NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2839 8.1749 115.2482 62.1872 68.3414 173.5172 3 E 4.2746 8.5062 124.9108 55.0795 30.3331 174.9867 4 R 3.8121 8.5535 121.8244 56.6366 31.2897 175.7801 5 K 4.5450 8.4556 122.6679 56.1622 34.4534 175.9926 6 I 4.4508 7.3521 119.3063 59.5918 38.6268 174.7761 7 F 4.6578 9.7887 124.0609 57.6836 41.3639 175.0956 8 N 5.4871 8.5153 115.3934 50.9641 39.9800 173.8015 9 R 4.7021 8.5098 114.3638 55.2579 30.2378 177.9551 10 L 3.9583 8.8017 122.6001 59.3247 42.1913 177.3361 11 K 3.9237 8.1388 118.9800 59.8114 32.0502 178.6778 12 S 4.1237 8.0259 114.7378 61.6422 62.7924 176.7677 13 V 3.5656 7.8991 120.9000 65.8775 31.2041 177.9859 14 L 3.9380 8.4333 119.0257 57.7861 41.5996 179.3990 15 A 3.9532 8.0641 120.6161 55.1580 18.0919 179.4461 16 E 3.9060 8.1607 116.2418 59.4226 29.7065 179.1535 17 K 4.2122 8.0518 115.4632 55.9889 32.3943 177.4146 18 G 3.7850 7.5743 106.8207 46.3015 0.0000 173.6404 19 K 4.2645 7.8737 118.1242 54.3602 34.5423 176.6961 20 T 4.5892 7.9673 111.9032 60.1626 72.2679 175.5079 21 N 4.4098 8.5927 118.3413 56.3863 38.4216 177.2392 22 L 3.9376 8.0034 121.1720 57.9493 42.1191 178.5202 23 W 4.1099 8.4480 128.2675 60.6310 30.6140 177.7083 24 L 3.9738 8.3282 120.0080 58.2895 41.5011 178.9813 25 T 3.7966 8.2125 115.9993 66.6684 68.4078 176.5100 26 E 3.8542 8.3052 120.5943 59.7049 29.2815 179.4950 27 T 3.5343 7.4420 114.7029 66.1378 68.4736 175.7772 28 L 4.3001 7.6958 117.4441 53.4568 42.5540 175.8681 29 D 4.2493 7.7025 117.5149 55.4915 39.8917 172.5226 30 K 4.5518 7.8881 116.3791 54.5156 35.0827 176.5883 31 N 4.6955 8.0720 116.9634 52.3782 40.8685 176.7628 32 K 3.8934 8.3375 123.1464 60.5560 32.8183 179.6905 33 T 3.8474 7.7085 116.4044 66.2332 68.4929 176.6766 34 T 3.5378 7.5976 117.3800 66.6105 68.5154 176.5554 35 V 2.4175 6.7559 119.7757 65.4687 31.4803 177.8529 36 S 4.0533 7.8800 112.9026 61.5246 62.2391 176.4382 37 K 4.1900 7.9876 122.2226 58.1991 31.7291 179.4912 38 W 5.2536 7.7665 120.7342 59.8462 28.8531 178.3506 39 C 4.3759 8.1043 115.2512 62.4794 27.5685 175.2618 40 T 4.3593 8.0052 109.5815 60.8792 68.4262 174.8079 41 N 4.2950 8.0538 117.2485 54.8597 36.8345 175.3039 42 D 4.6014 8.2745 120.3821 56.2559 41.5644 177.5479 43 V 4.4887 7.5675 117.3542 61.0043 34.5779 173.7881 44 Q 4.7629 8.5032 125.6396 53.6112 30.1047 174.0074 45 P 4.3019 0.0000 0.0000 62.0637 32.0756 176.8056 46 S 4.2943 8.2559 114.7869 58.1621 65.0268 175.1036 47 L 3.9658 8.3278 123.6493 58.4241 41.9262 178.8683 48 E 3.9562 8.1483 118.0562 59.7956 29.3415 179.3564 49 T 3.9108 8.0439 115.7297 66.4897 68.3875 176.6335 50 L 3.8120 8.0834 121.1122 57.8866 41.5495 179.6491 51 F 3.8830 8.3977 117.4134 60.5137 38.8376 177.4432 52 D 4.4078 8.1169 118.0970 57.3974 40.5920 178.8699 53 I 3.7567 8.1194 120.4083 64.4181 37.1222 178.3769 54 A 3.9564 8.1579 121.7101 55.0388 18.0289 179.3134 55 E 3.8781 8.5048 117.7872 59.3461 29.5265 178.8262 56 A 4.1412 7.9337 119.6620 55.2099 18.6249 179.0638 57 L 4.1846 8.2053 114.8567 54.4571 42.6868 176.1779 58 N 4.1953 7.8759 116.4976 54.9140 37.5616 173.5669 59 V 4.5208 7.5790 108.7754 58.8913 36.0331 175.7430 60 D 4.3492 8.4441 121.6661 54.0571 41.7811 177.4784 61 V 3.3856 8.3736 126.6618 65.2919 30.7698 178.6583 62 R 3.8799 8.2376 118.2273 58.9948 29.6288 178.4905 63 E 4.1207 8.0080 117.0926 58.3346 29.7543 178.4444 64 L 4.1543 7.9592 118.7892 55.2595 41.9424 175.9961 65 I 4.9147 6.7258 119.4219 59.2267 39.2297 176.2107 66 V 3.8540 8.2195 119.8216 61.1101 32.0804 176.3505 67 S 4.3616 8.7077 119.5577 58.6045 62.9365 173.7982 68 T 4.5069 8.3508 113.9270 60.9108 69.4263 174.1829 69 K 3.9951 7.7850 126.9578 57.4319 32.1315 176.3321 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 T 8.17 4.28 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 1.30 0.00 0.00 3 E 8.51 4.27 0.00 2.05 1.95 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 2.24 2.36 0.00 4 R 8.55 3.81 0.00 1.59 1.64 0.00 2.49 0.00 0.00 2.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 5 K 8.46 4.54 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.60 7.81 6 I 7.35 4.45 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.90 0.00 0.00 7 F 9.79 4.66 0.00 3.14 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 8 N 8.52 5.49 0.00 2.93 2.91 0.00 0.00 5.79 7.66 0.00 0.00 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 R 8.51 4.70 0.00 1.93 2.13 0.00 2.77 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 10 L 8.80 3.96 0.00 1.80 1.91 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.14 3.92 0.00 1.91 1.83 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 12 S 8.03 4.12 0.00 4.07 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 13 V 7.90 3.57 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 1.02 0.00 0.00 0.96 0.00 0.00 14 L 8.43 3.94 0.00 