NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4653 0.0000 0.0000 62.9860 33.5937 174.3268 2 H 5.2286 8.7371 120.1850 54.0547 32.0186 171.2848 3 I 4.4580 8.8415 127.2024 59.4037 40.3193 173.4917 4 D 5.2207 8.6465 126.0295 52.5018 43.5007 174.7567 5 I 4.4568 8.9553 127.6279 59.6775 39.2719 174.6497 6 K 5.3083 8.7492 127.0266 54.8070 34.1431 175.3624 7 C 4.5001 8.7925 118.5677 56.5714 33.7292 173.2992 8 F 5.5784 7.8597 117.5212 55.9283 39.5463 173.9449 9 P 4.7948 0.0000 0.0000 63.3245 31.4853 176.1966 10 R 4.6393 8.8882 119.1047 54.8084 32.4867 174.3201 11 E 4.2411 8.5561 119.2779 55.7575 30.2258 176.4545 12 L 4.6511 8.2044 125.4498 52.9128 44.8550 175.5444 13 D 4.7639 9.2336 127.4045 52.0514 42.3210 176.9996 14 E 3.9494 8.6308 118.2415 60.0068 29.2928 179.7164 15 Q 3.9941 8.1553 117.2195 59.0668 28.7811 178.8614 16 Q 4.0007 8.5276 119.1266 58.7732 28.7214 178.6890 17 K 3.9708 8.1456 119.3941 59.2895 32.0494 179.2815 18 A 3.9414 8.3247 121.0176 55.1560 18.3822 179.4424 19 A 3.9621 8.1443 119.4291 55.1498 18.3166 179.6068 20 L 3.8505 8.0787 118.4475 58.2978 42.2204 178.9001 21 A 3.9588 8.1859 120.5781 55.2264 18.4275 179.3981 22 A 3.9386 8.4265 119.5047 55.5180 18.5249 179.6800 23 D 4.3283 8.2496 117.3526 57.5253 40.8895 179.0373 24 I 3.7412 8.0640 120.6102 64.5879 36.9832 178.5224 25 T 3.8754 8.0780 116.6124 66.9045 68.3217 176.3648 26 D 4.3399 7.9971 120.2898 57.2969 40.7880 179.0883 27 V 3.6312 7.7171 118.3289 65.9982 31.5403 178.1938 28 I 3.7367 7.9328 119.5950 64.4592 37.0857 178.4140 29 I 3.7396 8.0371 120.8868 64.3928 36.6804 178.8153 30 R 3.8664 7.7028 117.6737 59.7585 30.0704 178.5968 31 H 4.3862 8.0435 114.5029 57.9867 28.8824 176.3867 32 L 4.4604 8.3083 117.9619 53.7652 42.2715 175.8771 33 N 4.6569 7.9316 114.1019 52.9673 36.2098 174.2839 34 S 4.4330 7.8908 110.1293 57.2909 63.4687 173.1889 35 K 4.2650 8.1926 125.1647 55.8284 33.2811 177.5204 36 D 4.2568 8.7122 123.2881 57.3452 41.4163 178.6737 37 S 4.1774 8.0940 112.2673 61.1153 62.8961 174.8964 38 S 4.4551 7.5167 113.3472 58.4606 62.9433 173.3136 39 I 4.8415 7.5436 122.8044 59.9075 38.4627 175.1904 40 S 4.9428 8.9056 121.5923 56.5493 66.1259 173.1472 41 I 5.1532 8.3556 121.4055 59.6369 40.6205 174.4082 42 A 4.8564 9.1376 128.1787 50.0569 22.3825 175.3251 43 L 5.0504 8.4228 121.0704 53.7219 44.8404 175.3666 44 Q 4.6930 9.2211 126.7862 54.1809 31.2503 174.9969 45 Q 4.8245 8.8100 123.7300 55.1763 30.1148 175.1223 46 I 4.6509 9.2143 126.6310 59.2734 39.7034 175.7933 47 Q 4.4176 8.8760 126.1318 55.2712 29.5899 175.4687 48 P 4.3009 0.0000 0.0000 66.1500 31.0262 178.8062 49 E 4.1283 8.2827 115.6343 58.6201 29.5548 178.2546 50 S 4.7424 8.3659 113.8432 58.1855 63.4038 175.7419 51 W 4.2778 8.3428 133.0700 60.5039 30.4345 177.2701 52 Q 4.0729 8.5547 118.9652 59.4365 28.3448 178.3818 53 A 4.0104 7.8768 121.6041 55.2168 18.4109 179.7032 54 I 3.4466 7.4129 117.8497 63.9466 37.0767 178.2624 55 W 3.8191 8.1390 129.4582 60.6571 30.3721 177.8813 56 D 4.4450 8.3864 117.3269 56.4838 40.3797 177.6019 57 A 4.5238 7.8536 118.2444 51.9480 19.6301 176.8319 58 E 4.2620 7.9532 114.4561 57.7866 32.2293 177.1358 59 I 3.5557 6.9405 118.5679 63.1459 38.1216 177.5390 60 A 3.4467 7.2396 123.3829 54.6808 18.3653 177.9707 61 P 4.1484 0.0000 0.0000 65.4817 31.2489 177.0392 62 Q 4.4180 7.5833 115.9466 55.5368 29.0550 176.7940 63 M 3.7104 7.7972 120.1385 59.0215 32.1033 178.7284 64 E 3.9475 8.1068 115.5501 58.3746 29.7616 177.5106 65 A 4.5022 7.7432 119.9736 51.6808 19.8888 177.2449 66 L 4.0926 7.3474 117.0383 54.6241 42.0286 177.5615 67 I 3.9699 8.1748 115.0013 61.8932 38.2805 175.8929 68 K 4.3934 7.5363 122.3820 55.0712 34.3915 175.1745 69 K 4.3368 8.4898 126.3270 54.7436 33.1787 175.1843 70 P 4.5671 0.0000 0.0000 62.8512 31.9534 176.5114 71 G 3.9915 8.8157 107.8430 45.8938 0.0000 172.3464 72 Y 4.9560 7.5873 116.7726 54.8595 41.1643 174.4353 73 S 4.2174 8.3171 112.7758 56.8875 65.4951 173.5983 74 M 4.3448 5.8600 126.2335 54.7996 32.1172 176.6914 75 N 4.4734 7.9008 115.8774 54.9005 39.5873 175.6773 76 A 4.2025 7.7284 125.4654 52.2373 18.8384 176.9505 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 4.47 0.00 2.14 2.26 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 2 H 8.74 5.23 0.00 3.19 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.84 4.46 1.83 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 1.10 0.37 0.88 0.00 0.00 4 D 8.65 5.22 0.00 2.59 2.49 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 5 I 8.96 4.46 1.88 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 0.57 0.93 0.00 0.00 6 K 8.75 5.31 0.00 1.73 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.64 7.81 7 C 8.79 4.50 0.00 2.84 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 8 F 7.86 5.58 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 1.95 2.04 0.00 3.76 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 10 R 8.89 4.64 0.00 1.89 1.86 0.00 3.06 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 11 E 8.56 4.24 0.00 1.98 1.93 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 2.30 2.23 0.00 12 L 8.20 4.65 0.00 1.53 1.51 0.93 1.26 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 13 D 9.23 4.76 0.00 2.97 2.80 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 14 E 8.63 3.95 0.00 2.00 