NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.8807 8.0244 121.4529 61.9966 37.4690 170.4332 10 D 4.0317 8.1965 124.1185 51.5637 39.8113 170.5202 11 P 4.5095 0.0000 0.0000 64.9350 33.0616 178.3310 12 R 4.1026 7.5057 112.6581 56.3875 29.1556 176.8729 13 I 4.2052 9.6870 117.8091 63.3318 40.1071 175.1254 14 H 4.6628 7.9661 118.0176 56.0607 28.8856 175.8557 15 Y 3.7006 8.6422 130.8992 58.1781 36.7985 170.4414 16 L 3.7711 9.2126 115.1659 57.0445 42.0179 176.3108 17 V 3.5254 7.4887 127.8877 61.0485 30.5823 174.0261 18 P 4.6634 0.0000 0.0000 61.3817 32.9262 175.5248 19 K 4.3256 8.2731 118.6472 56.6138 33.2685 176.8813 20 H 4.7757 8.8096 122.0185 55.1644 31.0951 174.1206 21 E 4.7367 8.2952 115.9856 55.2342 34.2900 175.1507 22 V 4.1064 8.3867 124.5052 62.4675 32.3186 175.4132 23 L 4.1694 8.0653 128.6190 54.6790 42.2981 178.1278 24 N 4.5504 8.7202 123.2198 54.0471 37.3782 176.3047 25 I 3.0507 7.9965 117.4185 63.8059 38.0370 176.4161 26 D 4.4316 8.2928 120.7288 57.3956 40.6395 178.0348 27 E 4.2289 8.0137 114.0427 57.9190 31.9956 178.3818 28 A 4.1008 8.2057 122.5547 53.3851 17.7934 178.2578 29 Y 4.0795 9.6215 122.8515 58.6914 38.6355 176.9030 30 K 4.0385 7.9291 121.9034 59.1941 32.2752 178.3423 31 I 3.6481 8.0315 118.7366 63.8044 38.0496 177.6011 32 L 4.0064 7.7197 119.5714 57.3176 41.6181 179.3218 33 K 3.9844 7.7825 118.6841 59.0631 31.7775 177.9633 34 E 4.4594 7.5226 116.4358 55.9139 29.7524 175.9844 35 L 4.5731 7.4634 115.2897 53.6778 43.2871 176.8826 36 G 4.4367 7.3724 105.9991 46.6611 0.0000 173.4239 37 I 4.5470 6.8911 110.2878 58.4072 41.0436 175.3402 38 R 4.2504 7.9732 120.1917 54.8238 31.0378 176.1586 39 P 4.1701 0.0000 0.0000 65.2182 31.6534 177.9001 40 E 2.7445 7.9207 115.7663 58.3511 29.0481 177.1279 41 Q 3.8120 6.5776 117.9638 53.6440 27.8044 174.3902 42 L 4.1822 7.0256 123.3902 55.9803 42.2241 175.9521 43 P 3.7821 0.0000 0.0000 64.5223 32.2254 176.0452 44 W 3.7096 8.1610 119.7745 57.5785 28.9075 174.1315 45 I 4.4224 8.3955 123.0396 59.4500 39.1139 174.3962 46 R 4.5945 8.2997 124.8412 55.1668 31.3053 176.4283 47 A 4.1610 8.6377 127.1316 55.6336 18.6279 179.6708 48 S 4.2258 8.0177 108.1256 59.0255 62.5590 173.0409 49 D 4.7061 8.0558 122.2144 52.1445 41.5247 175.5236 50 P 4.2842 0.0000 0.0000 64.7409 31.2249 176.6529 51 V 4.0693 7.6112 116.5599 63.2138 33.2438 176.6623 52 A 4.3071 8.1941 121.7606 54.5633 19.0372 179.1952 53 R 3.8915 7.9865 115.0395 59.2586 30.0209 178.1907 54 S 4.2988 7.9697 112.0870 59.5814 62.7231 173.0935 55 I 4.2132 6.7131 122.3386 59.7802 38.8542 174.6511 56 N 4.0469 8.0187 126.4092 52.8348 36.5150 173.4703 57 A 4.7043 8.0615 125.2044 49.9234 22.0539 175.3360 58 K 4.3803 8.3276 121.1531 54.4638 33.9812 175.8225 59 P 4.6492 0.0000 0.0000 61.1517 29.6801 175.9397 60 G 4.3005 6.9645 119.2576 46.7195 0.0000 172.1479 61 D 4.5416 7.6059 120.4356 53.4369 41.4501 175.7361 62 I 4.4916 8.0806 117.1300 59.2220 40.3644 175.2541 63 I 4.5547 8.2193 124.7738 61.0237 39.2857 174.9866 64 R 4.6015 9.0170 123.6996 54.9563 32.5743 174.0849 65 I 4.2514 8.4642 128.0096 60.4264 39.4792 175.5606 66 I 4.8553 8.0783 125.2248 58.6315 38.5315 174.5099 67 R 4.3156 8.0818 122.7106 54.6968 31.4309 176.6772 68 K 4.2053 8.6518 120.8044 56.8587 32.7415 176.1547 69 S 4.7889 8.2390 116.1696 56.6473 64.4368 174.0840 70 Q 4.3157 8.6310 124.6613 57.1383 28.8705 176.3820 71 L 4.8246 8.2988 115.6452 54.3556 44.1384 176.7070 72 Y 4.6486 7.6608 116.5701 56.6237 40.3809 176.7886 73 G 4.0069 8.3414 105.0082 45.2624 0.0000 173.8483 74 E 5.9264 