NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.4257 8.1933 115.4076 57.8858 64.9219 174.0571 35 S 4.4745 7.5798 117.5986 58.0411 63.1139 174.2206 36 G 3.7912 7.8131 110.2825 46.9724 0.0000 176.1805 37 R 4.0892 7.5896 115.5153 58.1261 29.8962 177.3122 38 F 5.0863 7.9959 116.9161 57.2500 40.3424 176.8568 39 G 3.8611 7.4294 108.2350 47.1066 0.0000 174.5796 40 A 4.3774 8.6208 127.7837 52.1166 18.8986 177.2616 41 R 4.0673 7.2202 116.6402 56.2245 31.4820 176.5677 42 Y 3.9316 8.3289 117.6740 57.7302 36.5941 170.6175 43 G 3.9418 7.9334 103.9117 44.5823 0.0000 173.3214 44 R 3.9695 8.0061 116.7843 59.0120 29.8327 179.0936 45 V 3.6144 7.7662 116.9550 66.6968 30.4264 178.7493 46 S 4.1479 8.1483 114.3348 60.8115 62.4926 175.6416 47 R 4.2713 7.7713 115.9226 56.5050 29.7695 177.7046 48 R 4.1342 7.9937 120.3382 58.9056 30.2878 178.1221 49 R 4.0725 7.9724 117.2436 58.4254 30.0724 178.7882 50 V 3.6783 7.3625 118.2870 65.1753 31.4733 177.8925 51 A 4.2198 7.4640 121.9796 54.5317 18.1182 179.5172 52 E 3.9411 8.1964 117.1923 59.6709 29.3502 179.6742 53 I 3.7948 7.2989 118.4072 63.9249 37.5161 177.6437 54 E 4.2900 8.1833 118.3509 57.8011 28.5521 178.4608 55 S 4.2676 7.8934 113.7716 60.2921 62.2835 174.4449 56 E 4.4015 7.6993 120.1838 56.1815 29.5055 175.4509 57 M 4.9195 7.9811 116.8224 57.4866 33.9198 176.1632 58 N 4.7348 7.9719 112.1710 53.4798 38.9462 174.9967 59 E 4.1115 7.3269 116.6919 55.6168 30.3256 175.8892 60 D 4.5458 8.3855 122.8800 54.2472 41.0975 175.5891 61 H 5.1159 8.4791 121.2455 53.6288 31.7653 173.8914 62 A 4.5248 8.5340 124.2626 52.0217 17.9777 176.5838 63 C 4.4219 8.6269 122.9922 58.2556 32.4659 173.0707 64 P 4.1674 0.0000 0.0000 64.8246 31.1030 177.2727 65 N 4.3555 7.0452 116.2306 55.0047 40.1298 175.9455 66 C 4.7828 7.2955 111.7428 57.6483 28.3688 175.4130 67 G 4.0714 8.4841 103.7198 45.9926 0.0000 172.4725 68 E 4.0292 7.8490 120.3722 55.5947 30.7152 176.7246 69 D 5.3436 8.0029 123.8895 52.8090 38.9472 176.4971 70 R 4.7305 7.5568 113.7266 55.8000 33.2026 176.3282 71 V 4.7851 8.1501 119.7549 62.4026 32.3257 174.8419 72 D 5.3439 9.3211 127.3851 52.3781 44.8444 175.2598 73 R 3.5937 8.3648 120.2039 55.6004 30.8710 176.0620 74 Q 4.3070 7.9160 123.3774 56.7591 31.0583 175.9595 75 G 3.7199 6.5515 103.9059 46.0184 0.0000 172.4802 76 T 3.8649 8.4626 119.7104 65.2678 67.7655 174.7000 77 G 4.3330 8.5776 116.4051 45.7169 0.0000 171.2274 78 I 4.5683 6.7568 120.2036 59.8520 38.6924 175.0439 79 W 4.9249 8.7529 126.7007 54.9590 32.9564 174.3151 80 Q 5.6629 9.0254 122.2041 55.3689 32.4357 172.5370 81 C 5.3154 8.9611 126.1216 58.1095 33.0445 174.2007 82 S 4.3994 8.8386 120.0872 59.8500 62.5151 174.3906 83 Y 4.4335 7.5505 122.7053 58.7754 38.6841 174.8020 84 C 4.3419 8.0457 111.1777 57.3904 30.3646 173.7576 85 D 4.3441 7.7831 117.5609 55.8362 38.5727 173.2155 86 Y 4.5717 7.5804 118.6024 57.2274 39.4115 173.9356 87 K 4.9249 8.5299 129.4256 55.0657 33.4754 175.2278 88 F 5.0846 9.2400 122.2790 55.3977 42.1812 173.1442 89 T 4.8926 8.6840 109.0931 60.6933 70.0391 174.7169 90 G 3.9603 8.0940 111.9067 45.3128 0.0000 171.7033 91 G 4.0867 8.4012 111.0658 44.7909 0.0000 174.8561 92 S 3.9638 8.4744 114.6422 60.9597 62.6533 175.2889 93 Y 5.0322 7.6592 113.9404 57.2649 40.2973 175.5614 94 K 4.6023 7.9488 119.2273 53.6950 34.6309 175.1908 95 P 3.0464 0.0000 0.0000 63.8100 31.7497 175.7790 96 E 4.5661 7.5054 118.3015 54.8183 33.0846 174.7533 97 T 4.5654 8.1824 113.5794 59.2537 70.8727 173.9824 98 P 4.2895 0.0000 0.0000 65.2999 31.7747 178.0046 99 G 3.8075 8.0824 106.5518 47.2599 0.0000 175.8866 100 G 3.7557 8.0835 106.8414 47.0266 0.0000 175.5903 101 K 3.8786 7.9399 119.4136 58.5117 32.5438 178.7334 102 T 3.8595 7.4269 114.6896 65.6691 68.2129 176.9971 103 V 3.7709 7.1475 120.1096 65.6329 31.8112 177.5066 104 R 4.0908 7.4356 118.1136 59.0733 30.2172 178.3517 105 R 4.0282 7.6356 115.5984 59.0207 30.2413 176.7880 106 S 4.3623 7.8997 114.9389 58.3896 63.3499 173.7285 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 34 S 8.19 4.43 0.00 3.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.47 0.00 4.05 4.02 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 36 G 7.81 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 0.00 0.00 0.00 37 R 7.59 4.09 0.00 1.82 1.94 0.00 2.73 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.00 38 F 8.00 5.09 0.00 3.41 3.33 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 39 G 7.43 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 40 A 8.62 4.38 1.25 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 0.00 0.00 0.00 41 R 7.22 4.07 0.00 1.04 0.74 0.00 2.80 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 42 Y 8.33 3.93 0.00 3.04 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 43 G 7.93 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.01 3.97 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.28 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 45 V 7.77 3.61 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 1.07 0.00 0.00 0.94 0.00 0.00 46 S 8.15 4.15 0.00 4.05 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 47 R 7.77 4.27 0.00 2.37 2.41 0.00 2.96 0.00 0.00 3.44 