NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.4669 8.0333 117.3510 63.8312 70.3477 172.7260 10 F 4.8291 8.9832 126.3328 54.9307 42.4681 169.5259 11 V 4.6813 8.6701 120.6056 61.2274 35.1948 174.4493 12 A 4.3443 8.6461 129.8474 50.8870 17.3415 177.4741 13 L 3.3853 8.1275 122.2626 58.2486 42.1976 177.1559 14 Y 4.9767 7.4232 112.8261 56.3349 42.6427 174.6244 15 D 5.3606 9.0949 120.9183 54.8299 41.9238 174.7726 16 Y 4.6751 8.2089 125.6841 56.1226 40.3880 174.1337 17 E 4.3026 8.1396 126.0325 54.3957 29.4184 175.9795 18 S 3.8761 7.3315 120.6994 58.2356 63.5311 174.3336 19 R 4.3495 8.4512 117.2500 55.7860 32.2083 175.3713 20 T 4.4022 7.5186 110.9648 60.3125 69.4869 173.1871 21 E 4.4535 8.5016 120.4179 56.5939 29.8162 177.3299 22 T 4.3057 7.7937 111.1714 63.2546 69.9589 174.4496 23 D 5.5441 7.7585 120.1599 52.8281 42.5171 176.0346 24 L 4.7994 8.3751 120.6964 53.5254 44.2197 176.0006 25 S 5.0548 8.6893 116.8031 56.7828 64.5398 173.4816 26 F 5.3433 7.5056 118.1732 55.1546 41.9026 173.2295 27 K 5.8594 8.8177 116.5669 53.4825 36.0189 175.8971 28 K 5.0677 8.4642 122.2271 57.3621 32.3436 176.9541 29 G 3.9505 8.8465 115.2522 44.8528 0.0000 172.9822 30 E 4.1873 7.9058 121.0371 56.3209 30.9168 175.5256 31 R 5.1546 8.4708 124.2919 54.7379 32.3154 175.6871 32 L 4.8089 8.3997 121.9649 52.7662 46.1926 175.5206 33 Q 4.4321 8.6865 125.0799 55.8439 29.9022 175.2599 34 I 3.7119 8.2557 127.9512 61.6796 37.3794 174.3926 35 V 4.0684 8.5865 123.6434 62.3426 33.4154 174.2653 36 N 4.8998 7.7931 118.9826 51.0690 41.4230 174.4787 37 N 4.4746 8.1704 126.3914 52.7809 37.4619 174.5026 38 T 4.5104 7.7850 107.9615 62.7618 69.1456 173.4161 39 E 4.4170 8.5500 121.1603 57.6126 31.1003 175.5766 40 G 4.1288 7.4811 109.7999 46.3962 0.0000 173.2505 41 D 4.7969 8.7960 125.9495 53.7606 41.9297 174.8110 42 W 5.1149 8.1606 118.2699 54.8612 32.3537 174.6322 43 W 5.5956 8.4491 123.7027 54.0938 32.6685 174.8757 44 L 3.9739 8.0429 123.8559 54.0776 42.6024 175.7580 45 A 5.0465 8.4174 128.3041 50.8231 22.5487 174.9246 46 H 5.1367 8.8954 117.8263 54.4655 32.6118 172.7830 47 S 4.5620 8.6996 123.5195 58.8598 63.1885 175.5144 48 L 4.3033 8.6309 123.8363 55.9718 42.2081 178.2354 49 T 3.9689 7.8891 115.3985 66.4797 68.7414 174.9017 50 T 4.1630 7.6541 113.6518 64.0074 68.9030 175.0034 51 G 4.3429 7.9964 109.1099 46.5114 0.0000 171.5870 52 Q 4.8620 7.7856 116.5371 54.2742 33.9432 176.0529 53 T 5.1131 8.0792 115.7750 62.0854 72.2194 174.2728 54 G 4.1344 8.8086 106.7484 45.6683 0.0000 173.0439 55 Y 5.4538 8.9530 123.4688 58.3528 39.7154 175.2377 56 I 5.0727 8.4031 111.2654 59.4074 41.1183 172.3137 57 P 2.9700 0.0000 0.0000 61.5266 31.8041 177.4843 58 S 3.1862 7.0940 118.4779 60.4557 62.8788 176.2569 59 N 4.3867 7.6096 117.3077 55.1173 37.4850 175.0869 60 Y 4.5682 7.9328 115.7938 57.8564 38.4760 174.7077 61 V 5.1355 7.2418 118.2975 60.0243 35.0671 174.5815 62 A 4.7155 8.5627 121.1124 49.7501 23.0042 173.8293 63 P 2.9700 0.0000 0.0000 61.8135 32.0573 176.3974 64 S 4.1664 7.3660 115.6651 58.0370 62.3242 173.3737 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 9 T 8.03 4.47 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 1.25 0.00 0.00 10 F 8.98 4.83 0.00 2.94 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 11 V 8.67 4.68 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 0.85 0.00 0.00 0.86 0.00 0.00 12 A 8.65 4.34 0.87 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 0.00 0.00 13 L 8.13 3.39 0.00 0.96 0.23 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.42 4.98 0.00 2.65 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 15 D 9.09 5.36 0.00 2.83 2.83 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 0.00 0.00 0.00 0.00 16 Y 8.21 4.68 0.00 2.