NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.1750 8.3149 121.7884 55.7534 33.3548 174.7475 13 T 3.6378 8.4792 117.5063 63.1771 67.9618 171.8109 14 P 4.2148 0.0000 0.0000 64.8612 32.7380 175.5872 15 E 4.5650 6.8707 113.9319 54.5694 32.1537 174.3632 16 E 5.3687 8.1801 125.6087 55.4269 31.9199 174.4924 17 P 4.4862 0.0000 0.0000 61.9386 33.5544 173.9998 18 K 4.1124 8.1686 119.8810 55.9472 32.6666 174.9557 19 E 5.5626 8.4597 131.6358 54.4224 27.2334 178.1895 20 E 5.7928 6.8779 129.3007 56.6474 30.4449 176.2435 21 V 4.6741 7.8603 116.1797 61.4761 35.7000 173.4347 22 T 5.1708 8.7039 117.5382 59.9811 71.0590 173.4297 23 I 4.7749 8.6388 125.6473 59.3940 40.2571 174.9167 24 K 4.3489 8.9726 127.8748 56.1272 33.5042 176.5077 25 V 4.8654 8.6567 123.8422 61.2610 35.4212 173.4932 26 N 5.2933 9.2243 125.3394 51.8253 41.0496 174.1290 27 L 4.5126 9.0989 125.5400 53.5490 42.1376 174.4779 28 I 4.6936 8.7688 123.6679 60.3566 37.1209 175.3848 29 F 4.6452 9.2049 125.7179 56.9796 39.5504 176.0618 30 A 4.3335 8.5217 120.8792 55.4249 18.4808 179.8965 31 D 4.3248 8.5714 113.4000 55.2193 39.2230 176.4324 32 G 3.6469 7.5326 108.6997 45.4739 0.0000 174.4599 33 K 4.2863 9.5060 121.6338 56.8762 33.6285 176.7603 34 I 5.4431 8.0136 121.4647 61.8517 39.7223 173.7844 35 Q 4.7275 8.9970 128.9138 55.0536 31.3648 174.7712 36 T 5.2408 8.3558 115.9082 62.1796 72.1225 173.1869 37 A 4.6686 8.8431 124.6807 50.9262 23.4183 174.8003 38 E 5.2611 8.0118 116.8640 53.7230 33.6519 175.3922 39 F 4.9175 8.8437 120.2180 55.9118 43.3662 173.9081 40 K 5.8990 8.4417 119.1572 55.0715 36.8702 175.5790 41 G 3.7342 8.5818 106.3301 44.5937 0.0000 173.4965 42 T 4.3385 8.4574 110.6509 61.0384 69.3061 175.0373 43 F 4.2745 9.0703 125.0548 61.9203 39.1678 176.5215 44 E 3.8665 8.0762 120.1279 57.6397 28.8336 179.7623 45 E 3.2752 7.9230 114.9391 57.4596 30.3202 179.0543 46 A 4.0957 8.1659 120.9602 56.1956 18.9352 179.5917 47 T 3.7019 7.5259 112.3179 66.7959 68.4441 176.5433 48 A 3.7803 7.9454 122.1647 55.3091 18.3165 179.2692 49 E 3.8362 8.8624 117.5013 59.8375 29.4815 179.1187 50 A 2.8578 8.0112 120.6063 55.1869 18.1987 179.0087 51 Y 3.5382 8.2905 113.8694 61.3285 37.8117 179.0436 52 R 3.9871 8.9825 119.6874 59.7215 30.0040 178.0475 53 Y 4.3517 8.9458 119.1608 61.0189 39.1455 177.8331 54 A 3.7119 8.3460 121.5448 55.2055 18.0477 179.4911 55 A 4.2908 8.1434 118.6682 55.2989 18.6519 179.7348 56 L 4.2539 8.6843 113.5428 56.4692 41.7582 177.4515 57 H 4.6424 8.8725 118.2286 56.9713 32.8870 175.4461 58 A 4.3320 7.8418 122.7305 51.1850 18.4236 177.5386 59 K 3.8544 8.3502 108.5970 56.3085 30.7974 176.4405 60 V 5.3825 6.6479 130.5488 62.9479 30.1499 172.1203 61 N 4.8816 7.9213 115.8123 52.5097 40.0057 173.7691 62 G 4.2258 8.2600 105.0180 44.2867 0.0000 172.7590 63 E 4.7683 8.4997 117.6895 55.6113 31.0564 176.0558 64 W 4.9363 8.0896 117.8449 54.8103 30.8480 174.5343 65 T 4.3232 8.4340 116.6878 60.4819 69.7559 173.2016 66 A 4.6427 7.9764 131.1371 53.1845 21.5591 174.6898 67 D 4.5084 8.0457 110.7019 54.3384 44.4326 176.7594 68 L 5.1873 8.8157 126.2208 53.4622 44.0256 175.3385 69 E 4.2307 8.5755 121.7243 56.1146 33.4140 172.8191 70 D 4.7519 9.8999 122.3418 53.5767 39.4996 174.4570 71 G 4.0481 8.6515 108.9279 45.1130 0.0000 173.1269 72 G 3.9796 8.4482 103.8322 46.5814 0.0000 174.8807 73 N 5.0194 8.3429 116.9460 53.2046 42.4595 174.7966 74 H 5.3034 8.2465 117.9650 54.3090 33.3245 171.9748 75 M 5.0816 9.1430 125.4835 53.9740 34.7252 174.1725 76 N 4.9325 9.2301 127.1034 52.3274 38.1836 172.0152 77 I 4.2269 8.3835 122.6504 60.1753 38.7113 175.1227 78 K 5.1768 8.9953 127.1468 54.8576 35.2911 175.4429 79 F 5.1633 8.7139 119.3765 55.6676 42.0807 176.3322 80 A 3.8464 9.0489 125.5116 52.9436 19.0515 174.1610 81 G 3.8779 8.6164 112.9197 44.8764 0.0000 173.7593 82 K 4.1747 8.6937 123.3136 56.8593 32.9508 176.6730 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 12 K 8.31 4.17 0.00 1.71 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.53 7.81 13 T 8.48 3.64 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 14 P 0.00 4.21 0.00 2.03 2.10 0.00 3.71 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 2.04 2.12 0.00 15 E 6.87 4.56 0.00 2.03 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 2.18 2.28 0.00 16 E 8.18 5.37 0.00 1.96 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 2.04 2.06 0.00 17 P 0.00 4.49 0.00 2.22 2.08 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 18 K 8.17 4.11 0.00 1.87 2.04 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.39 7.81 19 E 8.46 5.56 0.00 2.06 1.85 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 2.08 2.10 0.00 20 E 6.88 5.79 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 21 V 7.86 4.67 2.38 0.00 0.00 0.00 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 1.05 0.00 0.00 22 T 8.70 5.17 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 1.24 0.00 0.00 23 I 8.64 4.77 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 1.00 0.00 0.00 24 K 8.97 4.35 0.00 1.59 1.75 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.63 7.81 25 V 8.66 4.87 2.44 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 1.13 0.00 0.00 1.04 0.00 0.00 26 N 9.22 5.29 0.00 2.76 2.77 0.00 0.00 6.59 7.23 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 27 L 9.10 4.51 0.00 1.67 1.31 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.77 4.69 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.49 1.00 0.00 0.00 29 F 9.20 4.65 0.00 2.98 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 A 8.52 4.