NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3891 8.3001 120.3279 55.2334 33.6813 174.1037 1 A 4.4030 8.7208 121.0997 51.2164 20.7135 175.2462 2 K 5.2764 9.2044 118.7999 54.4709 36.6319 173.8415 3 W 5.3667 9.5061 123.0336 54.8801 33.2067 174.5604 4 V 4.8409 8.7636 123.5747 60.0620 33.7611 174.6104 5 C 3.3669 9.0713 125.2201 58.8142 31.5625 174.3437 6 K 3.9928 8.7433 127.4281 59.4693 31.7604 179.2417 7 I 3.8853 7.8828 120.5079 63.8808 37.2494 176.5063 8 C 4.6291 8.1101 110.6486 57.3267 30.9252 174.7515 9 G 3.9454 8.3237 108.9061 44.9281 0.0000 173.1001 10 Y 4.2704 7.8950 121.1982 58.3051 40.0523 174.8685 11 I 4.7577 7.4724 126.3069 59.7406 38.8984 174.7524 12 Y 4.3186 9.3312 130.4600 57.1357 39.7654 173.8151 13 D 4.7025 7.9376 128.0807 52.6002 42.1201 176.3550 14 E 3.9299 8.8980 127.4018 59.7538 30.0152 179.8046 15 D 4.2335 8.3814 118.2977 56.6638 41.0717 177.3111 16 A 4.1968 7.8505 121.2320 51.9041 19.8977 179.2808 17 G 3.9518 7.7592 104.2069 46.2917 0.0000 174.5276 18 D 4.9888 8.5503 111.7468 52.9764 42.7519 175.0198 19 P 4.4553 0.0000 0.0000 65.7134 32.1502 179.2492 20 D 4.5086 8.2463 117.6650 56.4391 40.8276 176.4800 21 N 4.9193 8.3646 115.8788 52.9319 39.1639 175.0580 22 G 3.8915 8.4359 104.8344 45.5965 0.0000 173.9591 23 I 4.4464 7.5840 120.2487 58.7427 38.9400 175.4655 24 S 4.5354 8.4442 120.4059 57.0204 63.7678 171.9933 25 P 4.3065 0.0000 0.0000 64.7203 31.4162 176.8763 26 G 3.9350 9.0357 111.0403 45.3776 0.0000 173.4077 27 T 4.1748 7.2426 116.3549 62.3553 68.9953 175.1148 28 K 4.3940 8.4668 126.2313 56.0893 33.1531 177.7568 29 F 3.2262 9.3631 124.6463 61.1504 39.2543 177.4200 30 E 3.7917 8.1203 118.4340 59.2718 29.2675 177.7109 31 E 4.1097 7.6781 115.7195 56.7381 29.9958 176.9861 32 L 3.6078 6.6780 119.8115 53.6409 42.1335 175.4078 33 P 4.2779 0.0000 0.0000 62.7546 31.9191 177.0990 34 D 4.2429 8.6842 120.8421 57.1561 40.8159 177.3082 35 D 4.7361 7.8415 115.5109 52.4451 39.8548 176.2434 36 W 4.1239 7.9940 130.3376 57.9327 31.1171 175.3847 37 V 4.3163 6.6142 116.2470 58.6872 35.1955 174.9786 38 C 3.6942 8.5959 122.1581 59.2945 31.5614 173.1807 39 P 4.0958 0.0000 0.0000 64.8291 31.3947 177.5296 40 I 3.9620 7.3570 119.6448 63.3429 37.5350 176.3227 41 C 4.4608 7.9548 111.3302 57.4222 30.6931 174.6754 42 G 3.7523 8.1388 108.5173 45.2133 0.0000 173.6903 43 A 4.0911 7.6082 123.2151 51.1552 19.0961 176.0888 44 P 4.8679 0.0000 0.0000 61.9298 32.6523 177.4516 45 K 4.2963 8.8674 117.9007 59.6731 32.0283 179.6183 46 S 4.3344 8.3765 112.3338 61.1371 62.8829 174.7283 47 E 4.4990 8.8889 119.4783 56.3262 29.4079 175.0919 48 F 5.2499 8.3310 118.2952 56.0303 40.9383 174.9562 49 E 4.7631 9.1266 122.9897 54.0200 32.6619 174.7666 50 K 2.8697 8.0709 128.2136 55.9756 32.7828 177.3640 51 L 4.4412 8.2317 129.4385 52.7316 39.7903 175.6268 52 E 4.5562 7.5302 118.0800 54.6104 32.5270 175.7574 53 D 4.4034 8.4848 118.2577 54.6679 41.2719 175.9523 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 0 M 8.30 4.39 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 1 A 8.72 4.40 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.20 5.28 0.00 1.69 1.67 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.46 7.81 3 W 9.51 5.37 0.00 3.37 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 4 V 8.76 4.84 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 0.93 0.00 0.00 5 C 9.07 3.37 0.00 2.59 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 6 K 8.74 3.99 0.00 1.69 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 7 I 7.88 3.89 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.90 0.00 0.00 8 C 8.11 4.63 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 