NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1259 8.0093 120.7866 61.0439 39.0617 174.5473 2 T 4.4728 8.3821 117.5167 59.3026 71.1344 171.6389 3 A 4.7178 8.8396 126.0539 50.1446 23.3333 177.1094 4 K 4.2973 8.3038 119.0656 55.2920 32.9572 175.4789 5 P 4.4636 0.0000 0.0000 61.6133 31.9834 176.5341 6 A 4.0462 8.4335 122.8188 52.8608 18.6185 178.4047 7 K 4.1795 8.7171 122.4074 58.9786 32.9506 177.8143 8 T 4.6488 7.3712 106.7851 58.2741 68.3122 171.4865 9 P 4.0329 0.0000 0.0000 64.4296 31.8846 176.9875 10 T 4.4448 8.1958 118.4657 61.7791 68.4618 175.1415 11 S 4.3503 8.5039 122.2469 57.4677 64.9053 173.2885 12 P 4.2227 0.0000 0.0000 65.5256 31.0073 178.8401 13 K 3.8772 7.9491 117.7910 59.6958 32.1864 178.3719 14 E 3.9761 7.8165 118.3205 59.5672 29.3072 179.5542 15 Q 3.9088 8.2015 117.6255 58.9698 28.8472 178.4070 16 A 3.9058 8.2102 122.0657 55.4752 18.2188 179.8527 17 I 3.7831 7.9300 118.1890 64.3728 37.2048 178.9168 18 G 3.5611 8.1800 106.7992 47.6467 0.0000 175.5657 19 L 3.8420 8.5178 123.1485 57.7739 42.0754 179.2089 20 S 4.0003 7.9258 115.0874 61.6274 62.8382 176.7593 21 V 3.6433 7.9952 121.0359 66.3316 30.7345 178.0134 22 T 4.0408 7.9942 115.2875 66.8633 68.3238 176.3290 23 F 4.2603 8.5478 119.4730 60.9246 38.9772 177.8452 24 L 4.1319 8.3334 118.6021 57.8608 41.2389 179.7254 25 S 4.1964 8.3033 112.8279 60.7537 62.9079 175.9238 26 F 4.3106 7.7614 120.1872 59.8228 39.4543 177.5710 27 L 4.3004 8.4539 118.8783 57.4180 41.4787 179.1889 28 L 4.0389 8.2088 119.1279 57.4157 41.5847 177.5160 29 P 4.2436 0.0000 0.0000 65.8738 31.2965 178.6096 30 A 4.2437 8.1245 119.0669 55.0163 18.3306 179.7542 31 G 3.6455 8.4839 104.5310 47.5208 0.0000 175.6599 32 W 4.1728 8.3813 130.0881 60.3180 31.0851 177.8272 33 V 3.8899 8.0435 117.6516 66.2843 31.1730 177.8698 34 L 4.0622 8.2277 118.6559 58.0941 41.2288 178.9612 35 Y 4.0364 8.3055 118.8681 60.5630 38.8330 176.8292 36 H 4.2733 7.8050 114.9429 55.5009 28.7770 176.7603 37 L 4.0046 7.3853 124.0461 58.2359 41.4597 179.1773 38 D 4.2479 7.7578 117.8380 57.5583 40.6323 178.4825 39 N 4.2217 7.2298 115.0428 55.7019 38.6504 176.1197 40 Y 4.6842 7.1355 117.1914 59.8222 38.7869 177.7394 41 K 3.9781 7.9829 118.2389 59.5502 32.3557 179.3351 42 K 3.9849 7.7544 116.4817 57.9041 31.9499 177.2810 43 S 4.5859 7.8480 120.1464 58.6824 63.2452 168.5258 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 I 8.01 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.38 4.47 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 3 A 8.84 4.72 1.20 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 4 K 8.30 4.30 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.46 0.00 2.04 1.97 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 6 A 8.43 4.05 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 0.00 0.00 0.00 0.00 0.00 7 K 8.72 4.18 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.37 4.65 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 9 P 0.00 4.03 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 10 T 8.20 4.44 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 1.20 0.00 0.00 11 S 8.50 4.35 0.00 4.08 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 0.00 12 P 0.00 4.22 0.00 2.16 2.13 0.00 3.59 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 2.10 2.14 0.00 13 K 7.95 3.88 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 14 E 7.82 3.98 0.00 2.20 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 0.00 2.33 2.35 0.00 15 Q 8.20 3.91 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 16 A 8.21 3.91 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 17 I 7.93 3.78 2.02 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 1.44 0.85 0.90 0.00 0.00 18 G 8.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 3.84 0.00 1.63 1.44 0.72 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 0.00 0.00 0.00 0.00 20 S 7.93 4.00 0.00 4.05 3.88 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 0.00 0.00 0.00 21 V 8.00 3.64 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 7.99 4.04 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 23 F 8.55 4.26 0.00 3.21 3.13 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 24 L 8.33 4.13 0.00 2.12 1.79 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.30 4.20 0.00 4.00 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 26 F 7.76 4.31 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 27 L 8.45 4.30 0.00 1.75 1.76 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.21 4.04 0.00 1.71 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.24 0.00 2.15 2.09 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 30 A 8.12 4.24 1.39 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 0.00 0.00 31 G 8.48 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.38 4.17 0.00 3.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.89 2.27 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 1.14 0.00 0.00 1.28 0.00 0.00 34 L 8.23 4.06 0.00 1.92 1.77 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.31 4.04 0.00 3.02 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 36 H 7.81 4.27 0.00 2.67 2.33 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.39 4.00 0.00 1.81 1.69 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.76 4.25 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.23 4.22 0.00 2.07 2.68 0.00 0.00 7.05 7.78 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 40 Y 7.14 4.68 0.00 3.07 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 41 K 7.98 3.98 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.61 7.81 42 K 7.75 3.98 0.00 1.71 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.70 1.58 7.81 43 S 7.85 4.59 0.00 4.01 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 0.00