459 119.4153 56.4314 64.7056 172.4109 36 E 4.4519 9.2015 129.6011 54.8222 30.8860 174.7821 37 K 4.8007 8.6133 127.1186 55.6908 33.4243 176.1345 38 L 4.9261 9.3202 125.5515 53.1362 44.5816 175.9672 39 D 5.0459 9.0529 123.1712 52.0965 43.7011 175.9334 40 K 4.1313 8.6774 121.5459 58.6889 32.2569 176.9795 41 G 4.0178 9.3259 115.7536 45.1452 0.0000 173.5090 42 E 4.2461 8.0732 119.4670 56.3087 30.8531 176.0466 43 V 4.9157 8.2653 121.7250 61.0400 34.2691 174.1779 44 L 4.7349 9.2225 129.9904 53.2680 44.6676 174.8352 45 I 4.8802 8.4776 126.4031 59.6370 39.2694 174.6714 46 A 4.7154 9.0935 129.6659 50.0508 21.6760 175.4063 47 Q 4.7454 8.6782 121.3161 55.2349 30.2101 175.9174 48 F 4.7887 8.3483 120.6766 57.9500 39.6559 175.0474 49 T 4.7398 9.0635 111.5657 59.8302 72.0383 173.9839 50 E 3.6723 8.9121 121.5013 59.1859 29.5843 177.1212 51 H 4.6463 7.9670 113.9097 55.7939 30.4662 173.8395 52 T 5.5897 8.5772 116.6604 61.0523 70.8242 174.6034 53 S 4.9854 8.9167 119.9278 58.0096 64.8660 173.2447 54 A 5.1450 7.8400 121.0606 51.3223 22.5361 175.3067 55 I 4.9828 8.5312 120.5024 59.4372 40.9006 174.6014 56 K 4.5676 9.0851 128.6469 54.5048 34.5949 174.6536 57 V 4.7871 8.3770 126.7907 61.0501 33.6545 174.3420 58 R 4.4574 8.9928 128.4633 55.4465 32.6603 174.7473 59 G 3.9234 9.0069 111.3643 43.7383 0.0000 172.4942 60 K 4.4931 9.5299 120.6287 56.2169 32.7734 175.6266 61 A 5.1432 8.7541 128.1717 50.6030 23.4174 173.5614 62 Y 4.8054 9.0472 121.5434 56.1030 40.8670 174.5561 63 I 5.0137 8.3101 127.2750 59.5279 40.9277 174.3506 64 Q 5.0505 8.9448 125.4649 54.3268 31.8474 174.8675 65 T 4.8067 8.6220 112.9538 59.3632 72.4397 174.5257 66 R 3.6736 8.5624 120.7665 59.5423 29.7673 176.4079 67 H 4.6629 7.9070 112.4001 55.0719 29.5337 173.6626 68 G 3.7529 7.4280 105.9304 43.9803 0.0000 172.5862 69 V 4.3521 8.1022 119.6785 61.9995 32.7157 176.5939 70 I 4.6733 8.4918 126.4122 59.3682 42.0515 173.2202 71 E 5.1329 8.6057 125.9406 54.5035 32.2250 175.9093 72 S 4.6454 8.5472 118.8910 57.7422 65.2639 172.8801 73 E 4.8674 8.5443 120.0219 54.6040 32.6065 176.4937 74 G 3.7517 8.6218 112.5855 45.2191 0.0000 173.5304 75 K 4.1570 8.4894 119.2170 56.8260 33.0327 175.3624 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 5 T 8.17 4.30 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 1.23 0.00 0.00 6 N 8.05 4.58 0.00 2.80 2.88 0.00 0.00 7.14 6.75 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 7 S 8.67 4.40 0.00 4.09 3.97 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 0.00 0.00 0.00 8 D 8.61 4.85 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 9 F 7.93 5.28 0.00 3.01 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 10 V 8.86 4.54 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 0.52 0.00 0.00 0.80 0.00 0.00 11 V 8.54 4.83 2.16 0.00 0.00 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 1.17 0.00 0.00 12 I 9.35 4.96 1.87 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 1.09 0.51 0.91 0.00 0.00 13 K 9.07 5.04 0.00 1.87 1.77 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.76 4.39 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.18 4.68 0.00 1.63 1.73 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.68 0.00 2.02 1.89 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 2.18 2.33 0.00 17 D 8.35 4.46 0.00 2.69 2.64 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 18 G 8.41 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 0.00 0.00 0.00 19 V 7.68 3.90 2.07 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 0.91 0.00 0.00 0.96 0.00 0.00 20 N 9.17 5.16 0.00 2.56 2.60 0.00 0.00 6.23 7.50 0.00 0.00 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 V 8.85 4.46 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 0.81 0.00 0.00 0.90 0.00 0.00 22 I 8.74 4.68 1.53 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.43 -0.07 0.00 0.00 23 G 8.91 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.86 5.54 0.00 1.94 1.72 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.47 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 1.37 0.00 0.00 26 R 7.88 4.43 0.00 1.90 1.98 0.00 3.22 