NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1821 8.2549 119.6874 54.8952 31.8041 175.0529 2 P 4.0324 0.0000 0.0000 62.1625 31.8145 176.3917 3 D 4.4013 8.4004 121.7162 56.9965 41.7345 178.5799 4 F 4.3348 7.9253 114.6924 59.6570 37.5739 177.7808 5 C 4.6960 7.5550 116.3021 59.1445 40.0394 174.6892 6 L 4.3351 7.8332 118.8329 54.0649 42.0505 176.5126 7 E 4.3333 7.4778 119.3863 54.7201 30.3007 174.9670 8 P 4.3993 0.0000 0.0000 61.5230 32.1070 174.3685 9 P 3.5968 0.0000 0.0000 62.6437 31.3819 175.1968 10 Y 4.6604 7.8192 121.1774 56.1119 40.5668 175.4279 11 T 4.0595 8.3115 125.1702 65.1175 68.8762 175.9995 12 G 3.6933 6.8208 104.9117 44.0384 0.0000 171.1879 13 P 4.3189 0.0000 0.0000 64.3860 31.9642 177.6635 14 C 4.3911 7.7586 116.8877 57.2788 40.7452 172.8369 15 H 4.7655 8.3077 117.2807 56.0788 28.5869 175.4631 16 A 4.3211 7.6715 122.1717 51.0231 20.6705 177.8075 17 R 4.7434 7.9999 117.4049 54.5217 29.5141 173.0534 18 I 4.3954 8.2279 122.1657 59.0906 39.7271 175.5496 19 I 4.2027 8.2968 128.6071 61.3781 37.6600 175.4933 20 R 4.8409 8.4272 124.8511 54.7453 35.1775 173.4022 21 Y 5.6055 9.4961 117.6712 56.5260 41.2835 175.3359 22 F 5.7563 9.5720 117.1278 55.4002 42.1373 172.8248 23 Y 4.4881 10.0373 122.4573 57.0022 40.2318 173.9611 24 N 4.8355 7.9928 125.8083 51.3529 38.7507 174.7606 25 A 3.8430 8.2376 129.3120 54.7519 18.8967 178.9261 26 K 4.0394 8.1089 114.8993 59.0566 32.1554 178.0017 27 A 4.2316 7.9994 119.4225 51.9036 19.7473 177.9591 28 G 4.0103 8.5647 103.5437 45.0668 0.0000 172.5617 29 L 4.9522 6.9116 118.0291 52.8627 46.7534 175.6913 30 C 4.9449 8.6777 117.3647 56.3977 39.7499 173.4382 31 Q 4.9120 8.5468 121.8229 54.1088 32.4480 174.7559 32 T 4.8805 8.4187 110.7414 61.3690 70.7275 173.5995 33 F 4.9960 8.8973 116.9375 56.1182 42.0442 172.7712 34 V 4.4032 8.3981 119.6225 61.7747 32.5051 174.1176 35 Y 4.7791 8.7561 129.9858 56.1080 40.4546 176.3922 36 G 3.7082 8.3295 113.1685 46.3342 0.0000 175.1068 37 G 3.7950 6.3679 107.8530 45.1138 0.0000 172.5129 38 C 4.9714 6.7243 111.9316 54.7877 44.6678 173.2371 39 R 3.8514 8.8700 116.8167 57.1522 26.9978 176.8086 40 A 4.2570 8.3658 119.2851 52.4336 18.9819 178.5397 41 K 4.3354 8.2998 120.8863 55.0638 33.8189 177.3419 42 R 3.4740 8.0092 117.9294 58.9415 30.3734 177.5978 43 N 4.8434 7.7405 117.9095 51.4674 37.4661 174.4670 44 N 5.1006 6.6371 116.5945 52.8327 41.5311 173.0682 45 F 5.0290 9.5390 124.8278 55.6100 42.4587 176.5414 46 K 4.4901 8.8532 121.7056 58.1199 32.8371 177.8311 47 S 4.4886 7.7798 112.8980 55.4608 67.1831 174.5819 48 A 3.3523 7.2614 124.8921 54.9056 18.0912 179.7615 49 E 3.7253 7.7886 117.3191 59.5398 29.6863 178.5862 50 D 4.2828 7.9328 118.8228 57.4292 40.8728 178.0224 51 C 2.4500 7.5653 118.3336 59.1418 44.1051 175.7221 52 L 3.8323 7.9051 120.7845 57.7354 40.9239 179.7037 53 R 3.9283 7.8333 117.0983 58.6377 29.9913 178.2243 54 T 4.3422 7.1186 114.0448 64.3275 69.7203 174.7255 55 C 4.4984 8.2111 115.8325 55.6312 42.0803 174.0295 56 G 3.7780 7.3258 109.2941 47.4274 0.0000 174.1351 57 G 3.8600 8.9176 112.3425 45.0652 0.0000 173.0761 58 A 4.0645 7.2825 127.3339 52.3834 18.2457 177.3426 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 R 8.25 4.18 0.00 1.65 1.68 0.00 3.34 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 2 P 0.00 4.03 0.00 0.67 1.56 0.00 3.22 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 1.84 2.02 0.00 3 D 8.40 4.40 0.00 2.69 2.73 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 0.00 0.00 0.00 4 F 7.93 4.33 0.00 3.21 3.34 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 5 C 7.55 4.70 0.00 2.98 3.20 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 6 L 7.83 4.34 0.00 1.74 1.76 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.48 4.33 0.00 2.17 1.89 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 2.42 2.44 0.00 8 P 0.00 4.40 0.00 2.07 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.60 0.00 0.66 0.49 0.00 3.23 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.00 