NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3374 8.2644 123.5828 51.2887 20.3690 176.0365 3 K 4.3115 8.0286 120.7608 58.0914 35.7828 173.1893 4 H 3.4202 8.7498 109.6448 57.3055 29.6666 174.3039 5 P 4.4743 0.0000 0.0000 63.2261 32.6838 176.9484 6 V 4.5564 7.9142 120.0748 58.9152 34.4745 173.0154 7 P 4.3616 0.0000 0.0000 63.0315 31.6431 176.2402 8 K 4.2795 8.4869 120.8320 57.6388 32.9155 176.7767 9 K 4.5717 7.5571 116.1684 54.1793 36.0074 175.4838 10 K 3.8768 8.6271 124.2314 56.5209 32.3103 176.3300 11 T 3.8321 8.6410 123.6785 63.8366 68.8588 174.5427 12 S 4.1978 8.7348 121.8503 58.6106 64.7795 175.4953 13 K 3.9121 8.6685 122.3241 60.3418 31.8059 178.4720 14 A 3.8961 8.2360 119.6370 55.7403 18.0668 179.0135 15 R 3.8602 8.3759 116.0257 58.7727 30.0993 179.3477 16 R 3.8247 7.5320 117.7046 59.6989 30.3994 177.8361 17 D 4.4231 8.0816 118.3504 57.2683 40.9469 178.4818 18 A 3.9284 8.3759 121.7104 55.3726 18.0097 179.7040 19 R 3.9485 7.5439 115.9977 59.3015 30.4005 178.0947 20 R 3.9651 8.0803 116.0301 56.2245 29.7998 177.9252 21 S 3.9902 7.3882 114.6053 61.9699 62.2804 175.0197 22 H 4.7216 8.0211 114.3863 56.5682 28.4302 175.8727 23 H 4.4091 8.4727 116.1767 55.6633 28.6005 175.1565 24 A 3.9502 7.3423 123.4690 52.4251 18.3094 177.5390 25 L 4.2451 8.4403 125.4571 54.9883 43.0441 176.0019 26 T 4.5848 8.1056 115.4206 58.9908 70.6745 172.7802 27 P 4.3972 0.0000 0.0000 61.7066 32.0374 174.4437 28 P 4.2988 0.0000 0.0000 63.1666 31.6386 175.7821 29 T 4.2463 8.3176 111.5559 61.2520 69.5843 173.7943 30 L 4.9972 8.2241 124.7141 53.1277 46.3412 175.4413 31 V 4.6258 8.3910 112.8458 58.0759 37.1608 175.8254 32 P 5.3491 0.0000 0.0000 60.8589 33.1975 179.0222 33 C 4.6001 8.8720 125.2846 59.2380 33.1995 170.5209 34 P 3.6778 0.0000 0.0000 66.2931 31.5825 175.6204 35 E 4.2828 8.3955 127.5118 58.6571 29.7948 174.8152 36 C 5.0152 8.3275 117.8857 57.3945 28.5152 174.1824 37 K 4.1809 8.6199 120.8461 57.8679 33.1343 176.3032 38 A 3.8903 6.9173 123.3369 50.6034 20.8392 176.6016 39 M 5.6079 7.9126 116.4209 53.2914 32.8511 175.7498 40 K 4.2054 7.6409 118.9763 55.5561 33.4570 175.5572 41 P 4.8851 0.0000 0.0000 60.8342 32.5982 174.2578 42 P 4.2864 0.0000 0.0000 64.3277 31.6243 175.1054 43 H 4.2033 8.6053 113.6329 57.2549 26.6303 174.7032 44 T 4.4240 7.4219 111.4182 61.0177 69.8903 172.3671 45 V 3.8776 7.7274 119.1308 62.7328 34.3680 172.6547 46 C 4.4462 8.3514 119.1817 59.3403 34.7096 173.9811 47 P 4.3313 0.0000 0.0000 63.9089 30.9851 174.4012 48 E 4.7106 10.6429 122.8036 56.3845 35.0627 177.5253 49 C 3.7138 9.7855 125.3857 59.9081 30.5870 177.6488 50 G 3.7386 9.3584 109.6556 46.6781 0.0000 174.8996 51 Y 4.4700 8.4210 120.0861 57.2029 41.5884 172.6371 52 Y 4.2750 6.7207 120.0544 57.6390 38.1715 174.5689 53 A 3.7763 8.7521 128.1516 52.7541 16.4114 176.9534 54 G 3.9007 7.7911 106.5717 45.8426 0.0000 174.4380 55 R 4.1902 8.1684 120.1973 55.0404 31.1256 176.9475 56 K 4.2157 7.6450 116.6835 57.0566 35.6890 175.3110 57 V 4.0125 7.7602 111.8970 59.9370 30.2745 175.1459 58 L 3.9636 7.6991 124.7234 53.5325 43.1124 176.6875 59 E 4.6769 8.2067 116.6109 54.5557 32.3828 175.4031 60 V 3.7399 8.5723 119.9603 63.6172 31.4132 175.6028 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 2 A 8.26 4.34 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 3 K 8.03 4.31 0.00 1.74 1.70 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.56 7.81 4 H 8.75 3.42 0.00 3.20 3.00 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.47 0.00 2.17 2.04 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 2.00 1.95 0.00 6 V 7.91 4.56 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 0.79 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.36 0.00 2.20 2.10 0.00 3.76 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 1.99 1.96 0.00 8 K 8.49 4.28 0.00 1.71 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 9 K 7.56 4.57 0.00 1.73 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.63 3.88 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 T 8.64 3.83 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 12 S 8.73 4.20 0.00 4.03 4.03 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 13 K 8.67 3.91 