NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3672 8.2393 117.2887 56.3644 30.9570 175.9335 2 I 3.4848 7.8452 113.6508 63.5612 37.9411 174.3819 3 Y 3.6487 8.0186 125.2769 57.9347 39.0324 171.5653 4 K 4.1566 8.4029 117.0097 59.6317 33.2180 178.2035 5 G 3.9991 7.7249 108.4317 44.5631 0.0000 173.4871 6 V 4.0027 7.1251 113.2668 60.2840 35.1277 176.3246 7 I 3.6787 8.1212 112.4749 64.9325 37.3837 177.9144 8 Q 3.9172 8.1486 119.2305 58.5427 28.1090 178.0194 9 A 3.8936 7.4797 122.4005 55.3581 18.1409 179.5041 10 I 3.6177 8.0073 118.5330 64.3843 36.9953 177.8800 11 Q 3.8465 9.2218 121.6745 58.9612 28.7192 178.6569 12 K 3.3883 8.1284 120.2247 60.2957 32.1755 179.0074 13 S 4.1049 8.6793 115.5644 61.3070 62.5698 176.0159 14 D 4.3833 8.6794 121.8960 56.8076 41.0834 177.3621 15 E 4.2081 7.9665 116.9740 55.9903 30.8825 176.9498 16 G 3.9824 7.5617 105.6065 45.8925 0.0000 172.5753 17 H 4.1585 7.8962 116.2598 55.4540 29.8095 172.8642 18 P 4.3746 0.0000 0.0000 62.9121 31.9088 175.9586 19 F 4.5895 8.1379 126.0029 57.0798 43.1541 176.2948 20 R 4.1369 7.8530 117.4116 59.2211 28.9315 178.3157 21 A 3.9702 8.0059 120.3617 55.3117 18.5875 178.7098 22 Y 4.2833 7.8241 114.9321 60.7789 37.8845 177.8905 23 L 4.0071 7.9973 121.0009 58.3692 42.2934 178.4181 24 E 3.9654 8.2692 119.0204 59.3784 29.3141 178.5266 25 S 4.4467 8.2232 113.1721 60.8770 62.2818 175.7518 26 E 3.9611 8.7793 120.7262 59.5743 28.8479 179.3429 27 V 3.6475 8.3357 119.4551 65.4358 31.5548 178.0093 28 A 4.0280 7.7904 120.5080 55.1002 17.8396 179.3464 29 I 3.6806 8.0570 112.0655 64.4129 37.3341 178.3343 30 S 4.4342 8.1139 116.8582 61.4631 62.5248 176.4639 31 E 3.9436 7.8606 121.7546 59.1454 29.3974 178.5253 32 E 3.9473 8.2386 119.4535 59.0139 29.5193 178.0819 33 L 3.9155 8.9175 119.8813 58.6374 42.2909 179.0189 34 V 3.7578 7.5838 117.7788 66.1317 31.4359 177.9481 35 Q 4.4256 7.9527 117.7465 58.5364 28.2770 178.5110 36 K 4.0166 8.6577 120.5929 59.2467 31.9213 178.4164 37 Y 3.8969 7.9680 117.9706 60.4999 37.4416 178.9373 38 S 3.2045 7.3693 116.7387 61.4901 62.7737 176.4387 39 N 4.3112 9.1143 120.1850 55.9562 38.0327 177.2421 40 S 4.1506 7.9219 114.5711 60.5093 62.9370 175.8544 41 A 4.0826 7.6184 124.4567 54.7406 19.0175 177.9828 42 L 4.1951 7.8899 118.1986 54.5075 41.0712 176.9948 43 G 4.2970 7.6134 115.0088 45.1052 0.0000 171.9096 44 H 5.0176 7.1618 124.2846 55.2924 31.6395 172.8475 45 V 4.3621 7.2015 123.8386 62.7132 39.7561 175.0688 46 N 4.3570 7.8291 116.9903 56.1549 39.1300 177.0489 47 C 4.0620 8.0677 118.1634 62.5850 31.5471 175.3200 48 T 3.9147 7.4683 113.9010 65.2128 66.7292 176.1089 49 I 3.8224 8.0953 122.2160 64.0014 37.2433 178.2039 50 K 3.9461 7.8511 119.0473 59.7033 31.6036 178.7412 51 E 4.0167 7.7116 117.3010 59.3403 29.3454 179.1340 52 L 4.1375 8.1825 118.6052 58.0954 41.8504 179.3031 53 R 3.9383 8.0310 115.8306 57.6337 30.1068 176.6393 54 R 4.1004 7.6436 121.7575 56.7830 31.6934 175.3066 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 1 R 8.24 4.37 0.00 2.07 2.14 0.00 3.19 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 2 I 7.85 3.48 1.91 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 1.40 0.33 0.94 0.00 0.00 3 Y 8.02 3.65 0.00 3.41 3.08 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 0.00 0.00 0.00 0.00 4 K 8.40 4.16 0.00 1.95 1.99 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 G 7.72 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 6 V 7.13 4.00 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 0.74 0.00 0.00 1.02 0.00 0.00 7 I 8.12 3.68 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.01 0.89 0.00 0.00 8 Q 8.15 3.92 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 9 A 7.48 3.89 1.47 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 0.00 0.00 10 I 8.01 3.62 1.99 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 0.70 0.90 0.00 0.00 11 Q 9.22 3.85 