NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4616 8.3344 115.5532 57.8731 64.7795 173.3990 1 M 4.5010 8.5179 120.2984 52.5973 34.9259 172.5521 2 L 4.9695 8.3920 128.7899 53.9535 44.2618 174.7210 3 I 4.8607 8.9218 119.7023 59.0183 41.4685 174.1549 4 K 4.9649 8.8301 121.1340 54.5058 35.4431 175.8261 5 V 4.6286 8.9654 124.0767 61.1005 34.1764 173.9200 6 K 4.9503 8.8834 130.9729 55.1608 33.9674 176.6845 7 T 4.7180 8.8181 118.4653 60.6467 70.1229 175.1633 8 L 4.2725 8.3575 119.9687 56.2044 41.7086 177.8722 9 T 4.3431 7.7314 107.7813 61.1610 68.9964 175.6043 10 G 3.9525 8.0102 111.5050 45.1167 0.0000 174.2454 11 K 3.9836 7.8868 121.6644 56.5001 32.7493 174.6983 12 E 5.0679 8.6806 125.2440 54.7557 31.7039 175.1230 13 I 4.3958 8.8967 126.2735 59.7671 39.2258 174.7249 14 E 4.9053 8.7277 126.7001 55.5728 31.0024 175.9045 15 I 4.6084 8.6465 123.7938 59.6285 41.7023 173.6182 16 D 5.3202 8.8044 126.8061 53.0319 42.0969 175.2455 17 I 4.7549 9.1101 119.1735 59.1932 41.7029 174.0190 18 E 4.7796 9.0573 122.1480 54.2198 31.3153 175.7942 19 P 4.2120 0.0000 0.0000 65.9570 31.5616 178.3152 20 T 4.1911 7.7475 105.4744 62.6035 69.4466 174.5573 21 D 4.4556 8.0379 124.4422 54.0928 41.5659 176.3300 22 K 4.5709 8.4488 122.7607 56.0766 33.1570 178.1347 23 V 3.5822 8.7966 121.5320 66.3112 31.3303 178.0297 24 E 3.9304 8.4129 119.0641 59.4643 29.3040 178.9626 25 R 3.9124 7.9918 118.7070 59.2267 30.1377 178.4555 26 I 3.6624 7.7171 119.2370 64.3914 37.1753 178.1652 27 K 4.4180 7.8665 120.4433 59.1117 31.9005 179.2136 28 E 4.0162 8.1022 118.6317 59.4104 29.1942 179.6422 29 R 3.9918 7.9780 118.3134 59.0282 30.0462 179.1631 30 V 3.6068 7.9594 118.2549 65.6233 31.4654 177.7381 31 E 3.9791 8.2746 119.2165 59.4628 29.3327 178.5536 32 E 4.0628 7.7391 116.6173 59.3235 29.5342 179.2693 33 K 4.1918 7.7120 117.2559 58.5142 32.5915 178.2664 34 E 4.5952 8.2771 115.3323 54.9539 30.7682 177.1380 35 G 3.8609 8.3648 107.0144 45.7136 0.0000 173.5144 36 I 4.1152 7.4872 120.7449 59.2271 37.9140 174.1007 37 P 4.3796 0.0000 0.0000 61.9231 32.0666 175.7686 38 P 4.2725 0.0000 0.0000 65.7879 31.4609 178.7346 39 Q 4.0658 8.0488 115.6879 58.2886 28.9460 176.8327 40 Q 4.3735 8.1697 115.7711 55.9943 29.6083 174.7804 41 Q 4.9582 7.8998 118.4257 54.4755 31.1712 174.9218 42 R 4.8884 9.0070 121.2626 54.3497 34.3195 174.2585 43 L 5.3353 8.4862 122.0727 52.8554 45.0234 175.4029 44 I 4.8510 8.4227 116.1901 59.6341 41.3331 173.7119 45 Y 4.9134 9.2593 122.5384 57.5573 42.7574 174.3438 46 S 3.2357 9.0932 120.5039 59.5692 60.5393 173.5043 47 G 3.9575 8.9104 106.0893 45.3744 0.0000 173.6256 48 K 4.6927 7.8342 118.1782 54.1390 36.3204 175.6464 49 Q 4.5395 8.4631 118.5887 56.5649 29.8220 175.0173 50 M 4.3407 7.8565 119.7235 52.9583 34.5843 175.2703 51 N 4.3410 9.7838 123.4981 54.0436 39.6334 175.1055 52 D 4.4496 9.1320 127.3204 57.5744 41.0921 178.5344 53 E 4.3054 8.8347 116.2629 56.7693 30.1563 176.5119 54 K 4.4235 8.0926 119.5603 55.4243 33.6773 175.7948 55 T 4.9021 8.8586 110.7183 59.7872 71.0169 175.6276 56 A 3.9930 8.8563 125.6520 55.5320 18.6961 180.2377 57 A 4.0707 8.2623 118.5280 55.3239 18.7084 179.4321 58 D 4.2599 7.9700 115.2085 57.5427 40.8655 177.0832 59 Y 4.5400 7.7088 113.9762 56.9639 37.9141 175.3667 60 K 3.9224 7.7827 118.0483 57.3152 30.3652 175.5461 61 I 3.8625 7.7138 118.8422 61.0370 37.7660 175.7902 62 L 4.8625 8.6749 124.1867 51.9544 45.2735 176.0724 63 G 3.8379 8.4784 108.6051 47.6423 0.0000 174.1097 64 G 4.0094 9.2084 112.5202 45.0130 0.0000 174.1588 65 S 4.3516 7.9713 116.2478 59.1801 64.2056 173.6985 66 V 4.6825 8.5223 