1.89 1.93 1.04 0.78 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 15 A 8.06 3.95 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 16 E 8.16 3.91 0.00 2.09 2.00 0.00 0.00 0.00 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 2.52 0.00 17 K 8.05 4.21 0.00 1.65 1.67 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.52 7.81 18 G 7.57 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 19 K 7.87 4.26 0.00 1.48 1.29 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.31 7.81 20 T 7.97 4.59 4.30 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 1.24 0.00 0.00 21 N 8.59 4.41 0.00 2.87 2.94 0.00 0.00 6.42 6.74 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 22 L 8.00 3.94 0.00 1.79 1.74 0.93 0.99 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 23 W 8.45 4.11 0.00 3.48 3.44 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 24 L 8.33 3.97 0.00 2.21 1.98 1.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.21 3.80 4.35 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 1.20 0.00 0.00 26 E 8.31 3.85 0.00 1.83 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 2.27 2.46 0.00 27 T 7.44 3.53 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 28 L 7.70 4.30 0.00 1.75 1.78 1.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.70 4.25 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 30 K 7.89 4.55 0.00 1.66 1.55 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.66 7.81 31 N 8.07 4.70 0.00 2.62 2.64 0.00 0.00 6.56 7.22 0.00 0.00 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 K 8.34 3.89 0.00 1.92 2.01 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 33 T 7.71 3.85 4.16 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 1.15 0.00 0.00 34 T 7.60 3.54 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 0.65 0.00 0.00 35 V 6.76 2.42 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.45 0.00 0.00 36 S 7.88 4.05 0.00 3.95 3.91 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 37 K 7.99 4.19 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 W 7.77 5.25 0.00 3.63 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 39 C 8.10 4.38 0.00 3.19 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 40 T 8.01 4.36 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 41 N 8.05 4.29 0.00 3.00 3.27 0.00 0.00 6.93 7.61 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 42 D 8.27 4.60 0.00 2.73 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 43 V 7.57 4.49 2.21 0.00 0.00 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 0.97 0.00 0.00 44 Q 8.50 4.76 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.08 1.82 0.00 45 P 0.00 4.30 0.00 1.60 0.49 0.00 3.55 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.00 46 S 8.26 4.29 0.00 4.19 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 47 L 8.33 3.97 0.00 1.80 1.72 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.15 3.96 0.00 2.07 1.95 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 2.33 2.35 0.00 49 T 8.04 3.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 50 L 8.08 3.81 0.00 1.91 1.61 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.40 3.88 0.00 3.19 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 52 D 8.12 4.41 0.00 2.93 2.76 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 53 I 8.12 3.76 1.92 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.96 0.00 0.00 54 A 8.16 3.96 1.29 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 0.00 0.00 0.00 55 E 8.50 3.88 0.00 2.15 2.17 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 2.36 2.37 0.00 56 A 7.93 4.14 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.18 0.00 1.76 1.74 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.88 4.20 0.00 2.80 2.86 0.00 0.00 6.92 7.98 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 59 V 7.58 4.52 2.05 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 0.77 0.00 0.00 0.90 0.00 0.00 60 D 8.44 4.35 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.37 3.39 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 0.15 0.00 0.00 0.41 0.00 0.00 62 R 8.24 3.88 0.00 1.91 1.98 0.00 3.10 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 63 E 8.01 4.12 0.00 2.01 1.98 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 2.31 2.30 0.00 64 L 7.96 4.15 0.00 1.73 1.64 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 I 6.73 4.91 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 1.18 0.82 0.94 0.00 0.00 66 V 8.22 3.85 2.05 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 0.59 0.00 0.00 0.92 0.00 0.00 67 S 8.71 4.36 0.00 3.87 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 68 T 8.35 4.51 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 69 K 7.79 4.00 0.00 1.73 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.41 7.81