NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6602 8.3493 120.5191 53.5063 42.1066 174.7661 4 P 4.6065 0.0000 0.0000 62.2301 33.5102 173.1626 5 K 5.0172 9.3917 121.6123 54.9617 35.0308 176.4899 6 F 5.1972 9.4234 123.1681 55.6392 42.6565 173.5723 7 E 5.1989 9.4223 122.7544 54.3592 32.0152 174.7954 8 A 4.7003 8.9825 128.9796 52.2291 18.9205 177.7468 9 A 4.3528 9.1783 124.7422 52.7253 20.2818 176.6058 10 Y 4.6572 7.6763 110.9843 55.6759 42.0216 175.1751 11 D 4.4767 8.8064 121.4162 55.2880 41.8862 176.7762 12 F 5.2421 9.1571 124.4172 55.8575 39.6208 173.1549 13 P 4.1080 0.0000 0.0000 62.8080 32.3613 179.2617 14 G 3.2544 7.0310 107.0536 45.2430 0.0000 172.8534 15 S 4.5025 8.7160 112.8547 57.4213 64.5230 175.0488 16 G 4.0211 8.4909 107.2204 45.2603 0.0000 174.1272 17 S 4.2135 7.9644 114.4936 58.3979 62.8052 174.7068 18 S 4.5242 8.4784 119.6664 59.4479 63.5711 175.0718 19 S 4.4130 7.9548 117.7992 60.1210 63.0789 173.3535 20 E 5.1724 7.6713 119.5084 54.7107 31.3657 175.4707 21 L 4.7126 8.6004 125.1770 52.6977 43.5047 174.3828 22 P 4.7480 0.0000 0.0000 62.7242 32.0231 176.0047 23 L 5.0181 9.2315 123.4915 53.0234 45.2996 175.8031 24 K 4.8341 8.5435 119.8848 54.1840 35.4620 175.7810 25 K 4.0318 8.4934 123.1014 57.8110 32.4427 177.3877 26 G 4.0227 8.9849 114.5393 44.6961 0.0000 173.5471 27 D 4.6008 7.5773 118.8024 54.4907 42.2026 175.3896 28 I 4.8907 8.0450 120.9168 59.7586 40.2999 175.1618 29 V 4.4937 8.4818 118.4567 59.8479 36.8406 174.3654 30 F 5.4233 8.8980 120.4478 56.0915 41.1661 175.4004 31 I 5.0284 8.4735 120.9638 60.0303 39.3714 175.2135 32 S 4.5880 8.7520 122.1115 59.5438 64.6756 175.1070 33 R 4.7622 7.6525 117.7745 54.1884 34.2078 174.0106 34 D 5.5293 8.8628 122.0818 52.7059 43.4448 175.3313 35 E 4.9824 9.2698 121.6394 53.7361 32.9041 175.6001 36 P 4.2915 0.0000 0.0000 65.3644 31.7764 177.7954 37 S 4.0776 8.1532 113.3209 60.5081 62.8250 175.0501 38 G 3.9411 7.7723 108.8512 44.6381 0.0000 172.5900 39 W 5.3054 7.9102 118.9755 54.7606 32.2605 175.0561 40 S 5.3527 9.5907 118.8594 56.7279 66.2815 173.2510 41 L 3.8328 9.0190 127.1892 54.2355 42.3577 175.1178 42 A 5.2008 8.2689 128.3897 50.1633 21.8775 175.2295 43 K 5.0608 8.6872 120.9126 54.2480 35.9331 175.9844 44 L 4.4383 8.5902 126.6515 54.7092 42.4780 178.4285 45 L 4.0257 8.4493 120.7125 57.8361 41.6688 178.2562 46 D 4.4979 8.1054 115.3757 53.5293 39.8247 177.0778 47 G 3.9903 8.0822 108.3297 45.9903 0.0000 174.8502 48 S 4.3580 8.2348 115.5116 60.0521 63.7500 174.7222 49 K 4.7447 7.7757 119.0568 54.4301 36.3950 174.9600 50 E 5.0132 8.4703 123.9328 54.4944 32.5569 174.7426 51 G 4.0559 8.3427 111.3989 45.3639 0.0000 172.6984 52 W 4.9699 8.8114 121.6607 56.7432 30.5488 176.0350 53 V 4.7895 9.2138 115.1495 58.7996 36.4864 173.2709 54 P 3.6509 0.0000 0.0000 62.5647 31.3748 177.5949 55 T 3.7395 8.3427 121.3633 66.6194 68.6308 176.5329 56 A 4.0078 7.5254 122.7881 55.1326 18.5875 177.7147 57 Y 4.8148 7.8294 112.1767 59.4815 38.3650 174.4771 58 M 5.1674 7.8834 120.7412 53.9054 33.7080 175.4238 59 T 4.8663 8.8411 118.4609 59.2484 70.9568 171.2202 60 P 3.8666 0.0000 0.0000 63.4617 31.9476 174.9696 61 Y 4.6179 7.9819 124.7804 56.8812 39.6737 174.9608 62 K 4.2193 7.7277 124.2888 54.7370 36.5393 174.9739 63 D 4.6930 7.7234 120.2077 51.6237 42.4855 176.3024 64 T 3.9854 8.3477 115.7789 65.6974 68.5237 175.8521 65 R 4.1854 7.2368 120.3139 58.4775 30.5898 177.8153 66 N 4.4740 8.2917 115.7132 55.9385 38.6185 175.7533 67 T 4.5728 7.6579 107.2236 61.7566 69.3757 174.2851 68 V 4.3803 7.1700 121.0238 61.1794 33.7394 174.3180 69 P 4.5026 0.0000 0.0000 61.6454 29.8618 176.3923 70 V 3.7411 7.9768 124.9402 63.7197 31.4074 175.7452 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 3 D 8.35 4.66 0.00 2.39 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 4 P 0.00 4.61 0.00 2.36 2.28 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 5 K 9.39 5.02 0.00 1.74 1.55 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.60 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.03 1.54 7.81 6 F 9.42 5.20 0.00 2.86 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.42 5.20 0.00 2.17 1.89 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 2.27 2.28 0.00 8 A 8.98 4.70 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 9 A 9.18 4.35 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 10 Y 7.68 4.66 0.00 1.43 2.16 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 0.00 11 D 8.81 4.48 0.00 2.58 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 12 F 9.16 5.24 0.00 3.56 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 13 P 0.00 4.11 0.00 2.14 2.12 0.00 3.94 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 14 G 7.03 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.50 0.00 3.95 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 