NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3365 8.0333 117.3247 63.2991 70.7509 172.6878 2 T 4.0408 8.4275 121.6167 63.6368 69.0515 172.0055 3 Y 4.8584 10.0291 126.6250 56.3361 40.6608 174.6221 4 K 5.2800 9.1760 122.6934 54.6597 35.5270 174.9920 5 L 5.5537 9.0050 125.3936 52.0046 45.9403 175.0015 6 I 4.8275 8.0746 117.9235 59.1353 40.9799 173.6606 7 L 5.6663 9.4089 127.0226 52.1983 44.7176 175.2912 8 N 5.1455 8.5369 120.4601 51.5467 40.7185 174.4474 9 L 4.7155 8.0450 124.9720 53.2193 43.2704 177.4078 10 K 4.1593 8.4319 119.8347 59.4462 32.4326 177.6024 11 Q 4.4363 7.2000 116.5180 53.6601 28.1544 175.3603 12 A 4.1873 7.4634 116.4421 52.5815 20.4031 175.5094 13 K 4.4319 8.6218 121.6457 56.5544 33.0165 176.3176 14 E 4.7852 9.0967 126.5349 54.3696 32.5219 174.4344 15 E 5.1935 8.8005 124.5875 55.2191 34.1454 174.0510 16 A 4.6730 8.7638 123.6156 51.3741 23.6182 174.7297 17 I 5.1811 8.1884 118.0277 59.9244 40.9618 175.6892 18 K 4.5639 9.8839 126.1286 54.5021 36.0406 175.1244 19 E 4.7803 8.6297 124.9845 55.9783 30.9319 175.3802 20 L 4.4587 8.6080 124.0211 54.6506 45.3561 174.8564 21 V 4.1454 8.6245 110.5275 63.1609 33.4158 174.9010 22 D 4.9760 7.5895 116.2080 51.7092 44.7540 175.3761 23 A 4.6131 8.9677 122.0904 54.0516 18.3677 179.1133 24 A 4.1187 8.2265 118.9283 56.0162 18.2540 179.9698 25 T 3.7862 7.8078 113.1142 66.3964 68.4972 176.5341 26 A 3.4770 7.4139 122.3039 55.2776 18.1984 179.0954 27 E 3.1157 8.7480 118.5315 59.2772 29.3281 179.1964 28 K 3.8424 7.5111 119.3062 59.6764 32.3425 178.1139 29 Y 3.9086 8.2070 120.0971 60.5214 38.8519 177.1034 30 F 4.8213 9.2213 119.8407 61.0185 39.0938 177.8885 31 K 4.3577 8.2014 118.8868 59.6452 32.0670 178.8858 32 L 3.9955 7.7417 119.2367 57.6197 41.3187 179.0344 33 Y 3.8548 8.1151 119.4449 60.7193 39.0522 177.5468 34 A 3.6179 8.5422 121.5719 54.9269 18.1990 178.7962 35 N 4.4924 8.3643 114.6026 55.5500 39.1535 176.6029 36 A 4.2542 7.3430 120.8501 54.3341 19.5161 179.2161 37 K 3.8672 8.1159 116.4917 60.8925 32.6171 176.7779 38 T 4.5763 7.2453 107.3735 60.5202 70.7203 173.2542 39 V 4.0291 8.2107 120.4555 62.0961 32.9041 176.2834 40 E 4.6427 8.6579 121.9067 54.8728 31.0622 176.0521 41 G 4.0972 7.6818 113.3554 45.1397 0.0000 175.6378 42 V 3.9762 8.7518 119.2173 61.1770 32.7680 174.2592 43 W 5.2948 8.7011 121.2256 55.7565 32.3731 175.0431 44 T 4.6144 9.8550 124.1638 61.9040 70.4687 173.1814 45 Y 4.7589 8.6365 128.1064 56.4468 41.2387 173.9702 46 K 4.5564 7.6801 124.7535 53.9391 34.9502 176.3311 47 D 5.1234 8.3914 126.3289 54.4969 41.6484 176.3206 48 E 4.4023 7.5212 119.5139 57.3451 31.3010 175.1357 49 T 4.1427 7.6883 109.4428 61.3987 69.1254 172.4919 50 K 4.2927 7.6378 118.1305 56.1546 28.9699 173.9837 51 T 5.2550 7.5893 116.2514 61.4925 72.7716 173.3165 52 F 5.2304 9.8431 124.1272 56.0111 42.2787 174.4124 53 T 5.0058 8.9718 119.8161 61.6511 71.8047 173.4145 54 V 5.0512 8.1177 125.0519 59.2196 34.6479 174.4542 55 T 4.8666 7.9494 117.2441 60.7677 71.5850 172.9003 56 E 4.3641 8.4254 125.0460 56.8536 29.7569 174.8649 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 T 8.03 4.34 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 2 T 8.43 4.04 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 3 Y 10.03 4.86 0.00 2.75 2.40 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 4 K 9.18 5.28 0.00 1.82 1.76 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 5 L 9.00 5.55 0.00 0.27 0.40 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.07 4.83 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.88 0.00 0.00 7 L 9.41 5.67 0.00 1.71 1.53 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.54 5.15 0.00 2.55 2.70 0.00 0.00 7.10 6.68 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 9 L 8.04 4.72 0.00 1.73 1.61 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.43 4.16 0.00 1.68 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.47 7.81 11 Q 7.20 4.44 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 12 A 7.46 4.19 1.23 