NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3526 8.3344 115.2898 59.6064 64.3333 174.1141 3 T 2.8275 9.3162 122.6814 60.4359 67.6488 171.7173 4 N 4.2533 8.5769 110.0172 53.8922 38.6108 171.2066 5 P 5.1154 0.0000 0.0000 62.1900 30.7040 178.1526 6 K 4.5361 8.7799 113.0744 55.3218 34.3712 175.8324 7 P 3.9438 0.0000 0.0000 63.8953 33.2553 174.0620 8 Q 4.2507 8.5522 112.6975 57.3821 30.9739 176.7137 9 R 4.0412 7.5962 111.8625 56.5164 30.7268 177.0898 10 K 4.1552 8.1287 115.6706 57.2621 35.5258 172.2352 11 T 4.5056 8.0475 119.7267 63.0079 76.4400 174.4884 12 K 4.0749 8.7438 126.5948 57.3019 32.4916 177.0208 13 R 4.7389 8.2574 118.7618 55.7479 32.6961 175.8763 14 N 4.3715 7.6358 118.4001 53.6207 43.7294 176.2105 15 T 4.3814 8.0429 118.0911 62.2737 70.7439 172.9096 16 N 4.0437 8.6325 120.8372 53.5871 38.9099 174.5661 17 R 4.1363 9.7474 121.3244 56.1979 29.4403 175.5434 18 R 4.4970 7.6607 114.5789 56.8893 32.4249 173.4965 19 P 4.8736 0.0000 0.0000 62.3436 32.8954 174.2373 20 Q 4.4180 7.9334 114.3900 56.7256 30.5545 170.7944 21 D 4.2427 8.6011 122.9031 55.2583 37.0762 174.5498 22 V 3.1114 8.7544 127.9037 69.3725 31.2218 177.4613 23 K 3.9718 7.6497 114.4371 55.6294 35.3589 175.8243 24 F 4.7359 8.6269 110.3831 56.3341 42.2358 171.3486 25 P 4.9394 0.0000 0.0000 60.1325 34.6742 175.7588 26 G 4.2148 9.5330 113.7202 44.1124 0.0000 172.3269 27 G 3.9126 9.0553 107.4790 43.7752 0.0000 175.2109 28 G 3.9716 6.9916 105.9461 46.1578 0.0000 170.9178 29 Q 4.8407 8.9570 120.7932 56.6316 30.5816 175.6665 30 I 4.9546 8.0398 128.9507 61.9248 38.5051 174.9492 31 V 3.8308 7.3981 123.6289 61.8249 32.2431 177.8081 32 G 3.8375 8.7434 107.2196 46.3431 0.0000 171.9744 33 G 3.9005 7.9246 105.0675 45.4777 0.0000 173.3917 34 V 3.8443 7.2861 120.0170 62.6553 32.9238 175.7042 35 Y 4.0941 6.9477 117.8739 60.4006 37.0759 176.7071 36 L 4.1407 8.8613 124.9993 54.9601 39.7040 174.3760 37 L 4.3066 8.1289 123.1021 53.8254 43.8473 177.9280 38 P 4.5750 0.0000 0.0000 63.6116 30.9309 177.6462 39 R 4.3924 8.9962 121.9310 54.7747 32.9052 177.8719 40 R 4.1162 8.2733 122.1544 56.1397 28.7675 176.3279 41 G 4.2287 8.3927 107.1481 43.6705 0.0000 169.2568 42 P 4.3015 0.0000 0.0000 62.9218 31.6693 172.1398 43 R 3.6309 9.0478 124.8815 56.6399 30.0682 171.9188 44 L 3.5226 8.9410 132.1382 55.0990 43.0843 174.2476 45 G 4.3581 8.8306 113.4114 46.1870 0.0000 172.5718 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 2 S 8.33 4.35 0.00 3.85 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 3 T 9.32 2.83 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 4 N 8.58 4.25 0.00 2.86 2.79 0.00 0.00 6.85 7.69 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 5 P 0.00 5.12 0.00 2.22 1.15 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 6 K 8.78 4.54 0.00 1.70 1.77 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 P 0.00 3.94 0.00 2.25 2.13 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 8 Q 8.55 4.25 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 5.77 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 R 7.60 4.04 0.00 1.94 2.03 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 10 K 8.13 4.16 0.00 1.99 2.03 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.46 7.81 11 T 8.05 4.51 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 12 K 8.74 4.07 0.00 1.71 1.60 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 13 R 8.26 4.74 0.00 1.85 1.95 0.00 3.07 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 14 N 7.64 4.37 0.00 2.65 2.43 0.00 0.00 6.81 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 15 T 8.04 4.38 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 1.24 0.00 0.00 16 N 8.63 4.04 0.00 2.26 2.32 0.00 0.00 6.49 7.66 0.00 0.00 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 R 9.75 4.14 0.00 1.79 2.28 0.00 3.14 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 18 R 7.66 4.50 0.00 1.72 1.81 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 19 P 0.00 4.87 0.00 2.18 2.10 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 20 Q 7.93 4.42 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.12 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 21 D 8.60 4.24 0.00 2.92 2.88 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 22 V 8.75 3.11 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 0.71 0.00 0.00 0.93 0.00 0.00 23 K 7.65 3.97 0.00 1.88 1.90 0.00 2.04 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 24 F 8.63 4.74 0.00 2.95 2.96 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 25 P 0.00 4.94 0.00 2.15 2.04 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 26 G 9.53 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.06 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 6.99 3.97 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 0.00 0.00 0.00 29 Q 8.96 4.84 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.60 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 30 I 8.04 4.95 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.43 0.88 0.00 0.00 31 V 7.40 3.83 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 0.81 0.00 0.00 0.95 0.00 0.00 32 G 8.74 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 33 G 7.92 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 0.00 0.00 0.00 34 V 7.29 3.84 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 0.39 0.00 0.00 0.87 0.00 0.00 35 Y 6.95 4.09 0.00 3.00 2.86 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 36 L 8.86 4.14 0.00 1.72 2.08 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.13 4.31 0.00 1.63 1.60 0.92 1.12 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 38 P 0.00 4.58 0.00 2.02 1.42 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 39 R 9.00 4.39 0.00 1.71 1.66 0.00 3.26 0.00 0.00 3.12 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 40 R 8.27 4.12 0.00 1.92 1.68 0.00 3.38 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 41 G 8.39 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 42 P 0.00 4.30 0.00 2.05 2.06 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 43 R 9.05 3.63 0.00 1.96 1.95 0.00 3.48 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 44 L 8.94 3.52 0.00 1.77 1.69 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.83 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00