122.7030 61.3656 32.9653 174.9306 67 L 4.8895 8.8798 128.5598 54.1033 44.0748 175.3311 68 H 5.3069 8.9489 117.8778 54.0145 31.9748 172.9833 69 L 4.9922 9.0069 124.9304 53.5256 43.3557 175.5406 70 V 4.4682 8.7758 127.0098 61.0338 33.9477 175.1048 71 L 4.8519 8.5265 126.9123 53.9357 42.8136 176.5138 72 A 4.2296 8.4286 123.1477 52.2013 18.9363 177.3103 73 L 4.7852 8.3708 120.1872 53.0652 44.9998 175.9625 74 R 4.5822 7.6907 116.8631 55.1875 32.3355 173.9308 75 G 3.9977 7.8175 105.8762 45.5684 0.0000 173.5975 76 G 3.7244 8.6926 108.3977 45.3999 0.0000 173.6932 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 0 S 8.33 4.46 0.00 3.99 4.06 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 1 M 8.52 4.50 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 L 8.39 4.97 0.00 1.80 1.52 0.96 0.99 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 3 I 8.92 4.86 1.92 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 1.28 0.52 0.90 0.00 0.00 4 K 8.83 4.96 0.00 1.67 1.68 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 5 V 8.97 4.63 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 0.92 0.00 0.00 0.89 0.00 0.00 6 K 8.88 4.95 0.00 1.78 1.53 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.37 7.81 7 T 8.82 4.72 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 1.21 0.00 0.00 8 L 8.36 4.27 0.00 1.67 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.73 4.34 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 10 G 8.01 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 0.00 0.00 0.00 11 K 7.89 3.98 0.00 1.89 1.70 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.51 1.03 7.81 12 E 8.68 5.07 0.00 1.86 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 2.20 2.47 0.00 13 I 8.90 4.40 1.85 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 1.22 0.59 0.90 0.00 0.00 14 E 8.73 4.91 0.00 1.84 1.86 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 2.26 2.32 0.00 15 I 8.65 4.61 1.84 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 1.09 0.91 0.89 0.00 0.00 16 D 8.80 5.32 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.11 4.75 1.85 0.00 0.00 0.81 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 0.85 0.88 0.00 0.00 18 E 9.06 4.78 0.00 2.05 1.88 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 2.25 2.41 0.00 19 P 0.00 4.21 0.00 2.17 2.11 0.00 3.58 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 2.11 2.08 0.00 20 T 7.75 4.19 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 21 D 8.04 4.46 0.00 2.88 2.63 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 22 K 8.45 4.57 0.00 1.83 1.95 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.43 7.81 23 V 8.80 3.58 2.26 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 0.94 0.00 0.00 1.08 0.00 0.00 24 E 8.41 3.93 0.00 2.27 1.95 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 2.31 2.21 0.00 25 R 7.99 3.91 0.00 1.98 2.13 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 26 I 7.72 3.66 1.96 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 1.60 0.79 0.86 0.00 0.00 27 K 7.87 4.42 0.00 1.99 1.86 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.49 7.81 28 E 8.10 4.02 0.00 2.20 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 0.00 2.32 2.60 0.00 29 R 7.98 3.99 0.00 1.96 1.96 0.00 3.11 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 30 V 7.96 3.61 2.33 0.00 0.00 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 0.00 0.00 0.93 0.00 0.00 31 E 8.27 3.98 0.00 2.22 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 0.00 2.30 2.42 0.00 32 E 7.74 4.06 0.00 