NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3093 N 4.6897 8.2676 119.2093 53.2291 39.2062 174.4707 3094 L 4.1243 8.2273 124.6377 55.6380 40.5161 177.5143 3095 L 4.0621 7.6984 122.8279 57.6655 42.9840 178.2209 3096 N 5.0934 7.8780 114.1047 52.2623 37.8804 173.5543 3097 Y 4.2058 7.8232 119.4895 58.4493 39.4144 175.2927 3098 V 4.1494 7.2784 119.2039 59.0490 33.9937 175.7280 3099 V 3.4295 8.1078 123.9960 61.7939 31.1888 172.7050 3100 P 4.1240 0.0000 0.0000 62.0897 30.8314 176.0902 3101 K 4.0201 8.3612 123.0588 56.6967 32.3535 176.6124 3102 M 4.7989 8.2312 119.5259 54.4197 34.1148 175.1179 3103 R 4.6641 7.9992 117.8795 53.7244 30.4479 173.8131 3104 P 4.1164 0.0000 0.0000 64.5690 32.0182 176.1669 3105 Y 4.5852 8.0671 116.4637 56.7829 38.2113 174.2962 3106 A 5.1424 8.3417 125.9846 49.8895 21.1079 176.0440 3107 C 4.2661 8.9697 123.4819 59.0918 31.5318 172.1384 3108 P 4.2733 0.0000 0.0000 65.5899 31.2041 176.2991 3109 V 3.5410 7.8487 119.1361 62.8582 31.3602 175.7398 3110 E 3.9889 9.0215 128.1784 59.6432 29.3957 179.0950 3111 S 4.2172 8.0098 111.1550 60.0414 63.4441 173.3162 3112 C 4.5694 8.0659 122.8539 58.0605 32.2176 172.5942 3113 D 4.7634 8.5460 125.1081 53.0739 39.7213 176.4634 3114 R 3.9079 7.7387 120.3522 56.7622 31.1044 175.7157 3115 R 4.9874 7.8427 121.4999 54.4355 33.8867 174.5118 3116 F 4.9725 9.5257 121.5088 55.7482 42.5315 176.7163 3117 S 4.5323 9.2267 116.7918 60.6337 63.3997 175.1438 3118 R 4.6368 8.2433 118.4755 53.5821 33.1734 176.2641 3119 S 3.1439 7.7049 116.1262 61.4065 61.7242 176.5293 3120 D 4.3054 7.7636 120.8427 56.1176 39.0704 178.3741 3121 E 3.7300 7.7748 120.2919 59.2156 29.4644 178.8688 3122 L 3.1999 7.4212 119.7391 58.2084 41.9112 178.8594 3123 T 3.8181 7.4586 114.8510 66.5570 68.5341 176.5996 3124 R 4.0193 7.5343 119.2628 59.4923 30.1376 177.9556 3125 H 3.9076 7.8056 117.8959 59.8603 29.8692 176.8351 3126 I 3.6551 8.0405 121.2096 64.7946 36.9120 178.3437 3127 R 4.0599 8.1936 118.5312 58.5540 29.5459 178.9635 3128 I 3.6380 7.9319 120.0079 64.7853 37.1749 177.2189 3129 H 4.4480 7.8659 115.2606 58.7628 28.8174 176.7971 3130 T 4.0389 7.8247 108.0463 62.0635 69.0699 176.1008 3131 G 3.8866 8.5379 109.5743 45.2750 0.0000 173.5211 3132 Q 4.0517 7.7523 121.2013 56.2211 29.3696 176.5650 3133 K 4.6277 8.1756 124.0003 54.1041 32.6467 174.0780 3134 P 4.2331 0.0000 0.0000 62.8048 31.5498 176.2046 3135 F 4.8131 8.2561 118.4021 55.7586 41.9445 173.6697 3136 Q 5.2054 8.6908 124.9723 53.9240 31.7143 174.5519 3137 C 4.3842 9.2741 127.6653 59.6621 32.0474 174.5710 3138 R 4.0659 8.8828 126.3265 58.8425 30.3423 177.5587 3139 I 3.9930 7.9060 118.0524 63.5856 37.3439 176.3098 3140 C 4.6435 7.8718 111.6181 57.3755 30.5256 174.6554 3141 M 3.4502 8.3712 118.8143 55.9321 29.9079 176.9070 3142 R 4.0414 7.4581 118.9370 56.4595 31.2205 175.5609 3143 N 5.2504 8.2391 119.8456 52.2242 40.4441 174.3415 3144 F 4.9968 9.1971 119.7258 56.1685 43.4904 175.6356 3145 S 4.7407 9.1106 114.2478 58.9882 64.3911 175.0144 3146 R 4.4227 7.6466 119.8616 53.6920 34.4742 176.1086 3147 S 3.2383 7.2929 116.3205 60.9345 62.4457 176.2339 3148 D 4.1508 7.5830 121.5214 56.7537 39.0728 178.2065 3149 H 4.2319 7.6982 117.0534 58.2551 28.7709 177.3323 3150 L 2.8243 7.2952 121.8607 57.8675 41.4794 179.2377 3151 T 3.7879 7.8863 116.1958 66.8243 68.2151 176.9411 3152 T 3.9113 7.6126 110.3598 64.8559 68.9811 175.7822 3153 H 4.2107 8.0061 121.1960 59.1588 29.8952 177.2415 3154 I 3.7008 7.7811 121.6299 64.5164 36.8234 178.6009 3155 R 3.9809 7.6614 117.8288 59.0922 29.6510 178.5796 3156 T 3.9785 7.5037 107.8961 63.8214 68.6724 175.1024 3157 H 4.6334 7.9203 118.4171 56.8831 29.4929 175.0222 3158 T 4.1991 8.0189 121.8390 63.5348 68.6302 173.9505 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 3093 N 8.27 4.69 0.00 2.79 2.84 0.00 0.00 6.83 5.78 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 3094 L 8.23 4.12 0.00 1.85 1.76 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3095 L 7.70 4.06 0.00 1.65 1.77 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3096 N 7.88 5.09 0.00 2.81 2.84 0.00 0.00 5.97 7.55 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 3097 Y 7.82 4.21 0.00 2.96 3.06 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 3098 V 7.28 4.15 1.94 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 0.72 0.00 0.00 0.71 0.00 0.00 3099 V 8.11 3.43 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 0.85 0.00 0.00 1.03 0.00 0.00 3100 P 0.00 4.12 0.00 2.07 2.05 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 3101 K 8.36 4.02 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.36 7.81 3102 M 8.23 4.80 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 3103 R 8.00 4.66 0.00 1.73 1.94 0.00 3.13 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 3104 P 0.00 4.12 0.00 1.33 1.86 