NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3920 0.0000 0.0000 63.0194 34.2298 177.4660 2 G 3.7008 8.9513 110.0799 44.2521 0.0000 175.7874 3 S 4.3894 9.6528 125.7814 57.9153 62.6988 171.8555 4 M 4.0896 8.4309 125.8791 57.6618 32.1351 177.0789 5 T 4.3317 7.6844 115.4369 62.1173 68.7061 174.5448 6 V 4.0436 8.0616 120.3665 60.6720 31.4521 176.6500 7 T 4.2322 8.2130 119.8375 63.9137 69.5271 174.5170 8 Q 3.8048 8.7577 119.3470 57.0627 26.6785 176.4171 9 S 4.1306 7.5556 115.5177 61.9041 62.7386 175.8714 10 Q 4.1287 8.0349 121.0700 58.4341 28.5089 178.6062 11 L 3.9788 7.7211 119.6535 57.6772 41.7839 178.7535 12 E 3.9057 8.2820 119.2373 59.3435 29.5717 178.5786 13 L 3.9377 8.3742 120.6193 57.9507 42.0604 178.6181 14 L 3.9302 8.2399 120.5428 58.4809 42.1271 179.1616 15 I 3.9051 7.6868 119.2279 64.2355 36.5841 178.4269 16 R 4.0247 8.3114 119.8608 59.4256 29.6783 178.2048 17 N 4.4393 8.2682 115.1865 55.5404 38.7828 177.2028 18 A 4.1467 8.1394 121.9442 53.4895 18.9852 177.5282 19 F 4.7112 8.5496 119.6954 54.7645 40.3423 174.2343 20 P 4.5247 0.0000 0.0000 64.7002 31.2590 177.2112 21 E 4.4621 8.2805 116.2339 55.9515 29.5561 174.7293 22 A 4.8337 7.8825 121.6046 50.4481 20.7888 176.9102 23 E 4.3908 9.3484 124.4918 54.8358 31.2079 175.1062 24 I 4.4203 8.4172 129.0225 60.9331 38.0607 175.3822 25 T 4.5690 8.8557 125.3429 61.6528 70.8433 174.2831 26 V 4.0918 8.4099 120.4547 61.1928 32.6937 176.0440 27 T 4.4457 9.1259 124.4176 62.4871 69.3508 173.9559 28 S 5.1547 8.4100 122.1090 56.2057 64.6147 174.2222 29 L 4.1841 8.9558 125.5768 54.3484 42.0507 178.1569 30 V 3.8315 8.2318 123.4365 61.9122 29.4533 172.4420 31 G 4.0337 8.1956 118.0110 44.3878 0.0000 170.5381 32 D 5.4789 8.0658 127.6190 53.3284 38.8865 174.8154 33 N 4.8770 7.8799 115.8627 54.3450 44.5606 175.2285 34 N 4.6022 7.1922 113.3059 52.1217 39.8760 174.8110 35 H 4.0303 8.1422 117.0952 55.8984 29.8767 174.3561 36 Y 4.9155 7.9544 118.9269 56.7799 40.2427 175.7565 37 S 5.0404 8.9893 120.0104 57.6582 65.7473 172.6547 38 I 4.7024 8.6017 121.6419 59.1432 40.5268 173.8663 39 K 4.8903 9.4165 131.4049 54.8437 34.1927 175.0217 40 V 4.2955 8.7239 129.4261 61.7956 32.7020 174.8973 41 I 4.4362 8.6764 131.4657 59.9383 37.6623 174.5340 42 S 5.1127 8.2346 121.1669 56.1772 65.6464 174.8984 43 S 4.2313 8.9835 120.9746 60.9567 63.0667 176.3036 44 Q 3.9108 7.7072 119.3576 58.1267 28.7515 176.9504 45 F 4.5628 8.1111 115.1875 57.1480 39.7899 175.1566 46 Q 4.2541 7.7508 123.1384 56.6047 29.5679 174.6549 47 G 4.1243 8.9330 112.4083 45.5571 0.0000 174.2301 48 K 4.3389 7.0990 117.3846 56.1376 32.6970 177.8130 49 S 4.4745 9.5057 119.9541 57.5866 64.9718 175.7317 50 K 3.7573 8.5110 122.5186 60.3095 31.9372 179.1958 51 L 4.0328 7.7988 119.4625 57.6311 41.5692 179.0760 52 E 4.0019 8.1224 117.9613 59.5786 29.3080 179.2751 53 Q 4.1210 8.3003 118.1638 59.2892 28.7236 178.5522 54 H 4.1906 8.6003 117.4575 59.0422 28.7175 178.0202 55 R 4.2648 8.3111 119.8001 59.7869 29.8849 179.1230 56 M 4.1959 8.4486 118.6754 58.3245 31.9406 178.8808 57 I 3.7089 8.1920 120.5501 64.6623 37.1289 178.0634 58 Y 4.4900 7.9691 117.5416 60.8518 37.3589 178.8796 59 K 4.0573 8.1487 119.3083 59.5807 32.3581 179.4818 60 V 3.9138 8.0069 118.2860 63.9563 31.9247 177.3655 61 L 4.7441 8.4130 119.7938 54.1497 42.8133 177.9216 62 D 4.8474 7.7874 118.9978 55.9893 41.4985 177.0868 63 G 3.8165 8.0284 106.5072 47.5957 0.0000 173.4956 64 L 4.7723 7.7901 118.6475 52.8741 45.4382 176.7376 65 N 4.5937 8.6141 119.5449 52.6027 37.1218 174.8107 66 I 3.9750 8.3279 123.5499 61.6352 36.0136 175.3538 67 H 4.9572 8.6765 120.8241 54.9089 29.8416 173.6716 68 A 4.6494 7.6099 120.6752 50.1338 21.8743 177.2696 69 I 3.9631 8.2211 121.5486 61.3240 36.5066 175.1105 70 Q 4.3566 8.5469 125.4244 56.4756 32.2946 174.4016 71 I 4.7764 7.7477 118.4302 59.1980 40.0495 174.5669 72 Q 4.5930 9.1486 129.0488 54.5406 30.9535 175.4091 73 T 4.4082 8.2446 120.4245 61.6621 70.9996 176.0436 74 G 3.8029 7.9566 111.1565 46.6240 0.0000 171.2225 75 C 4.5201 8.1369 124.5748 58.0725 32.3030 173.4474 76 K 4.1471 8.5621 127.2880 56.4906 31.8649 175.4905 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 P 0.00 4.39 0.00 2.19 2.13 0.00 3.70 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 1.88 1.97 0.00 2 G 8.95 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 3 S 9.65 4.39 0.00 3.86 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 4 M 8.43 4.09 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 5 T 7.68 4.33 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 6 V 8.06 4.04 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 0.79 0.00 0.00 0.93 0.00 0.00 7 T 8.21 4.23 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 1.22 0.00 0.00 8 Q 8.76 3.80 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 9 S 7.56 4.13 0.00 4.13 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 10 Q 8.03 4.13 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 11 L 7.72 3.98 0.00 1.88 1.73 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.28 3.91 0.00 2.15 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 2.32 2.47 0.00 13 L 8.37 3.94 0.00 1.74 1.78 0.92 0.58 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 14 L 8.24 3.93 0.00 1.94 1.83 0.92 1.01 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 15 I 7.69 3.91 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.63 