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.75 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 28 A 8.56 4.09 1.29 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 0.00 0.00 0.00 29 D 7.81 4.86 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.73 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 1.24 0.00 0.00 31 R 8.80 4.50 0.00 1.77 1.86 0.00 2.75 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 32 F 8.26 5.32 0.00 2.96 2.86 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 33 H 9.08 4.96 0.00 3.16 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.71 4.77 0.00 3.29 3.08 0.00 5.80 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 35 S 8.25 4.86 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.20 4.45 0.00 2.13 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 2.25 2.33 0.00 37 K 8.61 4.80 0.00 1.66 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.58 1.42 7.81 38 L 9.32 4.93 0.00 1.52 1.54 0.92 1.07 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 39 D 9.05 5.05 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 4.13 0.00 1.78 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 41 G 9.33 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 0.00 0.00 0.00 42 E 8.07 4.25 0.00 2.04 1.88 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 2.32 2.37 0.00 43 V 8.27 4.92 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.22 4.73 0.00 1.72 1.47 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.88 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 1.27 0.66 0.74 0.00 0.00 46 A 9.09 4.72 1.13 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 47 Q 8.68 4.75 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 48 F 8.35 4.79 0.00 3.04 2.95 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 49 T 9.06 4.74 4.31 0.00 0.00 0.00 0.00 0.00 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 50 E 8.91 3.67 0.00 1.94 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 0.00 2.02 2.28 0.00 51 H 7.97 4.65 0.00 3.24 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.58 5.59 4.38 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 1.38 0.00 0.00 53 S 8.92 4.99 0.00 3.83 4.08 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 54 A 7.84 5.14 1.32 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 0.00 0.00 0.00 55 I 8.53 4.98 1.86 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.85 0.00 0.00 56 K 9.09 4.57 0.00 1.77 1.44 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.38 4.79 2.06 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 8.99 4.46 0.00 1.81 1.67 0.00 3.08 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 59 G 9.01 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 K 9.53 4.49 0.00 1.82 1.73 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.75 5.14 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 62 Y 9.05 4.81 0.00 3.05 2.84 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 0.00 0.00 0.00 0.00 63 I 8.31 5.01 1.90 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 1.20 0.63 0.89 0.00 0.00 64 Q 8.94 5.05 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 T 8.62 4.81 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 1.16 0.00 0.00 66 R 8.56 3.67 0.00 1.58 1.75 0.00 3.17 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 67 H 7.91 4.66 0.00 3.18 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.43 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 0.00 0.00 0.00 69 V 8.10 4.35 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.87 0.00 0.00 70 I 8.49 4.67 1.81 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 1.19 1.38 0.84 0.00 0.00 71 E 8.61 5.13 0.00 1.84 1.83 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 2.49 2.22 0.00 72 S 8.55 4.65 0.00 3.91 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 E 8.54 4.87 0.00 1.83 1.86 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 2.20 2.28 0.00 74 G 8.62 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 0.00 0.00 0.00 75 K 8.49 4.16 0.00 1.90 1.82 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.36 7.81