NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2088 8.0244 114.4088 60.8714 38.9799 174.1412 2 V 4.4029 8.0971 123.2470 60.8822 35.3348 171.9896 3 C 5.1110 9.3110 121.8936 55.4371 45.9914 172.7294 4 H 5.9735 8.6420 117.8062 54.1828 31.3369 174.3637 5 T 5.0099 8.3306 110.7258 60.5167 70.4972 174.1794 6 T 4.2804 8.2893 117.5171 62.2297 70.3986 176.1002 7 A 5.0338 8.3463 123.3770 51.6908 19.1436 177.3797 8 T 4.3412 7.6055 107.3015 62.9466 70.0018 174.3014 9 S 4.6057 7.6461 120.0767 56.9080 69.6843 174.1398 10 P 4.4210 0.0000 0.0000 62.1477 31.4028 175.9346 11 I 5.4735 8.5741 123.7083 60.7765 41.0172 174.1537 12 S 4.6192 7.8638 119.0634 57.3891 66.0004 174.4638 13 A 5.3203 8.7371 124.5453 50.8663 18.8076 176.7256 14 V 4.4513 8.0146 114.7106 60.1912 34.8196 176.2116 15 T 4.0565 8.5520 120.9743 64.3726 69.1585 175.3851 16 C 5.1616 8.3833 123.4250 55.7405 41.0423 173.2124 17 P 4.1992 0.0000 0.0000 64.8156 31.7744 175.7379 18 P 4.4018 0.0000 0.0000 61.2201 28.6799 175.0320 19 G 4.2114 7.9529 118.9426 46.5928 0.0000 171.1393 20 E 4.4962 7.9259 118.7960 55.3180 29.7884 177.7153 21 N 4.5028 8.7799 121.4896 54.4048 39.8441 175.1724 22 L 4.3411 7.2456 118.4936 55.8709 45.3259 171.9825 23 C 5.7585 8.4637 116.2555 56.2188 44.5036 172.2995 24 Y 5.7432 8.3270 115.5108 57.3643 41.3805 173.8650 25 R 4.5592 8.6033 122.0070 54.5486 32.4628 175.3793 26 K 4.9303 8.1476 123.0063 55.2202 35.7739 175.1536 27 M 3.9611 7.1452 119.6919 55.9028 36.7180 174.1981 28 W 4.5922 8.1343 124.5105 56.1222 34.1105 176.0414 29 C 4.9964 9.4795 109.9383 55.5787 46.8371 172.7448 30 D 4.6558 8.6594 126.1745 52.4451 41.3975 175.2259 31 A 3.8999 8.7405 120.5680 55.3282 18.2940 178.2821 32 F 4.5036 7.8626 114.6152 55.7478 41.4520 172.7571 33 C 4.0701 9.0800 125.3958 56.8774 35.8503 174.4209 34 S 4.5137 8.3168 120.8119 57.8476 63.3204 175.7010 35 S 4.3841 8.4090 116.5452 60.5364 62.5434 175.7520 36 R 4.1263 7.7922 118.5288 56.6545 30.7893 176.3070 37 G 4.0066 7.7853 103.2568 44.2386 0.0000 172.4131 38 K 4.6020 8.2484 124.6228 56.6950 32.8999 174.1133 39 V 4.5381 7.9818 124.6171 63.6612 34.6138 178.4443 40 V 4.2194 8.2021 112.0241 62.2103 32.5997 173.5237 41 E 5.0121 8.4799 125.6111 53.7873 28.2637 175.9115 42 L 4.7215 7.1285 123.6940 54.4417 45.2749 176.3338 43 G 4.3851 5.4944 106.2931 47.0555 0.0000 170.9346 44 C 5.4606 8.2893 120.7694 55.5000 37.8126 172.4612 45 A 4.4153 8.1441 121.8661 51.9079 22.0610 177.5478 46 A 4.2492 8.6091 122.3671 54.8410 19.1206 178.3058 47 T 4.1263 7.7033 105.3837 61.1826 69.8834 171.9276 48 C 3.9334 8.9689 127.4378 56.4646 39.6474 172.0778 49 P 4.4711 0.0000 0.0000 61.1966 32.6445 173.4850 50 S 3.4811 8.4087 115.9320 58.7781 63.4604 172.6436 51 K 4.4568 7.8097 124.0350 56.0564 33.3183 174.6096 52 K 4.3957 8.2779 117.9502 57.1893 35.2819 175.6752 53 P 3.8791 0.0000 0.0000 63.8173 30.3713 175.5731 54 Y 4.7886 7.3166 112.3828 55.7124 40.4780 175.5902 55 E 4.3363 8.4043 120.9068 57.2654 28.9218 177.6801 56 E 4.4968 8.3331 127.1722 55.1756 27.5139 176.2016 57 V 4.1357 7.5344 120.4811 63.5231 33.5160 175.3099 58 T 4.8318 8.7469 120.2017 62.7187 73.4025 171.6148 59 C 6.0186 8.5979 118.1261 55.1036 46.3607 173.0080 60 C 4.8133 8.1122 109.2948 55.1415 43.8821 173.0182 61 S 5.0820 8.6005 119.7889 55.7318 62.7267 172.7942 62 T 4.2794 7.9042 123.6749 63.1286 73.4468 170.2899 63 D 4.4369 9.0608 123.7699 54.4607 40.7546 177.2922 64 K 4.0194 8.4077 124.3297 56.2818 29.3279 173.9423 65 C 4.8119 7.7635 106.9071 55.7771 42.6030 174.4669 66 N 4.8846 7.9417 116.0319 53.0064 38.8372 173.0379 67 P 4.3508 0.0000 0.0000 62.6148 31.8419 175.3293 68 H 4.8281 8.3176 120.4442 53.1581 31.0141 173.8007 69 P 4.4576 0.0000 0.0000 62.2442 28.8889 175.1134 70 K 4.1156 7.1160 124.1040 58.3724 33.6617 177.8468 71 Q 4.1399 7.6945 123.1902 53.9912 27.6735 174.1448 72 R 3.7789 7.8651 118.1150 55.3671 30.0870 174.0640 73 P 4.4674 0.0000 0.0000 61.2977 33.1357 176.9024 74 G 4.0180 8.7844 106.5847 46.3100 0.0000 173.6501 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 I 8.02 4.21 1.95 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 1.23 1.12 0.93 0.00 0.00 2 V 8.10 4.40 2.02 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 0.94 0.00 0.00 0.91 0.00 0.00 3 C 9.31 5.11 0.00 2.73 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 4 H 8.64 5.97 0.00 3.04 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.33 5.01 4.28 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 1.26 0.00 0.00 6 T 8.29 4.28 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 1.17 0.00 0.00 7 A 8.35 5.