NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2833 8.2644 123.5822 52.0657 19.8515 175.4839 2 V 4.3240 7.8926 120.0282 58.6395 34.9227 173.1317 3 Q 4.3374 9.2121 122.1447 56.1369 30.1350 175.2214 4 Q 4.5843 8.4648 115.5757 56.0217 31.1237 176.0906 5 N 4.8727 7.7842 113.5381 50.6813 42.3531 173.4262 6 K 3.7592 8.7451 123.3609 55.9622 31.8597 174.2347 7 P 4.1558 0.0000 0.0000 62.9739 31.6534 177.0143 8 T 3.9159 8.6011 117.6829 62.4441 69.0648 174.2613 9 R 3.9331 8.6868 123.3638 59.6372 29.2118 178.6752 10 S 3.9950 8.0932 113.0882 61.3077 62.1318 175.6683 11 K 3.7867 8.0491 120.5089 59.8961 32.0102 177.6996 12 R 4.0329 7.8280 118.0583 59.9142 29.8499 178.3067 13 G 3.7047 8.1965 104.7686 48.3638 0.0000 175.1755 14 M 4.0368 7.7836 119.5972 57.9503 31.9498 178.3225 15 R 4.1573 7.9476 118.2096 58.4169 30.8016 177.5697 16 R 4.5074 7.9633 116.3216 56.0479 30.1210 178.1043 17 S 4.0704 7.8306 114.2786 61.4845 63.1168 175.2313 18 H 4.6288 7.8727 116.2451 56.6085 29.2040 176.2862 19 D 4.5410 7.7191 116.3355 54.9396 40.3063 176.3285 20 A 4.1930 7.5463 122.5065 52.0122 18.9086 177.3409 21 L 4.5705 8.0305 119.8142 53.6775 43.6096 176.0525 22 T 4.6299 7.8994 112.6045 59.9978 70.5949 175.2642 23 A 4.3273 8.3874 129.4868 52.4032 19.1798 178.2541 24 V 4.2344 8.4479 110.4506 60.7769 32.2625 176.0126 25 T 3.3506 8.8490 107.9583 62.2203 67.6185 169.5897 26 S 4.0935 7.6365 119.7940 58.8253 63.7112 170.9373 27 L 5.1217 8.1377 123.7440 54.6043 42.9028 174.8322 28 S 4.9996 8.0309 110.8980 56.9236 66.4859 174.3422 29 V 4.7331 8.1524 121.7836 59.4225 33.6601 175.0839 30 D 4.5160 8.4450 122.8867 54.4912 41.7974 175.8345 31 K 4.3877 8.3461 120.5171 58.5983 34.2112 178.0716 32 T 4.1000 8.1182 116.2544 65.4618 68.9792 174.2877 33 S 4.6827 7.9589 114.9684 55.9421 65.7265 175.0169 34 G 3.6461 8.5931 109.8219 46.6725 0.0000 173.1407 35 E 3.8349 7.9259 121.1084 56.8003 30.5060 176.2075 36 K 4.3964 8.7124 127.0547 55.9503 33.2698 174.7383 37 H 5.1637 8.4721 123.9518 53.6388 31.9975 172.1168 38 L 4.5704 8.1564 118.9591 53.3361 43.1408 176.0019 39 R 3.9341 8.3624 123.7421 58.7392 30.3081 176.2545 40 H 4.6556 10.3931 117.6230 56.6580 25.8559 174.0628 41 H 3.7978 7.6881 110.2539 55.1460 31.0588 173.4216 42 I 3.6434 6.9996 121.0108 59.0826 38.5978 176.0783 43 T 4.4599 8.2212 119.5971 62.2177 68.5222 175.4868 44 A 4.6263 8.6416 126.4942 52.1124 19.2616 177.3520 45 D 4.6871 8.1024 112.4010 54.1270 41.8847 175.7550 46 G 4.4156 8.6516 107.8056 47.5020 0.0000 173.0856 47 Y 4.9543 7.8381 116.9780 56.8132 41.5835 176.6786 48 Y 4.9086 7.8633 128.8979 58.5186 45.5844 175.7840 49 R 4.4080 8.4544 112.4467 56.5234 30.5867 175.7286 50 G 4.4038 8.3067 104.0665 43.8038 0.0000 173.2982 51 R 3.6270 8.3384 119.8759 57.8946 29.7904 175.6038 52 K 4.3825 7.7381 111.9371 56.1111 32.7062 177.4000 53 V 3.5053 7.4176 113.4708 62.8395 32.4771 172.5854 54 I 3.5013 8.4314 131.7742 60.8178 36.8271 173.5791 55 A 4.2034 8.5478 127.8385 51.2254 19.5987 177.1882 56 K 4.3128 8.4659 117.4377 57.5301 34.2814 174.6022 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 A 8.26 4.28 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 2 V 7.89 4.32 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 0.87 0.00 0.00 0.93 0.00 0.00 3 Q 9.21 4.34 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 4 Q 8.46 4.58 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 5 N 7.78 4.87 0.00 2.64 2.65 0.00 0.00 6.84 7.61 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 6 K 8.75 3.76 0.00 1.71 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 P 0.00 4.16 0.00 2.07 2.03 0.00 3.76 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 2.03 2.16 0.00 8 T 8.60 3.92 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 1.23 0.00 0.00 9 R 8.69 3.93 0.00 2.07 2.19 0.00 3.03 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 10 S 8.09 3.99 0.00 3.90 