NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3317 8.1744 110.9435 61.3457 70.4914 173.2791 6 N 4.7168 7.9543 119.5422 53.3892 39.1772 173.5608 7 S 4.4516 8.7698 113.0409 57.5704 64.8092 173.3095 8 D 4.7732 8.6096 121.8803 55.1337 41.8196 175.4314 9 F 5.2973 7.8645 114.0016 55.5851 41.5244 173.8310 10 V 4.5900 8.8283 112.3686 59.5558 35.2899 174.8474 11 V 4.7895 8.6828 123.6699 61.3235 33.8204 174.4036 12 I 4.9344 9.0350 128.7356 59.3724 40.6425 174.1684 13 K 4.9807 9.3906 128.9776 54.2291 34.3447 175.0847 14 A 4.4290 8.6752 130.3604 52.2990 19.1380 177.4185 15 L 4.6951 8.8785 122.0636 54.5967 42.5441 176.0198 16 E 4.6883 7.6967 115.5513 54.7961 32.3556 174.4707 17 D 4.4649 8.3522 119.4223 55.6545 41.3604 177.0692 18 G 3.8867 8.3611 110.1000 45.5409 0.0000 173.9537 19 V 3.8537 7.5969 119.8464 63.1919 32.8072 174.3203 20 N 5.3244 9.0536 124.8899 51.5223 41.1701 173.6400 21 V 4.5076 8.6000 124.6318 61.3572 33.5891 174.2786 22 I 4.5489 8.6687 130.1204 59.3246 39.7824 175.0313 23 G 4.2012 8.8651 115.4735 45.2656 0.0000 172.4852 24 L 5.3393 8.9243 126.3780 53.3861 43.7537 176.4327 25 T 4.3305 8.6976 114.3261 61.6331 69.3344 174.2762 26 R 4.3510 7.8560 125.7895 57.1150 30.7907 175.0927 27 G 3.7890 8.8529 109.4614 44.2143 0.0000 172.9683 28 A 4.0572 8.7706 121.5432 54.6972 18.6465 177.8491 29 D 4.7997 7.8232 113.7532 53.3465 42.4748 176.3264 30 T 4.5204 8.2767 122.4701 61.2369 68.8806 172.6660 31 R 4.8490 8.7562 122.6664 53.6101 33.9189 174.4728 32 F 4.9504 8.7099 117.9966 58.2603 38.8303 175.3596 33 H 4.6612 9.6168 125.0129 58.8038 30.4808 174.7338 34 H 4.8168 7.8546 115.5603 54.9709 33.3892 172.0037 35 S 4.7274 8.1229 118.1814 56.4378 64.6961 172.4902 36 E 4.4534 8.9487 129.7188 54.8636 30.8949 174.8400 37 K 4.8312 8.6027 126.8538 55.6143 33.4525 176.1147 38 L 4.9611 8.9818 124.8799 53.0905 44.9350 176.1101 39 D 4.7366 9.6336 123.5573 52.5161 43.1718 175.9453 40 K 3.9238 9.0401 121.8613 58.5874 32.3689 176.5962 41 G 4.0783 9.0690 115.1940 45.3124 0.0000 173.7490 42 E 4.1963 7.9938 119.3870 56.3828 30.6915 176.2113 43 V 4.8979 8.3157 122.3798 60.9842 34.3967 174.2350 44 L 4.7466 8.9361 129.2860 53.2478 44.9524 174.8224 45 I 5.0324 8.4979 126.4550 59.5563 39.3844 174.7858 46 A 4.6509 8.9041 129.0685 50.1076 21.8880 175.4790 47 Q 4.7478 8.6745 121.3812 55.2383 30.2140 175.8911 48 F 4.7132 8.4334 120.3175 57.8981 38.8419 175.1409 49 T 4.7275 8.9800 111.3954 59.7975 72.1205 173.9943 50 E 4.0075 8.9924 121.3468 59.5876 29.4903 177.4026 51 H 4.5389 7.7551 111.4018 56.4013 29.7220 174.4239 52 T 5.3881 8.1952 116.1841 60.7478 71.4855 174.3634 53 S 4.9519 9.0428 119.5806 57.9564 65.0466 173.2577 54 A 5.1873 7.9343 121.5378 50.8941 22.7703 175.0146 55 I 4.9937 8.5625 120.1470 59.3416 40.6545 174.7217 56 K 4.5595 9.0654 128.4245 54.5360 34.5834 174.6082 57 V 4.7838 8.4265 127.0291 61.2540 33.4495 174.6039 58 R 4.5546 9.0581 127.1792 55.5532 32.7778 176.1694 59 G 4.0716 9.0055 108.8539 44.0696 0.0000 172.4080 60 K 4.6625 9.5398 120.4097 55.3526 33.0149 175.5686 61 A 5.1270 8.5684 126.9342 50.8733 23.4085 173.7077 62 Y 4.9440 9.3099 122.0229 56.0703 41.2247 174.6085 63 I 4.9558 8.0961 126.6971 59.5170 41.2126 174.2028 64 Q 5.0243 9.0546 126.0161 54.2850 31.8482 174.9024 65 T 4.8542 8.5845 113.2961 59.4204 72.3864 174.6745 66 R 3.7842 8.5525 120.5245 59.3320 29.9052 176.5212 67 H 4.7153 8.2333 112.7040 55.2049 29.7399 174.2881 68 G 3.7788 6.8095 106.2574 44.1870 0.0000 173.1708 69 V 4.7649 7.8235 113.6601 59.9950 34.8711 175.0702 70 I 4.3660 7.9509 120.3802 60.2658 41.8920 172.7102 71 E 5.2564 8.6959 126.6373 54.5550 31.7172 176.0389 72 S 4.6289 8.8799 119.1413 57.9132 65.1580 172.8740 73 E 4.8068 8.6954 119.7837 54.5322 32.8840 176.2986 74 G 3.7289 8.6590 110.8666 45.7090 0.0000 173.3041 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 5 T 8.17 4.33 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 1.22 0.00 0.00 6 N 7.95 4.72 0.00 2.80 2.86 0.00 0.00 7.13 6.75 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 7 S 8.77 4.45 0.00 4.06 3.94 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 8 D 8.61 4.77 0.00 2.79 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 9 F 7.86 5.30 0.00 2.90 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 10 V 8.83 4.59 2.02 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 0.56 0.00 0.00 0.81 0.00 0.00 11 V 8.68 4.79 2.14 0.00 0.00 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 1.17 0.00 0.00 12 I 9.03 4.93 1.87 0.00 0.00 0.82 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 0.56 0.91 0.00 0.00 13 K 9.39 4.98 0.00 1.87 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.68 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 4.70 0.00 1.54 1.72 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.69 0.00 2.03 1.88 