NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2476 8.1576 121.7830 55.9172 33.8844 175.0620 3 V 4.1882 7.2198 116.0475 62.7386 34.4578 168.0620 4 R 4.3701 8.8300 119.9751 57.4116 35.3375 176.1119 5 A 4.3113 8.2764 117.2347 52.3014 21.6229 175.7492 6 S 3.5845 8.4858 109.4636 59.0110 60.0785 170.9341 7 V 4.4977 7.5946 120.7052 60.5273 34.3166 175.2332 8 K 4.4022 8.7356 122.7751 55.9738 33.3208 175.6569 9 R 3.8678 7.8607 118.4726 57.4809 26.5736 176.0842 10 I 2.7869 6.0418 113.8351 61.2795 38.8689 175.5518 11 C 4.8945 7.9835 115.0402 56.3278 32.8465 175.1360 12 D 4.3811 8.6796 120.2590 57.4683 40.7493 178.2386 13 K 3.9870 8.2649 118.1242 59.8773 32.4328 176.8931 14 C 4.9246 7.9405 117.0752 59.7187 25.6501 172.7908 15 K 4.2421 7.6841 121.8035 55.6355 33.8490 177.1453 16 V 3.8718 8.3688 124.1770 63.0865 31.7050 175.7982 17 I 4.0270 7.8877 129.5422 60.2452 37.2816 176.3707 18 R 4.2582 8.2927 127.2936 54.3323 30.5861 175.2688 19 R 4.4875 7.5990 122.4456 55.1178 34.0886 178.2088 20 H 3.7160 9.0642 117.0235 56.7779 31.3337 174.7964 21 G 4.1232 8.6892 108.6458 45.5709 0.0000 173.4788 22 R 4.1253 7.7291 117.7197 56.1202 30.2831 177.1227 23 V 4.1460 8.2065 123.5333 61.5585 29.8490 174.4923 24 Y 4.8507 7.1197 120.1735 55.5145 39.2887 176.3141 25 V 4.2510 8.2251 125.6700 61.8325 33.2442 175.1888 26 I 5.0001 8.9205 123.1696 60.7979 41.4471 174.9338 27 C 5.4832 8.0168 121.7684 57.3647 31.7176 173.0571 28 E 4.0144 8.8698 117.2336 58.8914 29.9509 177.3860 29 N 4.5170 7.9194 118.4007 52.3575 39.1483 173.4065 30 P 4.5367 0.0000 0.0000 63.9178 31.5377 177.0063 31 K 4.3503 7.4878 118.2809 57.7920 32.9872 176.7043 32 H 4.8522 8.3642 115.8342 55.4572 29.0193 174.2110 33 K 4.7477 7.9288 118.1210 55.3469 34.3334 174.9428 34 Q 4.8966 8.4360 119.5703 54.1612 33.6429 175.0009 35 R 4.5941 8.2697 118.7690 55.3082 33.4389 175.2493 36 Q 4.2314 8.3320 124.7217 56.3452 28.6636 175.9110 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 K 8.16 4.25 0.00 1.81 1.98 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 3 V 7.22 4.19 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 0.72 0.00 0.00 0.94 0.00 0.00 4 R 8.83 4.37 0.00 1.73 1.91 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 5 A 8.28 4.31 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 3.58 0.00 3.92 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 7 V 7.59 4.50 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 0.93 0.00 0.00 0.98 0.00 0.00 8 K 8.74 4.40 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 9 R 7.86 3.87 0.00 1.90 2.18 0.00 3.27 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 10 I 6.04 2.79 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.79 0.00 0.00 11 C 7.98 4.89 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.68 4.38 0.00 2.69 2.78 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 13 K 8.26 3.99 0.00 1.79 1.86 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.47 7.81 14 C 7.94 4.92 0.00 3.20 2.94 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 15 K 7.68 4.24 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.66 7.81 16 V 8.37 3.87 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 0.74 0.00 0.00 0.92 0.00 0.00 17 I 7.89 4.03 1.76 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 1.20 0.91 0.80 0.00 0.00 18 R 8.29 4.26 0.00 1.68 1.78 0.00 3.10 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 19 R 7.60 4.49 0.00 1.70 1.69 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 20 H 9.06 3.72 0.00 3.24 3.32 0.00 5.92 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 21 G 8.69 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.73 4.13 0.00 2.36 2.21 0.00 2.88 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 23 V 8.21 4.15 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 1.00 0.00 0.00 0.93 0.00 0.00 24 Y 7.12 4.85 0.00 3.38 3.10 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 0.00 0.00 0.00 0.00 25 V 8.23 4.25 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 1.03 0.00 0.00 26 I 8.92 5.00 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 1.01 0.00 0.00 27 C 8.02 5.48 0.00 2.88 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 28 E 8.87 4.01 0.00 1.94 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 2.28 2.29 0.00 29 N 7.92 4.52 0.00 2.53 2.73 0.00 0.00 7.25 7.71 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 30 P 0.00 4.54 0.00 2.09 2.09 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 31 K 7.49 4.35 0.00 2.05 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.55 7.81 32 H 8.36 4.85 0.00 3.35 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.93 4.75 0.00 1.87 1.94 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 34 Q 8.44 4.90 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 35 R 8.27 4.59 0.00 1.72 1.83 0.00 3.22 0.00 0.00 2.84 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.58 0.00 36 Q 8.33 4.23 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00