6.7478 127.7238 56.2571 33.6095 176.4128 75 V 4.5318 8.3234 124.0383 60.9935 34.3770 174.7786 76 V 4.0673 8.4824 127.6814 63.0234 32.6995 174.4755 77 S 4.4191 8.3422 120.2524 58.0061 66.6580 171.7692 78 Y 4.9978 7.9103 117.8966 55.3602 41.8387 175.3778 79 R 4.5755 8.2543 123.6008 55.9154 34.8697 174.5657 80 Y 4.3515 9.0626 129.2833 57.4854 43.3424 171.3375 81 V 4.1925 8.4500 123.1866 63.1134 32.6325 171.1942 82 I 4.4014 8.2346 125.4647 61.7525 38.1121 175.0108 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 9 I 8.02 3.88 1.88 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 1.31 1.07 0.92 0.00 0.00 10 D 8.20 4.03 0.00 2.87 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 11 P 0.00 4.51 0.00 2.26 2.29 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 12 R 7.51 4.10 0.00 1.96 2.06 0.00 3.14 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 13 I 9.69 4.21 1.80 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 1.31 0.87 0.48 0.00 0.00 14 H 7.97 4.66 0.00 3.24 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.64 3.70 0.00 3.05 2.37 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 16 L 9.21 3.77 0.00 1.75 1.68 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.49 3.53 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 0.80 0.00 0.00 0.97 0.00 0.00 18 P 0.00 4.66 0.00 2.13 2.05 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 19 K 8.27 4.33 0.00 1.77 1.77 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.69 7.81 20 H 8.81 4.78 0.00 2.99 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.30 4.74 0.00 2.13 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 0.00 2.24 2.26 0.00 22 V 8.39 4.11 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 0.82 0.00 0.00 0.98 0.00 0.00 23 L 8.07 4.17 0.00 1.98 1.64 1.11 1.11 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 24 N 8.72 4.55 0.00 2.97 2.78 0.00 0.00 6.89 7.15 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 25 I 8.00 3.05 1.88 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 1.44 0.88 0.88 0.00 0.00 26 D 8.29 4.43 0.00 2.76 2.76 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 0.00 0.00 0.00 0.00 27 E 8.01 4.23 0.00 2.11 2.11 0.00 0.00 0.00 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 2.40 0.00 28 A 8.21 4.10 1.41 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 0.00 0.00 29 Y 9.62 4.08 0.00 2.93 2.99 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 30 K 7.93 4.04 0.00 1.97 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.50 1.50 7.81 31 I 8.03 3.65 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.53 0.00 0.00 32 L 7.72 4.01 0.00 1.78 1.70 0.43 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.78 3.98 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.79 7.81 34 E 7.52 4.46 0.00 1.89 1.89 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 2.26 2.32 0.00 35 L 7.46 4.57 0.00 1.72 1.50 0.80 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.37 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 0.00 0.00 0.00 0.00 37 I 6.89 4.55 1.73 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 1.35 0.66 0.94 0.00 0.00 38 R 7.97 4.25 0.00 1.85 1.77 0.00 3.17 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 39 P 0.00 4.17 0.00 2.19 2.00 0.00 3.61 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 1.84 1.39 0.00 40 E 7.92 2.74 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 41 Q 6.58 3.81 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 42 L 7.03 4.18 0.00 