10 Y 7.82 4.66 0.00 2.78 2.90 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 11 T 8.31 4.06 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 1.17 0.00 0.00 12 G 6.82 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.14 2.17 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 14 C 7.76 4.39 0.00 2.79 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 H 8.31 4.77 0.00 3.10 3.22 0.00 5.69 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 16 A 7.67 4.32 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 17 R 8.00 4.74 0.00 1.73 1.75 0.00 3.19 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.23 4.40 2.00 0.00 0.00 0.77 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 0.42 0.96 0.00 0.00 19 I 8.30 4.20 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.40 0.68 0.00 0.00 20 R 8.43 4.84 0.00 0.80 1.80 0.00 3.42 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.50 5.61 0.00 3.17 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 22 F 9.57 5.76 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.04 4.49 0.00 3.10 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 24 N 7.99 4.84 0.00 2.36 2.43 0.00 0.00 6.71 9.28 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 25 A 8.24 3.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.11 4.04 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 8.00 4.23 1.18 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 0.00 0.00 28 G 8.56 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.91 4.95 0.00 1.49 1.47 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 4.94 0.00 2.86 3.11 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 31 Q 8.55 4.91 0.00 1.40 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.12 1.88 0.00 32 T 8.42 4.88 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 0.84 0.00 0.00 33 F 8.90 5.00 0.00 3.02 3.19 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 0.00 34 V 8.40 4.40 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 0.90 0.00 0.00 35 Y 8.76 4.78 0.00 2.49 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.71 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 0.00 0.00 0.00 37 G 6.37 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.72 4.97 0.00 3.04 2.95 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 39 R 8.87 3.85 0.00 2.23 2.26 0.00 3.26 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.37 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.30 4.34 0.00 1.74 1.69 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.10 7.81 42 R 8.01 3.47 0.00 0.86 0.66 0.00 2.56 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 43 N 7.74 4.84 0.00 3.24 2.90 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.64 5.10 0.00 2.67 2.57 0.00 0.00 7.08 7.02 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 45 F 9.54 5.03 0.00 3.30 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 46 K 8.85 4.49 0.00 1.84 1.95 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.78 4.49 0.00 3.86 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 48 A 7.26 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.79 3.73 0.00 1.94 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 2.30 2.33 0.00 50 D 7.93 4.28 0.00 2.97 2.87 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 51 C 7.57 2.45 0.00 2.74 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 52 L 7.91 3.83 0.00 1.59 1.61 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.83 3.93 0.00 1.85 1.93 0.00 3.10 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 54 T 7.12 4.34 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 1.63 0.00 0.00 55 C 8.21 4.50 0.00 2.70 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 0.00 0.00 0.00 0.00 56 G 7.33 3.78 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 0.00 0.00 0.00 57 G 8.92 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 58 A 7.28 4.06 1.07 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