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 14 A 8.24 3.90 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 15 R 8.38 3.86 0.00 1.93 1.96 0.00 3.10 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 R 7.53 3.82 0.00 1.87 2.13 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.08 4.42 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 3.93 1.33 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 0.00 0.00 19 R 7.54 3.95 0.00 1.82 2.28 0.00 3.29 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 20 R 8.08 3.97 0.00 1.92 1.75 0.00 3.14 0.00 0.00 2.98 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.74 0.00 21 S 7.39 3.99 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.02 4.72 0.00 3.26 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.47 4.41 0.00 3.19 3.36 0.00 5.87 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 24 A 7.34 3.95 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 25 L 8.44 4.25 0.00 1.63 1.58 0.93 1.00 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 26 T 8.11 4.58 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 27 P 0.00 4.40 0.00 2.20 2.10 0.00 3.78 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 1.99 1.95 0.00 28 P 0.00 4.30 0.00 2.19 2.10 0.00 3.76 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 1.99 1.96 0.00 29 T 8.32 4.25 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 30 L 8.22 5.00 0.00 1.49 1.55 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.39 4.63 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 0.84 0.00 0.00 1.00 0.00 0.00 32 P 0.00 5.35 0.00 2.07 1.26 0.00 3.92 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 2.11 1.92 0.00 33 C 8.87 4.60 0.00 2.83 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 34 P 0.00 3.68 0.00 2.21 2.11 0.00 3.73 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 2.26 2.27 0.00 35 E 8.40 4.28 0.00 1.98 1.94 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 2.34 2.32 0.00 36 C 8.33 5.02 0.00 3.03 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 37 K 8.62 4.18 0.00 1.85 1.92 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.42 7.81 38 A 6.92 3.89 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 39 M 7.91 5.61 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 40 K 7.64 4.21 0.00 1.87 1.65 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.29 7.81 41 P 0.00 4.89 0.00 2.17 2.03 0.00 3.73 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 1.93 1.93 0.00 42 P 0.00 4.29 0.00 2.34 2.13 0.00 4.04 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 43 H 8.61 4.20 0.00 3.36 3.49 0.00 5.64 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 44 T 7.42 4.42 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 V 7.73 3.88 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 0.55 0.00 0.00 0.92 0.00 0.00 46 C 8.35 4.45 0.00 2.93 2.61 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 47 P 0.00 4.33 0.00 2.10 2.13 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 48 E 10.64 4.71 0.00 2.00 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 2.21 2.27 0.00 49 C 9.79 3.71 0.00 3.00 3.24 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 0.00 0.00 0.00 0.00 50 G 9.36 3.74 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 0.00 0.00 0.00 51 Y 8.42 4.47 0.00 2.65 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 0.00 0.00 0.00 0.00 52 Y 6.72 4.28 0.00 3.13 3.10 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 0.00 0.00 0.00 0.00 53 A 8.75 3.78 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 54 G 7.79 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 0.00 0.00 0.00 55 R 8.17 4.19 0.00 1.78 1.86 0.00 3.39 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 56 K 7.65 4.22 0.00 1.98 1.95 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.34 7.81 57 V 7.76 4.01 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 0.73 0.00 0.00 0.94 0.00 0.00 58 L 7.70 3.96 0.00 1.61 1.63 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.21 4.68 0.00 2.02 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 2.18 2.30 0.00 60 V 8.57 3.74 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 0.77 0.00 0.00 0.93 0.00 0.00