16 G 8.49 4.02 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 0.00 0.00 0.00 17 S 7.96 4.21 0.00 3.90 3.87 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 18 S 8.48 4.52 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.41 0.00 3.84 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 20 E 7.67 5.17 0.00 2.19 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 2.69 2.25 0.00 21 L 8.60 4.71 0.00 1.78 1.75 0.96 0.81 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 22 P 0.00 4.75 0.00 2.00 1.94 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 23 L 9.23 5.02 0.00 1.85 1.67 1.11 0.53 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 24 K 8.54 4.83 0.00 1.68 1.73 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 25 K 8.49 4.03 0.00 1.88 1.68 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.31 7.81 26 G 8.98 4.02 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 0.00 0.00 0.00 27 D 7.58 4.60 0.00 2.90 2.61 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 0.00 0.00 0.00 0.00 28 I 8.04 4.89 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.53 0.35 0.00 0.00 29 V 8.48 4.49 2.22 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 0.74 0.00 0.00 0.98 0.00 0.00 30 F 8.90 5.42 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.47 5.03 1.63 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.72 0.00 0.00 32 S 8.75 4.59 0.00 3.84 3.92 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 0.00 0.00 0.00 33 R 7.65 4.76 0.00 1.67 1.90 0.00 3.07 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 1.61 1.56 0.00 34 D 8.86 5.53 0.00 2.56 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 35 E 9.27 4.98 0.00 2.03 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 2.35 2.48 0.00 36 P 0.00 4.29 0.00 2.17 2.18 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 S 8.15 4.08 0.00 4.14 4.07 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 38 G 7.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.91 5.31 0.00 3.11 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 40 S 9.59 5.35 0.00 3.68 3.66 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 0.00 0.00 0.00 0.00 41 L 9.02 3.83 0.00 0.27 1.08 -0.49 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.27 5.20 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 43 K 8.69 5.06 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 44 L 8.59 4.44 0.00 1.69 1.59 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.45 4.03 0.00 1.57 1.67 0.69 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.11 4.50 0.00 2.79 2.80 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 0.00 0.00 0.00 47 G 8.08 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 0.00 0.00 0.00 0.00 48 S 8.23 4.36 0.00 4.03 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 49 K 7.78 4.74 0.00 1.68 1.68 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 50 E 8.47 5.01 0.00 1.88 1.71 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 0.00 1.99 2.30 0.00 51 G 8.34 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 0.00 0.00 0.00 0.00 52 W 8.81 4.97 0.00 3.12 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 53 V 9.21 4.79 2.02 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 0.88 0.00 0.00 0.98 0.00 0.00 54 P 0.00 3.65 0.00 0.89 0.87 0.00 2.80 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.83 0.00 55 T 8.34 3.74 4.17 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 1.15 0.00 0.00 56 A 7.53 4.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.81 0.00 3.08 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 58 M 7.88 5.17 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.76 0.00 59 T 8.84 4.87 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 1.37 0.00 0.00 60 P 0.00 3.87 0.00 1.86 1.75 0.00 3.78 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 2.03 2.08 0.00 61 Y 7.98 4.62 0.00 2.86 2.89 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 62 K 7.73 4.22 0.00 1.53 1.43 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 1.28 7.81 63 D 7.72 4.69 0.00 2.67 2.56 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 64 T 8.35 3.99 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 1.18 0.00 0.00 65 R 7.24 4.19 0.00 1.88 1.97 0.00 3.17 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 66 N 8.29 4.47 0.00 2.78 2.80 0.00 0.00 6.63 6.50 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 67 T 7.66 4.57 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 1.15 0.00 0.00 68 V 7.17 4.38 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 0.83 0.00 0.00 0.98 0.00 0.00 69 P 0.00 4.50 0.00 2.21 2.07 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 70 V 7.98 3.74 2.08 0.00 0.00 0.00 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 0.99 0.00 0.00