NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4415 8.1633 120.3517 56.0313 34.1661 177.3169 2 T 3.8629 7.6695 115.2299 66.3185 68.5289 175.0786 3 I 3.7698 7.9560 121.2123 64.4766 37.5337 177.7551 4 L 4.0258 8.0230 120.6403 58.1092 41.7498 178.8223 5 F 4.3073 8.4793 120.8981 61.4937 39.4371 177.4332 6 Q 3.6359 8.7671 117.7440 58.4371 28.2731 178.7113 7 L 3.8915 8.3116 120.7218 57.5870 41.7258 178.9645 8 A 3.9645 7.6880 120.3042 55.2558 18.1344 179.4902 9 L 3.6659 7.5251 117.2345 58.1801 42.3267 178.7479 10 A 4.0526 8.0073 120.6193 54.9634 18.2214 179.5150 11 A 3.9135 8.7475 120.4291 55.1759 17.9680 179.4819 12 L 3.8985 8.0616 118.8176 57.9934 41.8537 179.6063 13 V 3.7220 7.4760 117.9949 66.1062 31.5794 178.1000 14 I 3.7937 7.7363 119.0288 64.1789 36.4147 178.0721 15 L 4.0102 8.4194 121.7726 58.1166 41.8449 179.1780 16 S 4.2491 7.9650 114.2678 61.5927 62.9936 176.2076 17 F 4.0227 8.6062 123.6579 61.4768 39.0785 177.3912 18 V 3.7399 8.2818 117.7958 66.3142 31.3607 177.8312 19 M 3.9734 9.2637 119.0595 58.3798 31.5610 178.9072 20 V 3.4343 8.2771 118.2338 66.1227 31.7494 177.8960 21 I 3.9970 7.7413 118.7393 64.2754 36.9526 177.2858 22 G 3.6961 8.4123 108.2501 45.4670 0.0000 176.1927 23 V 3.0495 7.7953 118.9348 65.1654 32.1975 176.0428 24 P 4.1149 0.0000 0.0000 65.0878 30.9733 178.2128 25 V 3.5909 7.6566 113.5071 65.2195 31.6862 177.6679 26 A 4.0857 7.7188 120.6644 54.9653 18.1598 178.7206 27 Y 3.7333 7.5046 117.0001 60.5610 38.2192 177.2091 28 A 3.8350 8.0969 123.0730 54.6526 19.0316 177.3599 29 S 4.5128 8.0644 113.9457 56.3470 63.6498 174.4895 30 P 5.0031 0.0000 0.0000 63.0910 30.3528 178.1199 31 Q 4.2115 8.6969 115.3919 55.9764 28.8520 177.1512 32 D 4.8659 8.8544 125.8421 51.0023 40.8129 176.7807 33 W 4.0767 9.0726 111.5150 56.4408 28.6284 175.1942 34 D 4.8248 8.0228 118.1748 55.4256 40.5700 178.2290 35 R 4.0620 7.9213 116.0628 58.1006 30.3298 177.9437 36 S 4.3412 8.1276 112.1286 59.6744 62.5347 175.4565 37 K 4.3439 8.0956 121.6093 58.6753 31.9175 177.9326 38 Q 4.1725 7.7157 119.6707 59.2517 29.2404 177.1068 39 L 3.9941 7.8670 119.3963 58.0230 41.7465 179.1405 40 I 3.6413 8.3174 119.7675 64.6786 37.0904 178.1192 41 F 4.1023 7.8995 120.3710 61.4851 39.1071 177.2395 42 L 3.9102 8.1451 118.6231 57.3987 41.3197 179.7685 43 G 3.5423 8.2265 106.0068 47.8746 0.0000 175.8220 44 S 4.1622 8.4297 118.5202 61.1157 62.3829 176.7778 45 G 3.4925 7.7150 108.2457 47.8170 0.0000 174.7965 46 L 3.9421 7.9310 123.5497 57.6788 42.0035 178.4803 47 W 4.3210 8.4922 128.2423 60.9526 30.5086 177.6234 48 I 3.5735 7.8628 118.9989 64.4218 36.6467 178.1303 49 A 3.9459 7.6223 120.4184 55.2122 18.2568 179.3040 50 L 3.8091 7.7124 117.4391 58.2077 41.7470 180.0742 51 V 3.3366 7.4490 117.6489 66.0242 31.4047 178.1011 52 L 4.1230 7.9230 118.6802 57.4806 41.3457 179.6965 53 V 3.5863 8.2157 118.7614 66.1403 31.5923 178.2869 54 V 4.0548 8.4220 118.4944 66.4737 31.0854 177.3554 55 G 3.7219 8.5235 105.0422 48.0197 0.0000 175.1474 56 V 3.8022 8.3834 119.7393 65.2227 31.7429 178.4146 57 L 4.4362 8.6634 119.9071 57.5079 41.9031 178.4086 58 N 3.6094 8.0124 117.5304 56.4880 38.6988 176.3047 59 F 3.9334 7.4390 115.0191 58.9309 38.9060 176.2699 60 F 4.8221 7.3910 116.8667 58.1055 39.9440 177.6439 61 V 3.8418 7.3542 116.5882 64.7337 31.8901 175.8877 62 V 3.8966 7.1995 114.8283 61.3226 31.7479 175.5375 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 2.11 2.08 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 2 T 7.67 3.86 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 1.30 0.00 0.00 3 I 7.96 3.77 1.89 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 1.54 0.62 0.92 0.00 0.00 4 L 8.02 4.03 0.00 1.78 1.87 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.48 4.31 0.00 3.23 3.26 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 6 Q 8.77 3.64 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 7 L 8.31 3.89 0.00 1.79 1.68 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.69 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.67 0.00 0.95 1.23 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.01 4.05 1.31 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 0.00 0.00 0.00 11 A 8.75 3.91 1.30 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 0.00 0.00 0.00 12 L 8.06 3.90 0.00 1.75 1.83 0.59 