NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5205 8.0333 117.3471 63.8076 70.4459 172.3236 2 Y 4.9558 8.7024 123.9468 55.7998 41.9676 169.8092 3 V 5.1781 9.1644 114.8159 59.8111 37.3222 173.8260 4 Q 4.7460 9.0214 122.4523 53.8689 32.2944 174.3173 5 A 4.2418 8.5444 128.6383 52.1796 18.8150 178.3777 6 L 3.7659 8.9160 123.1702 56.6484 42.3547 177.1303 7 F 5.0006 7.8806 114.7737 55.3518 43.2984 174.3449 8 D 4.8474 9.0830 120.4016 54.9120 41.6336 175.8792 9 F 4.7995 8.9099 124.4195 56.4920 42.0073 173.4033 10 D 4.7090 8.2528 127.2702 51.6607 41.5057 174.2513 11 P 4.0046 0.0000 0.0000 62.8126 31.9040 176.1928 12 Q 4.5026 9.1160 118.9323 55.7625 31.2210 175.7865 13 E 4.7280 7.8132 116.0981 53.7613 33.3005 174.5951 14 D 4.5586 8.6294 121.1475 56.6374 41.4625 177.4179 15 G 4.0366 9.0947 111.3828 45.0099 0.0000 172.6708 16 E 5.0012 7.8605 119.5926 55.8964 30.4060 175.9928 17 L 4.5619 9.2284 127.3645 54.2230 43.0653 176.1393 18 G 4.0716 8.8056 114.1342 45.7133 0.0000 172.4978 19 F 5.1973 8.1386 117.4200 56.1140 41.8709 173.0724 20 R 5.1422 9.5850 118.9275 53.9822 33.0418 176.0235 21 R 3.9498 9.1325 121.6134 58.6330 30.2723 176.6583 22 G 3.8590 8.7265 114.1942 45.1559 0.0000 173.5904 23 D 4.4989 7.9286 119.6490 54.4868 42.0420 175.4362 24 F 5.1577 8.6514 120.0337 56.3259 40.8612 175.3291 25 I 4.6534 8.9890 123.4444 59.6706 40.9119 174.0366 26 H 3.9421 8.7397 127.0504 54.7426 30.7506 174.3446 27 V 4.0236 8.5370 127.8169 63.4018 31.2550 175.3210 28 M 4.3992 8.9612 127.4606 56.2040 34.5794 175.6776 29 D 4.3783 7.8111 118.7247 52.6650 43.9774 175.1844 30 N 4.5792 8.0767 125.2638 52.3614 37.8039 176.7263 31 S 4.1592 8.2422 118.1381 62.2763 62.2971 174.9323 32 D 4.6446 7.9799 120.2348 53.0938 41.6336 175.2362 33 P 4.7207 0.0000 0.0000 65.1544 31.9491 177.1355 34 N 4.5316 8.2538 115.7835 54.0645 39.3896 174.7882 35 W 4.8401 8.7428 117.5165 54.6076 31.6858 175.7245 36 W 4.9344 8.4835 124.8930 55.4154 31.1434 175.4242 37 K 4.9512 8.3922 121.1076 55.2091 35.2146 176.3160 38 G 4.2550 8.7941 108.5683 46.1875 0.0000 171.3646 39 A 5.9400 8.5600 121.0747 49.4422 22.5037 175.7076 40 C 4.7900 8.6798 119.9177 59.6031 34.7596 173.3243 41 H 4.4354 9.7221 121.5514 57.0780 25.9946 175.2503 42 G 3.9958 8.5798 102.4341 46.3960 0.0000 173.7534 43 Q 4.8667 7.9945 116.8157 54.0142 33.3046 174.4562 44 T 5.0520 8.4092 110.9400 60.4027 71.4901 173.8301 45 G 4.2507 7.9325 109.1192 46.9184 0.0000 171.3035 46 M 5.6273 8.7106 117.2024 53.8497 34.5740 174.8455 47 F 4.9880 8.4204 113.0056 55.3700 41.9664 171.7668 48 P 3.5717 0.0000 0.0000 61.7346 32.0654 177.4634 49 R 2.9277 8.1193 123.8513 59.2217 29.7944 177.3960 50 N 4.6159 7.6587 111.5237 53.3368 37.6525 174.8283 51 Y 4.4569 8.0612 116.4761 58.7846 38.4994 174.9774 52 V 4.9238 7.4630 111.8407 59.7258 36.1781 174.6144 53 T 4.7238 8.5009 115.5465 59.8388 70.4518 173.2224 54 A 4.7763 8.8156 128.8088 52.7586 19.2886 176.6393 55 V 4.6360 8.4447 111.8745 59.7397 36.5239 175.5786 56 N 4.5622 8.6138 118.7693 53.9268 39.1465 173.8003 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 T 8.03 4.52 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 2 Y 8.70 4.96 0.00 3.00 2.99 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 3 V 9.16 5.18 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 1.03 0.00 0.00 1.05 0.00 0.00 4 Q 9.02 4.75 0.00 1.79 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 1.75 1.26 0.00 5 A 8.54 4.24 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 6 L 8.92 3.77 0.00 1.24 0.80 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.88 5.00 0.00 2.81 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 8 D 9.08 4.85 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.91 4.80 0.00 2.47 1.