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 0.00 2.41 2.37 0.00 15 Q 8.16 3.99 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 16 Q 8.53 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 17 K 8.15 3.97 0.00 1.98 1.87 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.65 7.81 18 A 8.32 3.94 1.39 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 19 A 8.14 3.96 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 20 L 8.08 3.85 0.00 1.78 1.93 0.92 0.95 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 21 A 8.19 3.96 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 22 A 8.43 3.94 1.39 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 23 D 8.25 4.33 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.74 2.02 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 1.72 0.97 0.91 0.00 0.00 25 T 8.08 3.88 4.44 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 0.00 0.00 0.00 1.25 0.00 0.00 26 D 8.00 4.34 0.00 2.86 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 27 V 7.72 3.63 2.24 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 1.08 0.00 0.00 0.99 0.00 0.00 28 I 7.93 3.74 2.04 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 1.77 0.66 0.92 0.00 0.00 29 I 8.04 3.74 2.01 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 1.69 1.30 0.91 0.00 0.00 30 R 7.70 3.87 0.00 1.65 1.89 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 31 H 8.04 4.39 0.00 3.25 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.31 4.46 0.00 1.71 1.70 0.93 1.06 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 33 N 7.93 4.66 0.00 2.83 2.87 0.00 0.00 7.23 7.57 0.00 0.00 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 7.89 4.43 0.00 3.83 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 35 K 8.19 4.27 0.00 1.83 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.42 7.81 36 D 8.71 4.26 0.00 2.72 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 37 S 8.09 4.18 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.46 0.00 3.85 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 39 I 7.54 4.84 1.97 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 1.29 0.80 0.92 0.00 0.00 40 S 8.91 4.94 0.00 3.93 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 41 I 8.36 5.15 1.87 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 1.26 0.67 0.96 0.00 0.00 42 A 9.14 4.86 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 43 L 8.42 5.05 0.00 1.60 1.55 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.22 4.69 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 45 Q 8.81 4.82 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 I 9.21 4.65 2.40 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 1.20 0.00 0.00 47 Q 8.88 4.42 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 48 P 0.00 4.30 0.00 1.97 1.64 0.00 3.54 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.42 0.00 49 E 8.28 4.13 0.00 1.96 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 0.00 2.33 2.47 0.00 50 S 8.37 4.74 0.00 4.07 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 51 W 8.34 4.28 0.00 3.88 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.07 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 53 A 7.88 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.41 3.45 0.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.23 0.00 0.00 55 W 8.14 3.82 0.00 3.39 3.23 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 56 D 8.39 4.44 0.00 2.72 2.75 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 57 A 7.85 4.52 1.26 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 0.00 0.00 58 E 7.95 4.26 0.00 1.85 1.77 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 2.09 2.23 0.00 59 I 6.94 3.56 0.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.15 0.00 0.00 60 A 7.24 3.45 1.05 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 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.15 0.00 2.09 2.13 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 62 Q 7.58 4.42 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 63 M 7.80 3.71 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 64 E 8.11 3.95 0.00 1.94 1.97 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 2.29 2.34 0.00 65 A 7.74 4.50 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 66 L 7.35 4.09 0.00 1.53 1.70 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.17 3.97 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 1.27 0.51 0.89 0.00 0.00 68 K 7.54 4.39 0.00 1.67 1.68 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.47 7.81 69 K 8.49 4.34 0.00 1.76 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.43 7.81 70 P 0.00 4.57 0.00 1.85 2.12 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 71 G 8.82 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 0.00 0.00 0.00 72 Y 7.59 4.96 0.00 3.09 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 73 S 8.32 4.22 0.00 3.79 3.64 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 74 M 5.86 4.34 0.00 1.48 0.57 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 2.07 2.37 0.00 75 N 7.90 4.47 0.00 2.70 2.89 0.00 0.00 7.13 7.35 0.00 0.00 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 A 7.73 4.20 1.20 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