NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3363 8.2549 119.7128 56.0364 32.4908 175.8081 5 I 4.0240 7.5926 119.2022 60.6748 38.5258 174.0785 6 R 5.2344 9.5212 125.2960 54.4719 35.3285 173.9109 7 K 4.8234 8.9452 120.6573 55.0192 36.1661 174.1570 8 C 4.6133 8.9983 128.5680 56.1806 44.0243 172.5600 9 P 4.1422 0.0000 0.0000 64.0858 31.2354 176.5106 10 K 4.3251 7.6184 117.8854 58.0801 33.4961 176.2147 11 C 4.2812 8.0154 113.0561 56.5202 41.9145 174.7529 12 G 3.7432 7.9854 106.8067 45.5054 0.0000 173.2372 13 R 4.1522 7.5309 119.9593 56.2072 31.3922 174.6962 14 Y 5.0078 8.3537 122.6114 57.2909 39.7741 174.6337 15 T 4.5299 8.7778 116.0067 61.8627 71.1451 173.7661 16 L 4.6737 8.6412 123.7945 55.3156 42.5506 177.4494 17 K 4.3589 7.9105 118.1563 56.1234 33.0004 176.4083 18 E 4.9175 8.4823 117.4679 55.8266 31.0361 175.7524 19 V 4.7020 7.4879 119.8585 60.5894 34.1134 175.1815 20 C 4.0846 9.3703 128.6853 56.8744 44.0649 172.4454 21 P 4.4175 0.0000 0.0000 63.5514 31.7501 177.0673 22 V 3.9592 7.7671 118.9748 64.9940 31.9955 175.3003 23 C 4.7174 8.3538 111.1389 54.6025 43.3725 174.7944 24 G 3.7265 8.0389 108.1701 44.8466 0.0000 173.5261 25 E 4.2461 7.7800 118.7896 55.9709 30.9295 176.4230 26 K 4.6808 8.5361 121.5915 56.9205 33.0220 177.0351 27 T 4.6816 8.6988 114.7004 60.7218 71.4395 173.5762 28 K 4.9771 8.7132 120.7135 54.1072 36.8599 176.0063 29 V 4.1656 8.3590 121.6819 63.2488 31.7344 176.7332 30 A 3.9176 9.1967 130.8791 54.8869 18.8565 177.5229 31 H 4.5634 7.6784 112.3097 54.3214 29.7460 173.8234 32 P 4.4918 0.0000 0.0000 61.6233 31.9019 174.7889 33 P 4.4487 0.0000 0.0000 62.6479 31.9008 176.7826 34 R 4.2172 8.4292 120.5008 56.1578 30.7402 175.9680 35 F 4.9239 8.6112 122.6826 56.3573 42.4803 174.1572 36 S 4.5432 7.1714 122.4547 55.6416 64.7569 173.4382 37 P 4.4300 0.0000 0.0000 64.6927 31.1680 176.8104 38 E 4.0553 7.7523 117.6006 56.6746 30.4537 175.8066 39 D 3.9877 7.3707 113.4700 54.6979 39.3505 172.0898 40 P 4.1603 0.0000 0.0000 64.3761 32.0470 177.1521 41 Y 5.1605 7.3907 114.2066 57.5896 39.0011 177.4012 42 G 3.8232 8.0910 110.2098 48.1981 0.0000 175.4658 43 E 3.8497 8.4021 121.3158 59.3473 29.3998 178.1924 44 Y 4.2970 7.9384 115.0806 59.7968 38.5928 177.5248 45 R 4.2378 8.5142 120.0298 59.9054 30.2304 178.3910 46 R 3.9560 8.1578 117.6048 59.6490 30.2567 179.0677 47 R 3.9026 7.5916 116.2898 59.2039 29.9317 178.9373 48 W 4.3933 8.1229 126.5530 60.3142 30.4190 177.6211 49 K 3.0554 8.2891 120.0833 59.1199 31.5594 179.0711 50 R 3.8699 8.2691 118.6982 59.0708 29.6353 178.6834 51 E 3.8101 7.6697 118.0711 58.9522 29.5237 178.3540 52 V 3.7787 7.0511 114.9110 64.2502 31.5172 176.0234 53 L 4.3933 7.4612 115.5070 56.7605 44.2828 176.7058 54 G 4.0106 8.6118 111.4322 45.7678 0.0000 173.2436 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 4 R 8.25 4.34 0.00 1.84 2.09 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 5 I 7.59 4.02 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 1.06 0.00 0.00 6 R 9.52 5.23 0.00 1.80 1.90 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 7 K 8.95 4.82 0.00 1.47 1.39 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.61 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.92 0.21 7.81 8 C 9.00 4.61 0.00 2.98 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 9 P 0.00 4.14 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 10 K 7.62 4.33 0.00 1.68 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.38 7.81 11 C 8.02 4.28 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 3.74 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 0.00 0.00 0.00 13 R 7.53 4.15 0.00 1.94 1.76 0.00 3.27 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 14 Y 8.35 5.01 0.00 2.92 2.85 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 15 T 8.78 4.53 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 1.22 0.00 0.00 16 L 8.64 4.67 0.00 1.69 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.91 4.36 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 18 E 8.48 4.92 0.00 1.92 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 2.33 2.13 0.00 19 V 7.49 4.70 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 20 C 9.37 4.08 0.00 3.15 3.16 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 0.00 0.00 0.00 21 P 0.00 4.42 0.00 2.20 2.15 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 22 V 7.77 3.96 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 0.85 0.00 0.00 0.93 0.00 0.00 23 C 8.35 4.72 0.00 3.08 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 24 G 8.04 3.73 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 0.00 0.00 0.00 25 E 7.78 4.25 0.00 1.89 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 0.00 2.39 2.28 0.00 26 K 8.54 4.68 0.00 1.62 1.74 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.50 7.81 27 T 8.70 4.68 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 1.21 0.00 0.00 28 K 8.71 4.98 0.00 1.71 1.69 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 29 V 8.36 4.17 2.12 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 1.05 0.00 0.00 0.97 0.00 0.00 30 A 9.20 3.92 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 31 H 7.68 4.56 0.00 3.19 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.49 0.00 2.09 2.02 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 33 P 0.00 4.45 0.00 2.14 2.06 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 34 R 8.43 4.22 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 35 F 8.61 4.92 0.00 2.94 2.91 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 36 S 7.17 4.54 0.00 3.60 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.16 2.23 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 38 E 7.75 4.06 0.00 1.79 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 2.19 2.28 0.00 39 D 7.37 3.99 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 0.75 1.78 0.00 3.14 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.79 0.00 41 Y 7.39 5.16 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.09 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 43 E 8.40 3.85 0.00 2.04 1.91 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 1.81 2.25 0.00 44 Y 7.94 4.30 0.00 3.21 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 45 R 8.51 4.24 0.00 2.22 2.30 0.00 3.43 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 46 R 8.16 3.96 0.00 2.05 2.01 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 47 R 7.59 3.90 0.00 2.19 2.05 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 48 W 8.12 4.39 0.00 3.33 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.06 0.00 1.50 1.75 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.01 7.81 50 R 8.27 3.87 0.00 1.95 1.92 0.00 3.15 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 51 E 7.67 3.81 0.00 2.10 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 0.00 2.31 2.31 0.00 52 V 7.05 3.78 1.79 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 0.82 0.00 0.00 0.54 0.00 0.00 53 L 7.46 4.39 0.00 1.51 1.56 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.61 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