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 0.00 0.00 0.00 13 K 8.62 4.43 0.00 1.65 1.94 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 14 E 9.10 4.79 0.00 2.08 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 2.30 2.50 0.00 15 E 8.80 5.19 0.00 1.82 1.76 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 2.19 2.36 0.00 16 A 8.76 4.67 1.17 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 0.00 0.00 0.00 17 I 8.19 5.18 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 1.03 0.00 0.00 18 K 9.88 4.56 0.00 0.97 1.23 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.58 7.81 19 E 8.63 4.78 0.00 1.92 1.76 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 2.36 2.31 0.00 20 L 8.61 4.46 0.00 1.53 1.58 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.62 4.15 2.10 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 0.78 0.00 0.00 0.93 0.00 0.00 22 D 7.59 4.98 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.97 4.61 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.12 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 T 7.81 3.79 4.19 0.00 0.00 0.00 0.00 0.00 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 26 A 7.41 3.48 0.27 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 27 E 8.75 3.12 0.00 1.83 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 0.00 2.11 1.99 0.00 28 K 7.51 3.84 0.00 1.91 1.92 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 29 Y 8.21 3.91 0.00 2.97 2.79 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 30 F 9.22 4.82 0.00 2.77 2.86 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 0.00 0.00 0.00 31 K 8.20 4.36 0.00 1.73 1.82 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.41 7.81 32 L 7.74 4.00 0.00 1.97 1.58 0.93 0.92 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 33 Y 8.12 3.85 0.00 2.93 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 34 A 8.54 3.62 1.49 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 0.00 0.00 35 N 8.36 4.49 0.00 3.04 2.87 0.00 0.00 7.16 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 36 A 7.34 4.25 1.23 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 0.00 0.00 0.00 37 K 8.12 3.87 0.00 0.94 1.43 0.00 1.06 0.00 0.00 0.92 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.56 1.16 7.81 38 T 7.25 4.58 4.19 0.00 0.00 0.00 0.00 0.00 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 39 V 8.21 4.03 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 40 E 8.66 4.64 0.00 2.43 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 0.00 2.47 2.35 0.00 41 G 7.68 4.10 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 0.00 0.00 0.00 42 V 8.75 3.98 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 0.64 0.00 0.00 0.96 0.00 0.00 43 W 8.70 5.29 0.00 3.17 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 44 T 9.86 4.61 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 45 Y 8.64 4.76 0.00 2.83 2.72 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 0.00 0.00 0.00 0.00 46 K 7.68 4.56 0.00 1.42 1.41 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.26 7.81 47 D 8.39 5.12 0.00 2.66 2.65 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 48 E 7.52 4.40 0.00 1.86 1.85 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 2.16 2.16 0.00 49 T 7.69 4.14 4.19 0.00 0.00 0.00 0.00 0.00 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 50 K 7.64 4.29 0.00 1.59 0.74 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.91 1.38 7.81 51 T 7.59 5.25 4.09 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 1.25 0.00 0.00 52 F 9.84 5.23 0.00 2.98 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 53 T 8.97 5.01 4.33 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 1.15 0.00 0.00 54 V 8.12 5.05 0.67 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 0.21 0.00 0.00 -0.08 0.00 0.00 55 T 7.95 4.87 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 1.14 0.00 0.00 56 E 8.43 4.36 0.00 2.01 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00