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.61 4.34 4.27 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 0.00 0.00 0.00 1.26 0.00 0.00 9 S 7.65 4.61 0.00 3.80 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 10 P 0.00 4.42 0.00 2.11 1.88 0.00 3.97 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 1.92 1.99 0.00 11 I 8.57 5.47 1.88 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 1.11 0.26 0.91 0.00 0.00 12 S 7.86 4.62 0.00 3.86 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 13 A 8.74 5.32 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 14 V 8.01 4.45 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 1.15 0.00 0.00 0.94 0.00 0.00 15 T 8.55 4.06 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 16 C 8.38 5.16 0.00 2.92 3.04 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 0.00 0.00 0.00 0.00 17 P 0.00 4.20 0.00 2.18 2.18 0.00 3.85 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 1.99 1.95 0.00 18 P 0.00 4.40 0.00 2.21 2.14 0.00 3.71 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 2.00 1.97 0.00 19 G 7.95 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 20 E 7.93 4.50 0.00 2.29 2.26 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 2.56 2.36 0.00 21 N 8.78 4.50 0.00 2.73 2.87 0.00 0.00 6.97 7.88 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 22 L 7.25 4.34 0.00 1.73 1.72 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.46 5.76 0.00 2.98 3.20 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 24 Y 8.33 5.74 0.00 3.18 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 25 R 8.60 4.56 0.00 1.71 1.78 0.00 3.04 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 26 K 8.15 4.93 0.00 1.97 0.74 0.00 2.03 0.00 0.00 2.07 0.00 0.00 2.72 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.39 1.45 7.81 27 M 7.15 3.96 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 28 W 8.13 4.59 0.00 3.22 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 29 C 9.48 5.00 0.00 2.93 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 30 D 8.66 4.66 0.00 2.86 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 31 A 8.74 3.90 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 32 F 7.86 4.50 0.00 3.05 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 33 C 9.08 4.07 0.00 3.02 3.17 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 34 S 8.32 4.51 0.00 3.93 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 35 S 8.41 4.38 0.00 3.86 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 36 R 7.79 4.13 0.00 1.80 1.99 0.00 3.23 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 37 G 7.79 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 0.00 0.00 0.00 38 K 8.25 4.60 0.00 1.70 1.86 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.44 7.81 39 V 7.98 4.54 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 0.94 0.00 0.00 1.20 0.00 0.00 40 V 8.20 4.22 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 0.66 0.00 0.00 0.86 0.00 0.00 41 E 8.48 5.01 0.00 1.79 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 0.00 2.33 2.39 0.00 42 L 7.13 4.72 0.00 1.53 1.40 0.92 1.32 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 43 G 5.49 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 0.00 0.00 0.00 0.00 44 C 8.29 5.46 0.00 3.04 3.04 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 0.00 0.00 0.00 0.00 45 A 8.14 4.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.25 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 47 T 7.70 4.13 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 1.20 0.00 0.00 48 C 8.97 3.93 0.00 3.01 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 49 P 0.00 4.47 0.00 2.11 2.02 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 50 S 8.41 3.48 0.00 4.28 3.99 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 0.00 0.00 0.00 0.00 51 K 7.81 4.46 0.00 1.67 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.36 7.81 52 K 8.28 4.40 0.00 1.64 1.72 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.28 7.81 53 P 0.00 3.88 0.00 0.49 1.32 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 Y 7.32 4.79 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 55 E 8.40 4.34 0.00 2.10 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 0.00 2.64 2.67 0.00 56 E 8.33 4.50 0.00 1.96 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 2.33 2.44 0.00 57 V 7.53 4.14 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 0.78 0.00 0.00 1.06 0.00 0.00 58 T 8.75 4.83 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 1.21 0.00 0.00 59 C 8.60 6.02 0.00 2.81 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 C 8.11 4.81 0.00 2.95 3.12 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 0.00 0.00 0.00 0.00 61 S 8.60 5.08 0.00 3.85 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 62 T 7.90 4.28 4.23 0.00 0.00 0.00 0.00 0.00 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 63 D 9.06 4.44 0.00 2.53 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.41 4.02 0.00 1.86 1.94 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.38 7.81 65 C 7.76 4.81 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.88 0.00 2.64 2.86 0.00 0.00 7.09 7.91 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 67 P 0.00 4.35 0.00 2.13 2.03 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 68 H 8.32 4.83 0.00 3.21 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.46 0.00 2.20 2.11 0.00 3.83 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 2.01 1.98 0.00 70 K 7.12 4.12 0.00 1.62 1.60 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.86 0.78 7.81 71 Q 7.69 4.14 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 72 R 7.87 3.78 0.00 1.75 1.93 0.00 3.23 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 73 P 0.00 4.47 0.00 2.20 2.07 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 74 G 8.78 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