NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4515 8.3049 120.3231 54.2205 33.1704 175.2143 8 P 4.1799 0.0000 0.0000 62.1360 32.0224 174.9291 9 Q 4.2239 8.5410 120.9910 55.5953 30.4535 175.4679 10 V 4.1759 7.9341 119.2232 61.0382 33.8519 174.6595 11 N 4.5236 8.7558 126.3904 52.5282 38.3704 173.6190 12 L 4.3474 8.0139 125.9815 53.0608 43.0837 176.7858 13 R 4.5070 8.4417 121.7683 54.2353 31.5549 174.8876 14 W 5.2564 8.3025 121.8004 53.6050 33.1173 173.7688 15 P 4.1759 0.0000 0.0000 63.0727 31.5960 176.9463 16 R 4.0019 9.1785 125.1397 60.4880 29.8735 178.8555 17 E 3.9769 8.3474 117.3524 61.4181 29.4226 181.1365 18 V 3.8348 7.9773 118.6769 65.7356 31.5669 178.1669 19 L 4.1359 8.0087 118.2351 58.0491 41.5158 178.8896 20 D 4.3843 8.2796 118.8199 57.4274 40.7174 178.7329 21 L 3.9148 7.7729 120.2266 58.1904 41.9949 179.1292 22 V 3.6335 8.1211 118.4377 66.1828 31.4352 178.2238 23 R 3.9227 8.7392 118.7434 59.1070 29.9283 178.9974 24 K 3.9384 8.8451 120.0473 59.4511 32.2171 179.1147 25 V 3.5854 8.1190 118.5280 65.8133 31.4591 177.7635 26 A 4.3102 8.3875 124.6852 55.2175 18.1048 179.8681 27 E 3.9260 8.3125 117.0395 61.4821 29.5838 181.1360 28 E 4.2435 8.0322 117.4339 59.0181 29.7955 178.0228 29 N 4.7252 8.5079 114.8734 52.6506 38.5729 175.2895 30 G 3.9119 7.8578 108.5688 46.2284 0.0000 173.4955 31 R 4.6755 7.8161 115.3519 53.0600 32.9538 174.9751 32 S 4.4802 8.2095 112.7201 57.7809 65.3024 175.1569 33 V 3.6174 8.1455 121.3995 66.0284 30.8030 177.5184 34 N 4.2406 8.1476 116.4971 56.4236 38.6214 176.1091 35 S 4.2236 8.1601 114.9157 59.2532 62.8168 175.9428 36 E 4.0726 7.9449 122.9861 59.2508 29.6604 177.8533 37 I 3.7756 8.1103 120.0618 64.6635 37.1161 177.4803 38 Y 4.1102 7.6813 119.6050 61.0357 38.6675 178.3008 39 Q 3.9447 7.9980 119.9315 59.5378 29.2222 178.8202 40 R 3.8823 8.0033 118.8840 59.0400 30.1667 179.3719 41 V 3.2610 8.2294 118.4205 66.1453 31.5564 177.9113 42 M 3.9751 8.3614 119.0442 58.4140 31.8476 178.3303 43 E 3.9148 8.2266 119.6268 59.3478 29.9261 179.0906 44 S 4.1716 7.8236 113.9779 61.0981 62.9822 176.5997 45 F 4.6991 7.7847 121.4416 60.3593 38.7031 177.6369 46 K 3.9616 8.2756 118.1730 59.6516 31.7253 179.4202 47 K 4.0262 7.6944 116.4194 59.4223 32.0646 177.9037 48 E 4.1916 7.7467 115.0784 56.2912 29.7430 176.9389 49 G 3.8689 8.3270 107.3244 46.7125 0.0000 174.6074 50 R 4.3126 8.0381 116.6659 55.9867 30.4146 176.2271 51 I 4.4993 7.1417 117.4039 60.0215 41.3066 174.8857 52 G 3.7509 8.5011 109.7593 45.9499 0.0000 173.8778 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 7 M 8.30 4.45 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 8 P 0.00 4.18 0.00 2.12 1.98 0.00 3.67 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 2.16 0.00 9 Q 8.54 4.22 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 10 V 7.93 4.18 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 0.94 0.00 0.00 11 N 8.76 4.52 0.00 2.69 2.71 0.00 0.00 7.17 7.78 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 12 L 8.01 4.35 0.00 1.11 0.59 0.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.44 4.51 0.00 1.82 1.90 0.00 3.17 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 14 W 8.30 5.26 0.00 3.29 2.91 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 15 P 0.00 4.18 0.00 2.18 2.03 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 16 R 9.18 4.00 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 17 E 8.35 3.98 0.00 2.01 1.97 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 2.32 1.96 0.00 18 V 7.98 3.83 2.27 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 1.02 0.00 0.00 0.86 0.00 0.00 19 L 8.01 4.14 0.00 1.92 1.76 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.28 4.38 0.00 2.78 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 21 L 7.77 3.91 0.00 1.93 1.81 0.92 1.31 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 22 V 8.12 3.63 2.37 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 1.14 0.00 0.00 1.20 0.00 0.00 23 R 8.74 3.92 0.00 2.03 1.97 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 24 K 8.85 3.94 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 25 V 8.12 3.59 2.23 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 0.92 0.00 0.00 0.99 0.00 0.00 26 A 8.39 4.31 1.43 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 0.00 0.00 27 E 8.31 3.93 0.00 1.99 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 2.25 2.20 0.00 28 E 8.03 4.24 0.00 2.14 2.12 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 2.59 2.45 0.00 29 N 8.51 4.73 0.00 2.86 2.90 0.00 0.00 7.04 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 30 G 7.86 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 31 R 7.82 4.68 0.00 1.90 1.90 0.00 3.13 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 32 S 8.21 4.48 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.62 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 1.09 0.00 0.00 0.93 0.00 0.00 34 N 8.15 4.24 0.00 2.82 2.75 0.00 0.00 7.19 7.63 0.00 0.00 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 S 8.16 4.22 0.00 3.91 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 36 E 7.94 4.07 0.00 2.28 2.12 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 2.32 2.43 0.00 37 I 8.11 3.78 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.55 1.01 0.00 0.00 38 Y 7.68 4.11 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.94 0.00 2.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 40 R 8.00 3.88 0.00 2.06 1.94 0.00 3.22 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 41 V 8.23 3.26 2.03 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 0.57 0.00 0.00 0.91 0.00 0.00 42 M 8.36 3.98 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.07 0.00 43 E 8.23 3.91 0.00 2.20 1.90 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 2.29 2.45 0.00 44 S 7.82 4.17 0.00 4.01 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 45 F 7.78 4.70 0.00 3.30 2.98 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 46 K 8.28 3.96 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.81 7.81 47 K 7.69 4.03 0.00 1.78 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.57 7.81 48 E 7.75 4.19 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 49 G 8.33 3.87 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 0.00 0.00 0.00 50 R 8.04 4.31 0.00 1.56 1.74 0.00 3.49 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 51 I 7.14 4.50 1.90 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 1.31 0.20 0.94 0.00 0.00 52 G 8.50 3.75 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 0.00 0.00 0.00