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 2.19 2.33 0.00 17 D 8.35 4.46 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 18 G 8.36 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 19 V 7.60 3.85 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 0.99 0.00 0.00 0.97 0.00 0.00 20 N 9.05 5.32 0.00 2.63 2.62 0.00 0.00 6.25 7.24 0.00 0.00 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 V 8.60 4.51 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 1.00 0.00 0.00 0.90 0.00 0.00 22 I 8.67 4.55 1.46 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.44 -0.48 0.00 0.00 23 G 8.87 4.20 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 0.00 24 L 8.92 5.34 0.00 1.84 1.68 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.70 4.33 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 26 R 7.86 4.35 0.00 1.87 1.94 0.00 3.20 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.85 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 28 A 8.77 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.80 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.52 4.28 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 1.28 0.00 0.00 31 R 8.76 4.85 0.00 1.85 2.03 0.00 2.80 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.71 4.95 0.00 2.86 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 33 H 9.62 4.66 0.00 3.14 3.59 0.00 5.98 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.85 4.82 0.00 3.13 3.02 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.12 4.73 0.00 3.71 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.95 4.45 0.00 2.18 1.79 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 2.25 2.32 0.00 37 K 8.60 4.83 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.39 7.81 38 L 8.98 4.96 0.00 1.52 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.63 4.74 0.00 2.54 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 40 K 9.04 3.92 0.00 1.74 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 41 G 9.07 4.08 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 0.00 0.00 0.00 42 E 7.99 4.20 0.00 2.06 1.88 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 2.33 2.35 0.00 43 V 8.32 4.90 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 0.80 0.00 0.00 1.01 0.00 0.00 44 L 8.94 4.75 0.00 1.75 1.45 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.03 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.58 0.00 0.00 46 A 8.90 4.65 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 47 Q 8.67 4.75 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 48 F 8.43 4.71 0.00 3.04 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 49 T 8.98 4.73 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.99 4.01 0.00 1.92 2.01 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 2.07 2.29 0.00 51 H 7.76 4.54 0.00 3.13 2.93 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.20 5.39 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 1.35 0.00 0.00 53 S 9.04 4.95 0.00 3.80 4.05 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 0.00 0.00 0.00 0.00 54 A 7.93 5.19 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 55 I 8.56 4.99 1.87 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.90 0.00 0.00 56 K 9.07 4.56 0.00 1.79 1.56 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.36 7.81 57 V 8.43 4.78 2.07 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.06 4.55 0.00 1.76 1.80 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 59 G 9.01 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 60 K 9.54 4.66 0.00 1.85 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.57 5.13 1.26 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 62 Y 9.31 4.94 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.10 4.96 1.85 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 1.18 0.83 0.88 0.00 0.00 64 Q 9.05 5.02 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 65 T 8.58 4.85 4.13 0.00 0.00 0.00 0.00 0.00 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 66 R 8.55 3.78 0.00 1.58 1.73 0.00 3.11 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 67 H 8.23 4.72 0.00 3.18 3.28 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 68 G 6.81 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 69 V 7.82 4.76 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 0.68 0.00 0.00 0.96 0.00 0.00 70 I 7.95 4.37 1.82 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 1.21 1.33 0.84 0.00 0.00 71 E 8.70 5.26 0.00 1.91 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 2.53 2.48 0.00 72 S 8.88 4.63 0.00 3.91 3.98 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 73 E 8.70 4.81 0.00 1.83 1.86 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 2.21 2.29 0.00 74 G 8.66 3.73 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 0.00 0.00 0.00