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.32 0.00 2.78 2.87 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 0.00 0.00 0.00 32 G 7.53 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.51 4.29 0.00 1.55 1.66 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.61 7.81 34 I 8.01 5.44 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.01 1.03 0.00 0.00 35 Q 9.00 4.73 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 36 T 8.36 5.24 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 1.31 0.00 0.00 37 A 8.84 4.67 1.05 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 0.00 0.00 38 E 8.01 5.26 0.00 1.68 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 2.20 2.13 0.00 39 F 8.84 4.92 0.00 2.92 2.87 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 0.00 0.00 0.00 40 K 8.44 5.90 0.00 1.59 1.69 0.00 1.80 0.00 0.00 2.38 0.00 0.00 2.81 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.30 7.81 41 G 8.58 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 42 T 8.46 4.34 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 F 9.07 4.27 0.00 3.05 3.18 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 44 E 8.08 3.87 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 45 E 7.92 3.28 0.00 2.23 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 A 8.17 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 3.70 4.03 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 0.94 0.00 0.00 48 A 7.95 3.78 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 49 E 8.86 3.84 0.00 2.18 2.21 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 2.38 2.55 0.00 50 A 8.01 2.86 0.95 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 51 Y 8.29 3.54 0.00 3.19 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 52 R 8.98 3.99 0.00 1.96 2.08 0.00 3.34 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 53 Y 8.95 4.35 0.00 3.06 3.25 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 54 A 8.35 3.71 -0.30 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 55 A 8.14 4.29 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.68 4.25 0.00 1.60 1.81 1.02 1.09 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 57 H 8.87 4.64 0.00 2.28 3.09 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.84 4.33 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.85 0.00 1.92 1.83 0.00 2.00 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 V 6.65 5.38 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 0.93 0.00 0.00 61 N 7.92 4.88 0.00 2.68 2.96 0.00 0.00 7.37 7.58 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 0.00 63 E 8.50 4.77 0.00 1.92 1.74 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 2.34 2.34 0.00 64 W 8.09 4.94 0.00 2.56 2.28 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 0.00 65 T 8.43 4.32 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 1.14 0.00 0.00 66 A 7.98 4.64 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.51 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 5.19 0.00 1.63 1.64 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.58 4.23 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 70 D 9.90 4.75 0.00 3.04 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.65 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 0.00 0.00 0.00 72 G 8.45 3.98 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 0.00 0.00 0.00 73 N 8.34 5.02 0.00 2.75 2.87 0.00 0.00 6.38 8.16 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 74 H 8.25 5.30 0.00 3.28 3.12 0.00 5.61 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 75 M 9.14 5.08 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 76 N 9.23 4.93 0.00 2.77 2.75 0.00 0.00 7.29 7.97 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 77 I 8.38 4.23 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.53 0.35 0.00 0.00 78 K 9.00 5.18 0.00 1.62 1.72 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 79 F 8.71 5.16 0.00 2.93 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 80 A 9.05 3.85 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.62 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.69 4.17 0.00 1.90 1.83 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.45 7.81