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 12 K 8.13 3.39 0.00 1.75 2.06 0.00 1.35 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.41 7.81 13 S 8.68 4.10 0.00 4.02 4.16 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 0.00 0.00 0.00 0.00 14 D 8.68 4.38 0.00 2.66 2.75 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 0.00 0.00 0.00 15 E 7.97 4.21 0.00 2.14 1.98 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 2.34 2.30 0.00 16 G 7.56 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 17 H 7.90 4.16 0.00 3.03 3.01 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.37 0.00 2.26 2.02 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 19 F 8.14 4.59 0.00 3.09 2.97 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 0.00 0.00 0.00 20 R 7.85 4.14 0.00 2.10 2.26 0.00 3.26 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 21 A 8.01 3.97 1.11 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 0.00 0.00 0.00 0.00 0.00 22 Y 7.82 4.28 0.00 3.21 2.81 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 23 L 8.00 4.01 0.00 1.80 1.95 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.27 3.97 0.00 2.10 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 2.32 2.35 0.00 25 S 8.22 4.45 0.00 4.12 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 26 E 8.78 3.96 0.00 2.21 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 2.45 2.34 0.00 27 V 8.34 3.65 2.15 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 1.00 0.00 0.00 0.97 0.00 0.00 28 A 7.79 4.03 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 29 I 8.06 3.68 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 1.63 0.81 0.96 0.00 0.00 30 S 8.11 4.43 0.00 4.11 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 31 E 7.86 3.94 0.00 2.07 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 0.00 2.32 2.37 0.00 32 E 8.24 3.95 0.00 2.25 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 0.00 2.33 2.34 0.00 33 L 8.92 3.92 0.00 1.92 1.73 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.58 3.76 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 0.89 0.00 0.00 0.97 0.00 0.00 35 Q 7.95 4.43 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 36 K 8.66 4.02 0.00 1.97 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.62 7.81 37 Y 7.97 3.90 0.00 3.16 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.37 3.20 0.00 3.76 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 39 N 9.11 4.31 0.00 2.78 2.87 0.00 0.00 6.77 7.42 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 40 S 7.92 4.15 0.00 4.01 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 41 A 7.62 4.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.20 0.00 1.63 1.66 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.61 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 44 H 7.16 5.02 0.00 3.23 3.31 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.20 4.36 2.05 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 0.79 0.00 0.00 0.91 0.00 0.00 46 N 7.83 4.36 0.00 2.86 2.85 0.00 0.00 6.67 7.64 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 47 C 8.07 4.06 0.00 2.98 2.83 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 0.00 0.00 0.00 48 T 7.47 3.91 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 1.22 0.00 0.00 49 I 8.10 3.82 2.04 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 1.52 0.45 0.92 0.00 0.00 50 K 7.85 3.95 0.00 2.05 1.90 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.71 1.73 7.81 51 E 7.71 4.02 0.00 2.08 2.05 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 2.38 2.48 0.00 52 L 8.18 4.14 0.00 1.72 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.03 3.94 0.00 1.93 2.01 0.00 3.53 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 1.65 1.65 0.00 54 R 7.64 4.10 0.00 2.04 1.85 0.00 3.46 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00