1.76 1.59 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 3.78 0.00 2.38 2.28 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 44 W 8.16 3.71 0.00 3.51 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.42 1.97 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 1.36 1.35 1.01 0.00 0.00 46 R 8.30 4.59 0.00 1.86 1.84 0.00 3.48 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 47 A 8.64 4.16 1.34 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 0.00 0.00 48 S 8.02 4.23 0.00 3.89 3.90 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 49 D 8.06 4.71 0.00 2.83 2.54 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 50 P 0.00 4.28 0.00 2.22 2.19 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 51 V 7.61 4.07 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 0.60 0.00 0.00 0.91 0.00 0.00 52 A 8.19 4.31 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 53 R 7.99 3.89 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 54 S 7.97 4.30 0.00 4.15 3.95 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 55 I 6.71 4.21 1.86 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 1.30 1.04 0.95 0.00 0.00 56 N 8.02 4.05 0.00 2.76 2.76 0.00 0.00 6.87 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 57 A 8.06 4.70 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 58 K 8.33 4.38 0.00 1.89 1.69 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.43 7.81 59 P 0.00 4.65 0.00 2.03 2.21 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 60 G 6.96 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 0.00 0.00 0.00 0.00 61 D 7.61 4.54 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.08 4.49 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.86 0.00 0.00 63 I 8.22 4.55 1.93 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 1.29 0.55 0.99 0.00 0.00 64 R 9.02 4.60 0.00 2.00 1.81 0.00 3.26 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 2.03 0.00 65 I 8.46 4.25 1.67 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 0.95 0.35 0.67 0.00 0.00 66 I 8.08 4.86 1.83 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 0.85 1.35 0.93 0.00 0.00 67 R 8.08 4.32 0.00 1.84 1.99 0.00 2.95 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 68 K 8.65 4.21 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 69 S 8.24 4.79 0.00 3.87 3.90 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 70 Q 8.63 4.32 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 71 L 8.30 4.82 0.00 1.61 1.70 0.93 0.73 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 72 Y 7.66 4.65 0.00 2.83 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 73 G 8.34 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 74 E 6.75 5.93 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 2.10 1.97 0.00 75 V 8.32 4.53 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 0.86 0.00 0.00 1.01 0.00 0.00 76 V 8.48 4.07 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 0.71 0.00 0.00 0.98 0.00 0.00 77 S 8.34 4.42 0.00 3.76 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.91 5.00 0.00 2.81 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 79 R 8.25 4.58 0.00 1.82 1.30 0.00 3.51 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 80 Y 9.06 4.35 0.00 2.52 2.61 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 81 V 8.45 4.19 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 1.21 0.00 0.00 0.93 0.00 0.00 82 I 8.23 4.40 2.25 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 1.92 1.44 1.04 0.00 0.00