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.71 0.00 2.57 2.39 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 11 P 0.00 4.00 0.00 2.08 1.92 0.00 3.28 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 12 Q 9.12 4.50 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 13 E 7.81 4.73 0.00 2.04 1.73 0.00 0.00 0.00 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 2.26 0.00 14 D 8.63 4.56 0.00 2.64 2.63 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 0.00 0.00 0.00 0.00 15 G 9.09 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.86 5.00 0.00 2.06 2.16 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 2.62 2.40 0.00 17 L 9.23 4.56 0.00 1.91 2.11 1.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.81 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 0.00 0.00 0.00 19 F 8.14 5.20 0.00 3.13 3.18 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 0.00 0.00 0.00 0.00 20 R 9.58 5.14 0.00 1.83 2.02 0.00 3.21 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 21 R 9.13 3.95 0.00 1.76 1.89 0.00 3.10 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 22 G 8.73 3.86 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 0.00 0.00 0.00 23 D 7.93 4.50 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 5.16 0.00 3.03 3.25 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 25 I 8.99 4.65 1.60 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.41 0.84 0.00 0.00 26 H 8.74 3.94 0.00 2.77 3.00 0.00 5.60 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.54 4.02 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 0.48 0.00 0.00 1.08 0.00 0.00 28 M 8.96 4.40 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 29 D 7.81 4.38 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.58 0.00 1.44 1.42 0.00 0.00 6.32 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 31 S 8.24 4.16 0.00 3.89 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 32 D 7.98 4.64 0.00 2.84 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 33 P 0.00 4.72 0.00 2.14 2.18 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 34 N 8.25 4.53 0.00 3.42 2.94 0.00 0.00 6.63 7.55 0.00 0.00 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 W 8.74 4.84 0.00 3.07 3.07 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 36 W 8.48 4.93 0.00 2.62 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 37 K 8.39 4.95 0.00 1.75 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.37 7.81 38 G 8.79 4.26 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 0.00 39 A 8.56 5.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.68 4.79 0.00 2.93 2.84 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 41 H 9.72 4.44 0.00 3.39 3.38 0.00 5.84 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 42 G 8.58 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 43 Q 7.99 4.87 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 44 T 8.41 5.05 4.31 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 0.00 0.00 1.25 0.00 0.00 45 G 7.93 4.25 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 0.00 46 M 8.71 5.63 0.00 2.10 2.39 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 47 F 8.42 4.99 0.00 2.88 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.57 0.00 1.85 1.13 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.44 0.00 49 R 8.12 2.93 0.00 0.67 1.37 0.00 2.93 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.54 0.00 50 N 7.66 4.62 0.00 2.77 2.76 0.00 0.00 5.99 7.55 0.00 0.00 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 Y 8.06 4.46 0.00 3.12 3.27 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 52 V 7.46 4.92 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 0.40 0.00 0.00 1.05 0.00 0.00 53 T 8.50 4.72 4.18 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 0.00 0.00 0.00 1.22 0.00 0.00 54 A 8.82 4.78 1.36 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 55 V 8.44 4.64 2.25 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 0.82 0.00 0.00 1.27 0.00 0.00 56 N 8.61 4.56 0.00 2.63 2.64 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00