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 11 K 8.05 3.79 0.00 1.76 2.03 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 R 7.83 4.03 0.00 1.92 2.14 0.00 3.16 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 13 G 8.20 3.70 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 0.00 0.00 0.00 14 M 7.78 4.04 0.00 2.02 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 15 R 7.95 4.16 0.00 1.80 2.12 0.00 3.25 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 16 R 7.96 4.51 0.00 2.00 1.92 0.00 3.19 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 17 S 7.83 4.07 0.00 3.81 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 18 H 7.87 4.63 0.00 3.22 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.72 4.54 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.19 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 21 L 8.03 4.57 0.00 1.64 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.90 4.63 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 23 A 8.39 4.33 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 24 V 8.45 4.23 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 0.98 0.00 0.00 0.96 0.00 0.00 25 T 8.85 3.35 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 26 S 7.64 4.09 0.00 4.12 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 27 L 8.14 5.12 0.00 1.60 1.65 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.03 5.00 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.15 4.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 30 D 8.45 4.52 0.00 2.56 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 31 K 8.35 4.39 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.38 7.81 32 T 8.12 4.10 4.65 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 1.43 0.00 0.00 33 S 7.96 4.68 0.00 3.42 3.09 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 34 G 8.59 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 35 E 7.93 3.83 0.00 1.72 1.84 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 2.16 2.50 0.00 36 K 8.71 4.40 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 H 8.47 5.16 0.00 3.17 3.39 0.00 5.30 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.16 4.57 0.00 1.71 1.71 0.98 0.88 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 39 R 8.36 3.93 0.00 1.83 1.96 0.00 3.54 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 40 H 10.39 4.66 0.00 3.19 3.45 0.00 5.98 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.69 3.80 0.00 3.01 3.00 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.00 3.64 1.81 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 1.38 0.75 0.92 0.00 0.00 43 T 8.22 4.46 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 1.29 0.00 0.00 44 A 8.64 4.63 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 45 D 8.10 4.69 0.00 3.02 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 46 G 8.65 4.42 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 0.00 47 Y 7.84 4.95 0.00 3.11 3.11 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 48 Y 7.86 4.91 0.00 2.91 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 0.00 0.00 0.00 49 R 8.45 4.41 0.00 1.52 1.68 0.00 2.66 0.00 0.00 2.80 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 50 G 8.31 4.40 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 0.00 0.00 0.00 51 R 8.34 3.63 0.00 1.87 1.90 0.00 3.39 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 52 K 7.74 4.38 0.00 1.10 1.42 0.00 1.49 0.00 0.00 2.24 0.00 0.00 3.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.95 0.21 7.81 53 V 7.42 3.51 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 0.75 0.00 0.00 1.03 0.00 0.00 54 I 8.43 3.50 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 1.34 0.33 0.91 0.00 0.00 55 A 8.55 4.20 1.24 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 0.00 0.00 0.00 56 K 8.47 4.31 0.00 1.94 1.94 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.48 7.81