2.12 2.01 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 2.35 2.56 0.00 33 K 7.71 4.19 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.46 7.81 34 E 8.28 4.60 0.00 2.01 1.95 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 2.23 2.42 0.00 35 G 8.36 3.86 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 0.00 0.00 0.00 36 I 7.49 4.12 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 1.41 0.60 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.27 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 39 Q 8.05 4.07 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 40 Q 8.17 4.37 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 7.90 4.96 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 42 R 9.01 4.89 0.00 1.69 1.75 0.00 3.23 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 43 L 8.49 5.34 0.00 1.48 1.46 0.87 0.65 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 44 I 8.42 4.85 1.94 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 1.28 1.02 0.91 0.00 0.00 45 Y 9.26 4.91 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.09 3.24 0.00 3.90 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 47 G 8.91 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 0.00 0.00 0.00 48 K 7.83 4.69 0.00 1.86 1.70 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 49 Q 8.46 4.54 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 50 M 7.86 4.34 0.00 1.03 1.73 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.01 0.00 51 N 9.78 4.34 0.00 2.87 2.93 0.00 0.00 6.75 8.45 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 52 D 9.13 4.45 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 53 E 8.83 4.31 0.00 2.07 2.01 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 2.32 2.43 0.00 54 K 8.09 4.42 0.00 2.13 1.78 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 55 T 8.86 4.90 4.48 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 1.25 0.00 0.00 56 A 8.86 3.99 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 57 A 8.26 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.26 0.00 2.70 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 4.54 0.00 2.96 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 60 K 7.78 3.92 0.00 2.31 1.96 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.26 7.81 61 I 7.71 3.86 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.16 0.71 0.00 0.00 62 L 8.67 4.86 0.00 1.68 1.55 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.48 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.21 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 65 S 7.97 4.35 0.00 3.77 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 66 V 8.52 4.68 2.13 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 0.72 0.00 0.00 0.95 0.00 0.00 67 L 8.88 4.89 0.00 1.57 1.53 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.95 5.31 0.00 3.07 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.01 4.99 0.00 1.55 1.56 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.47 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.53 4.85 0.00 1.57 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.43 4.23 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 73 L 8.37 4.79 0.00 1.60 1.54 0.92 0.85 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 74 R 7.69 4.58 0.00 1.86 1.88 0.00 3.11 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 1.50 1.62 0.00 75 G 7.82 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 0.00 0.00 0.00 76 G 8.69 3.72 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 0.00 0.00 0.00