NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4034 8.1914 115.6529 59.1571 30.8574 174.4455 2 G 3.6938 8.7475 107.6336 45.2248 0.0000 172.4651 3 L 4.4606 7.9878 121.4352 52.7170 42.1860 174.4646 4 R 4.1076 8.7217 123.7374 55.4377 31.1189 176.1483 5 P 4.2275 0.0000 0.0000 65.8439 31.3688 177.8074 6 L 4.2518 7.8229 113.5782 54.9796 41.4542 176.7064 7 F 4.7589 7.6191 115.9025 58.3718 42.5009 176.7441 8 E 4.0734 8.5925 119.6589 59.8974 29.9857 180.0849 9 K 4.0894 8.0696 116.0986 58.8598 32.2540 177.9836 10 K 4.1887 7.2751 115.1994 56.0360 32.4893 176.3344 11 Q 3.6468 7.7721 116.8216 57.3040 26.3123 173.6775 12 V 4.4329 8.2010 116.9183 61.0245 33.8634 174.6360 13 Q 4.5806 8.6936 126.5592 55.1398 29.6086 175.6210 14 D 4.7357 8.6536 122.1251 52.7011 40.4147 176.3118 14A Q 4.1259 8.8277 119.8946 59.3172 28.8203 178.6859 14B T 4.2859 7.8002 105.1710 61.7553 69.7776 175.7201 14C E 3.7321 8.2700 123.7847 59.5242 29.3348 178.5600 14D K 4.1330 8.0682 119.0968 59.4275 32.2828 178.2140 14E E 3.9122 8.2845 118.8964 59.4212 29.1814 179.2801 14F L 3.6096 7.5354 116.8250 57.8547 41.9725 179.2313 14G F 3.8375 7.1324 116.0512 60.2652 38.8019 177.3199 14H E 3.9706 8.3043 119.2802 59.3312 29.2235 179.0789 14I S 4.2352 7.8305 112.9618 61.3563 63.0589 175.7179 14J Y 4.5355 7.5761 119.7831 60.3010 37.6851 175.6246 14K I 4.0947 7.6632 124.8242 61.4242 37.3761 175.4142 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 C 8.19 4.40 0.00 3.13 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 2 G 8.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.46 0.00 1.68 1.69 0.94 0.84 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 4 R 8.72 4.11 0.00 2.28 2.11 0.00 3.14 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 5 P 0.00 4.23 0.00 2.18 2.13 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 6 L 7.82 4.25 0.00 1.34 1.26 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.62 4.76 0.00 3.06 2.99 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 0.00 8 E 8.59 4.07 0.00 2.23 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 2.47 2.49 0.00 9 K 8.07 4.09 0.00 1.97 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 K 7.28 4.19 0.00 1.83 1.80 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.47 7.81 11 Q 7.77 3.65 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 12 V 8.20 4.43 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 0.88 0.00 0.00 0.94 0.00 0.00 13 Q 8.69 4.58 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 14 D 8.65 4.74 0.00 2.39 1.67 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 14A Q 8.83 4.13 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 14B T 7.80 4.29 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14C E 8.27 3.73 0.00 2.42 2.12 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 2.46 2.25 0.00 14D K 8.07 4.13 0.00 1.90 1.80 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.57 7.81 14E E 8.28 3.91 0.00 2.04 1.92 0.00 0.00 0.00 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 2.40 0.00 14F L 7.54 3.61 0.00 1.01 1.13 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14G F 7.13 3.84 0.00 3.04 2.96 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 0.00 0.00 0.00 14H E 8.30 3.97 0.00 2.24 2.01 0.00 0.00 0.00 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 2.33 0.00 14I S 7.83 4.24 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.58 4.54 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 7.66 4.09 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.95 0.00 0.00