1.11 0.00 0.00 16 R 8.31 4.02 0.00 2.26 2.08 0.00 3.16 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 17 N 8.27 4.44 0.00 2.83 2.83 0.00 0.00 7.32 7.18 0.00 0.00 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 A 8.14 4.15 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.55 4.71 0.00 3.04 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 20 P 0.00 4.52 0.00 2.20 2.21 0.00 3.43 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 21 E 8.28 4.46 0.00 2.29 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 0.00 2.28 2.33 0.00 22 A 7.88 4.83 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.35 4.39 0.00 2.08 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 2.24 2.32 0.00 24 I 8.42 4.42 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.60 0.93 0.00 0.00 25 T 8.86 4.57 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 1.20 0.00 0.00 26 V 8.41 4.09 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 0.77 0.00 0.00 0.90 0.00 0.00 27 T 9.13 4.45 4.36 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 1.23 0.00 0.00 28 S 8.41 5.15 0.00 3.63 3.61 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 29 L 8.96 4.18 0.00 1.74 1.70 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.23 3.83 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 0.74 0.00 0.00 0.94 0.00 0.00 31 G 8.20 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 32 D 8.07 5.48 0.00 2.73 2.72 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 33 N 7.88 4.88 0.00 2.61 2.73 0.00 0.00 7.23 8.00 0.00 0.00 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 N 7.19 4.60 0.00 2.46 2.61 0.00 0.00 7.05 7.99 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 35 H 8.14 4.03 0.00 3.01 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.95 4.92 0.00 2.95 2.97 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 37 S 8.99 5.04 0.00 3.79 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 38 I 8.60 4.70 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.36 0.96 0.00 0.00 39 K 9.42 4.89 0.00 1.79 1.72 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.39 7.81 40 V 8.72 4.30 1.76 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 0.87 0.00 0.00 0.86 0.00 0.00 41 I 8.68 4.44 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 0.94 0.91 0.00 0.00 42 S 8.23 5.11 0.00 3.89 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 43 S 8.98 4.23 0.00 4.04 4.12 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 44 Q 7.71 3.91 0.00 1.55 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 45 F 8.11 4.56 0.00 3.12 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 46 Q 7.75 4.25 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.45 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 47 G 8.93 4.12 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 0.00 0.00 0.00 48 K 7.10 4.34 0.00 2.04 1.79 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.56 7.81 49 S 9.51 4.47 0.00 3.82 3.79 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 0.00 0.00 0.00 0.00 50 K 8.51 3.76 0.00 1.77 2.01 0.00 1.53 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.53 7.81 51 L 7.80 4.03 0.00 1.70 1.80 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.12 4.00 0.00 2.18 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 0.00 2.42 2.42 0.00 53 Q 8.30 4.12 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 54 H 8.60 4.19 0.00 3.35 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.31 4.26 0.00 2.13 2.09 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 56 M 8.45 4.20 0.00 2.27 2.52 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.99 0.00 57 I 8.19 3.71 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.72 0.00 0.00 58 Y 7.97 4.49 0.00 3.27 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 59 K 8.15 4.06 0.00 2.00 1.96 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.80 1.67 7.81 60 V 8.01 3.91 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 0.98 0.00 0.00 1.06 0.00 0.00 61 L 8.41 4.74 0.00 1.83 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.79 4.85 0.00 2.97 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 63 G 8.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.79 4.77 0.00 1.62 1.55 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.61 4.59 0.00 2.79 2.92 0.00 0.00 7.01 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.33 3.98 1.55 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.65 0.76 0.00 0.00 67 H 8.68 4.96 0.00 3.13 3.26 0.00 5.64 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 A 7.61 4.65 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.96 1.85 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 1.28 0.83 0.89 0.00 0.00 70 Q 8.55 4.36 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 71 I 7.75 4.78 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.82 0.00 0.00 72 Q 9.15 4.59 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.45 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 73 T 8.24 4.41 3.93 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 0.12 0.00 0.00 74 G 7.96 3.80 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 0.00 0.00 0.00 75 C 8.14 4.52 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.56 4.15 0.00 1.73 1.64 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.39 7.81