10 Y 7.89 4.27 0.00 3.21 3.03 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 0.00 0.00 0.00 0.00 11 I 7.47 4.76 1.69 0.00 0.00 0.85 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 0.95 0.86 0.00 0.00 12 Y 9.33 4.32 0.00 3.53 3.16 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 0.00 0.00 0.00 13 D 7.94 4.70 0.00 2.63 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 3.93 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.67 0.00 15 D 8.38 4.23 0.00 2.80 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 16 A 7.85 4.20 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 17 G 7.76 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 0.00 0.00 0.00 18 D 8.55 4.99 0.00 3.25 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 19 P 0.00 4.46 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 20 D 8.25 4.51 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.36 4.92 0.00 3.01 2.77 0.00 0.00 7.15 7.27 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 22 G 8.44 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 4.45 2.19 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.94 0.89 0.00 0.00 24 S 8.44 4.54 0.00 4.01 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 25 P 0.00 4.31 0.00 2.06 2.21 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 26 G 9.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.24 4.17 4.27 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 1.08 0.00 0.00 28 K 8.47 4.39 0.00 1.82 1.96 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.47 7.81 29 F 9.36 3.23 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.79 0.00 1.95 1.96 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 2.38 2.47 0.00 31 E 7.68 4.11 0.00 1.95 1.87 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 2.26 2.36 0.00 32 L 6.68 3.61 0.00 0.66 0.64 -1.99 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.28 0.00 2.25 1.95 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 34 D 8.68 4.24 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.74 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.12 0.00 3.07 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 37 V 6.61 4.32 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 0.72 0.00 0.00 0.61 0.00 0.00 38 C 8.60 3.69 0.00 3.22 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 39 P 0.00 4.10 0.00 2.00 1.95 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.64 0.00 40 I 7.36 3.96 1.86 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 1.20 0.98 0.93 0.00 0.00 41 C 7.95 4.46 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 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 43 A 7.61 4.09 1.31 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 0.00 0.00 0.00 44 P 0.00 4.87 0.00 2.32 2.25 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 45 K 8.87 4.30 0.00 1.90 1.99 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.69 7.81 46 S 8.38 4.33 0.00 4.08 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 47 E 8.89 4.50 0.00 2.15 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 2.38 2.46 0.00 48 F 8.33 5.25 0.00 3.16 3.04 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 49 E 9.13 4.76 0.00 2.02 1.75 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 2.09 2.15 0.00 50 K 8.07 2.87 0.00 0.79 0.94 0.00 1.18 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.74 0.21 7.81 51 L 8.23 4.44 0.00 1.50 1.52 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.53 4.56 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 53 D 8.48 4.40 0.00 2.62 2.55 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 0.00 0.00 0.00 0.00