0.00 3.91 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 1.91 2.02 0.00 3105 Y 8.07 4.59 0.00 3.20 3.02 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 3106 A 8.34 5.14 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 3107 C 8.97 4.27 0.00 3.12 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 3108 P 0.00 4.27 0.00 2.24 2.21 0.00 3.94 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 2.04 2.01 0.00 3109 V 7.85 3.54 1.99 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 1.03 0.00 0.00 0.74 0.00 0.00 3110 E 9.02 3.99 0.00 1.99 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 2.33 2.32 0.00 3111 S 8.01 4.22 0.00 3.98 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 3112 C 8.07 4.57 0.00 2.97 3.05 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 3113 D 8.55 4.76 0.00 2.79 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 3114 R 7.74 3.91 0.00 1.73 1.71 0.00 2.78 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 3115 R 7.84 4.99 0.00 1.46 1.68 0.00 3.09 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 3116 F 9.53 4.97 0.00 3.04 3.22 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 0.00 3117 S 9.23 4.53 0.00 3.96 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 3118 R 8.24 4.64 0.00 1.84 1.99 0.00 3.16 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 3119 S 7.70 3.14 0.00 2.90 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3120 D 7.76 4.31 0.00 2.82 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 3121 E 7.77 3.73 0.00 2.18 1.75 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 2.31 2.27 0.00 3122 L 7.42 3.20 0.00 1.83 1.76 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 3123 T 7.46 3.82 4.32 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 1.20 0.00 0.00 3124 R 7.53 4.02 0.00 1.90 1.89 0.00 3.09 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 3125 H 7.81 3.91 0.00 2.92 3.21 0.00 5.82 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 3126 I 8.04 3.66 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.07 0.96 0.00 0.00 3127 R 8.19 4.06 0.00 1.92 2.18 0.00 3.36 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 3128 I 7.93 3.64 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.79 0.00 0.00 3129 H 7.87 4.45 0.00 3.30 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3130 T 7.82 4.04 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 3131 G 8.54 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 0.00 0.00 0.00 3132 Q 7.75 4.05 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 3133 K 8.18 4.63 0.00 1.73 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.63 7.81 3134 P 0.00 4.23 0.00 1.12 1.77 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 3135 F 8.26 4.81 0.00 3.09 3.02 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 3136 Q 8.69 5.21 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.62 0.00 3137 C 9.27 4.38 0.00 3.38 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 3138 R 8.88 4.07 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 3139 I 7.91 3.99 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.70 0.00 0.00 3140 C 7.87 4.64 0.00 3.14 3.22 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 0.00 3141 M 8.37 3.45 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 3142 R 7.46 4.04 0.00 1.74 1.47 0.00 3.14 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 3143 N 8.24 5.25 0.00 2.44 2.64 0.00 0.00 6.75 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3144 F 9.20 5.00 0.00 3.21 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 3145 S 9.11 4.74 0.00 4.05 4.05 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 3146 R 7.65 4.42 0.00 1.80 1.79 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 3147 S 7.29 3.24 0.00 3.14 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 3148 D 7.58 4.15 0.00 2.74 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 3149 H 7.70 4.23 0.00 3.28 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3150 L 7.30 2.82 0.00 1.65 1.62 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 3151 T 7.89 3.79 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 1.15 0.00 0.00 3152 T 7.61 3.91 4.20 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 1.19 0.00 0.00 3153 H 8.01 4.21 0.00 3.09 3.11 0.00 5.79 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 3154 I 7.78 3.70 1.97 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 1.56 0.90 0.92 0.00 0.00 3155 R 7.66 3.98 0.00 2.01 1.95 0.00 3.09 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 3156 T 7.50 3.98 4.17 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 1.22 0.00 0.00 3157 H 7.92 4.63 0.00 3.32 3.35 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3158 T 8.02 4.20 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