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.48 3.72 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 1.13 0.00 0.00 0.98 0.00 0.00 14 I 7.74 3.79 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 1.50 0.80 0.82 0.00 0.00 15 L 8.42 4.01 0.00 1.81 1.81 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.97 4.25 0.00 4.30 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 17 F 8.61 4.02 0.00 3.23 3.14 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 0.00 0.00 0.00 0.00 18 V 8.28 3.74 2.32 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 1.00 0.00 0.00 1.06 0.00 0.00 19 M 9.26 3.97 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 20 V 8.28 3.43 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 0.66 0.00 0.00 0.82 0.00 0.00 21 I 7.74 4.00 1.92 0.00 0.00 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 1.36 0.81 0.92 0.00 0.00 22 G 8.41 3.70 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 0.00 0.00 0.00 23 V 7.80 3.05 1.85 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 0.52 0.00 0.00 0.75 0.00 0.00 24 P 0.00 4.11 0.00 2.11 1.88 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 25 V 7.66 3.59 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 0.92 0.00 0.00 0.96 0.00 0.00 26 A 7.72 4.09 1.03 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 27 Y 7.50 3.73 0.00 2.72 2.31 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 0.00 28 A 8.10 3.84 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 29 S 8.06 4.51 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 30 P 0.00 5.00 0.00 2.23 1.98 0.00 3.72 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.75 0.00 31 Q 8.70 4.21 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 32 D 8.85 4.87 0.00 3.16 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 W 9.07 4.08 0.00 3.47 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.82 0.00 2.68 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 35 R 7.92 4.06 0.00 2.04 2.23 0.00 2.98 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 36 S 8.13 4.34 0.00 4.12 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 37 K 8.10 4.34 0.00 2.36 2.11 0.00 2.00 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.69 7.81 38 Q 7.72 4.17 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 39 L 7.87 3.99 0.00 1.84 1.73 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.32 3.64 2.03 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.92 0.00 0.00 41 F 7.90 4.10 0.00 3.47 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.91 0.00 1.98 1.74 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.23 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.43 4.16 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 45 G 7.72 3.49 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 46 L 7.93 3.94 0.00 1.85 2.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.49 4.32 0.00 3.54 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.57 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.93 0.00 0.00 49 A 7.62 3.95 1.37 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 0.00 0.00 0.00 50 L 7.71 3.81 0.00 1.73 1.56 0.93 0.87 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 51 V 7.45 3.34 1.87 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 0.81 0.00 0.00 -0.14 0.00 0.00 52 L 7.92 4.12 0.00 1.90 1.69 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.22 3.59 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 1.02 0.00 0.00 0.97 0.00 0.00 54 V 8.42 4.05 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 1.09 0.00 0.00 0.91 0.00 0.00 55 G 8.52 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.80 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 1.09 0.00 0.00 0.97 0.00 0.00 57 L 8.66 4.44 0.00 2.09 1.98 1.16 0.80 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 58 N 8.01 3.61 0.00 2.70 2.85 0.00 0.00 7.03 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.44 3.93 0.00 2.71 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 60 F 7.39 4.82 0.00 3.07 2.98 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 61 V 7.35 3.84 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 0.85 0.00 0.00 0.40 0.00 0.00 62 V 7.20 3.90 1.92 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 0.65 0.00 0.00 0.73 0.00 0.00