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 48 R 7.99 4.13 0.00 2.06 1.99 0.00 3.10 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 1.74 1.67 0.00 49 R 7.97 4.07 0.00 2.05 1.94 0.00 3.16 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 50 V 7.36 3.68 2.23 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 1.14 0.00 0.00 1.00 0.00 0.00 51 A 7.46 4.22 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 52 E 8.20 3.94 0.00 2.05 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 2.34 2.50 0.00 53 I 7.30 3.79 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 1.52 0.45 0.50 0.00 0.00 54 E 8.18 4.29 0.00 2.13 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 2.28 2.31 0.00 55 S 7.89 4.27 0.00 4.00 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 56 E 7.70 4.40 0.00 2.11 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 2.34 2.27 0.00 57 M 7.98 4.92 0.00 2.12 2.41 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 2.99 2.69 0.00 58 N 7.97 4.73 0.00 2.80 2.87 0.00 0.00 7.04 8.02 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 59 E 7.33 4.11 0.00 2.15 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 2.28 2.27 0.00 60 D 8.39 4.55 0.00 2.68 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 61 H 8.48 5.12 0.00 3.09 3.11 0.00 5.62 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 62 A 8.53 4.52 1.22 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 0.00 0.00 63 C 8.63 4.42 0.00 3.17 2.84 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 64 P 0.00 4.17 0.00 1.85 1.92 0.00 3.40 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 1.28 1.88 0.00 65 N 7.05 4.36 0.00 2.50 2.65 0.00 0.00 6.92 7.54 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 66 C 7.30 4.78 0.00 3.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.48 4.07 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 0.00 0.00 0.00 68 E 7.85 4.03 0.00 1.75 1.72 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 1.82 2.16 0.00 69 D 8.00 5.34 0.00 2.54 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 70 R 7.56 4.73 0.00 1.79 1.96 0.00 3.03 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 71 V 8.15 4.79 2.32 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 1.18 0.00 0.00 1.24 0.00 0.00 72 D 9.32 5.34 0.00 2.65 2.55 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 73 R 8.36 3.59 0.00 1.12 1.45 0.00 2.97 0.00 0.00 2.97 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 74 Q 7.92 4.31 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 75 G 6.55 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 76 T 8.46 3.86 4.15 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 1.08 0.00 0.00 77 G 8.58 4.33 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 0.00 78 I 6.76 4.57 1.63 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 1.11 0.64 0.77 0.00 0.00 79 W 8.75 4.92 0.00 1.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 9.03 5.66 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 81 C 8.96 5.32 0.00 3.34 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.84 4.40 0.00 4.13 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 83 Y 7.55 4.43 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.05 4.34 0.00 3.08 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 85 D 7.78 4.34 0.00 2.90 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 86 Y 7.58 4.57 0.00 3.11 3.01 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 87 K 8.53 4.92 0.00 1.80 1.66 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.38 7.81 88 F 9.24 5.08 0.00 2.96 2.31 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 89 T 8.68 4.89 4.28 0.00 0.00 0.00 0.00 0.00 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 90 G 8.09 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 91 G 8.40 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.47 3.96 0.00 3.00 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 93 Y 7.66 5.03 0.00 3.04 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 94 K 7.95 4.60 0.00 1.76 1.67 0.00 1.68 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.48 7.81 95 P 0.00 3.05 0.00 1.73 0.59 0.00 3.09 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.14 0.00 96 E 7.51 4.57 0.00 1.82 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 2.19 2.24 0.00 97 T 8.18 4.57 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 98 P 0.00 4.29 0.00 2.07 2.17 0.00 3.68 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 2.09 0.00 99 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.08 3.76 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 0.00 0.00 0.00 101 K 7.94 3.88 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.68 7.81 102 T 7.43 3.86 4.34 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 1.21 0.00 0.00 103 V 7.15 3.77 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 0.76 0.00 0.00 1.00 0.00 0.00 104 R 7.44 4.09 0.00 1.82 1.97 0.00 3.22 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 105 R 7.64 4.03 0.00 2.08 1.99 0.00 3.15 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 106 S 7.90 4.36 0.00 3.97 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