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.30 0.00 1.77 1.80 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 2.07 2.05 0.00 18 S 7.33 3.88 0.00 3.87 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 19 R 8.45 4.35 0.00 1.69 1.88 0.00 3.15 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 20 T 7.52 4.40 4.11 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 1.04 0.00 0.00 21 E 8.50 4.45 0.00 1.96 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 2.26 2.26 0.00 22 T 7.79 4.31 3.99 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 1.07 0.00 0.00 23 D 7.76 5.54 0.00 2.79 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.80 0.00 1.71 1.69 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.69 5.05 0.00 3.52 3.59 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 26 F 7.51 5.34 0.00 3.21 3.33 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 27 K 8.82 5.86 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.27 7.81 28 K 8.46 5.07 0.00 1.93 1.80 0.00 1.62 0.00 0.00 2.37 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.55 7.81 29 G 8.85 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 30 E 7.91 4.19 0.00 2.16 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 2.37 2.34 0.00 31 R 8.47 5.15 0.00 1.74 1.84 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 L 8.40 4.81 0.00 1.57 1.53 0.61 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.69 4.43 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 I 8.26 3.71 1.31 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 0.56 -0.36 0.41 0.00 0.00 35 V 8.59 4.07 2.11 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 0.77 0.00 0.00 0.94 0.00 0.00 36 N 7.79 4.90 0.00 2.72 2.63 0.00 0.00 6.47 6.72 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 37 N 8.17 4.47 0.00 1.44 1.64 0.00 0.00 5.19 7.31 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 38 T 7.78 4.51 4.15 0.00 0.00 0.00 0.00 0.00 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 39 E 8.55 4.42 0.00 2.12 2.20 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 2.42 2.49 0.00 40 G 7.48 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 0.00 0.00 0.00 0.00 41 D 8.80 4.80 0.00 2.61 2.34 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 42 W 8.16 5.11 0.00 3.25 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.45 5.60 0.00 3.29 2.85 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 44 L 8.04 3.97 0.00 0.85 1.27 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.42 5.05 1.32 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 0.00 0.00 0.00 46 H 8.90 5.14 0.00 3.24 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.70 4.56 0.00 3.82 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 48 L 8.63 4.30 0.00 1.64 1.73 0.95 1.03 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 49 T 7.89 3.97 4.26 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 1.23 0.00 0.00 50 T 7.65 4.16 4.26 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 1.24 0.00 0.00 51 G 8.00 4.34 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 0.00 52 Q 7.79 4.86 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 T 8.08 5.11 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 1.35 0.00 0.00 54 G 8.81 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 0.00 0.00 0.00 0.00 55 Y 8.95 5.45 0.00 3.16 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 5.07 2.14 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 1.52 0.61 1.41 0.00 0.00 57 P 0.00 2.97 0.00 1.75 0.53 0.00 3.52 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 58 S 7.09 3.19 0.00 2.76 2.78 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 59 N 7.61 4.39 0.00 2.89 2.92 0.00 0.00 6.12 7.71 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 60 Y 7.93 4.57 0.00 3.15 3.55 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 61 V 7.24 5.14 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 0.59 0.00 0.00 1.21 0.00 0.00 62 A 8.56 4.72 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 63 P 0.00 2.97 0.00 1.75 1.47 0.00 3.54 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 64 S 7.37 4.17 0.00 3.73 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00