NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2226 8.3349 116.7628 57.2184 63.1968 171.2107 2 P 3.7545 0.0000 0.0000 62.1924 31.6023 174.5969 3 Y 4.6172 9.0153 123.4907 57.3669 38.0070 173.6009 4 S 4.6956 7.7844 119.9536 58.2488 66.4468 175.1103 5 S 4.7444 7.6802 120.9742 55.9633 63.3855 173.7812 6 D 4.3803 7.6836 128.0240 53.7929 41.1329 175.2641 7 T 4.1783 8.3398 114.1770 62.5802 68.3463 175.2943 8 T 4.1998 7.8555 119.9229 61.4398 71.0152 172.0821 9 P 4.2756 0.0000 0.0000 63.3913 32.0130 176.0758 10 C 5.1401 8.4668 121.0715 55.4155 44.6821 173.5810 11 C 5.0910 8.7179 118.2240 55.1618 45.4399 171.3482 12 F 4.2864 8.1938 121.6015 57.8329 41.2848 174.7624 13 A 4.1621 7.6962 124.6536 50.2515 21.5000 175.5711 14 Y 4.6852 7.3042 117.8286 56.3711 39.4390 175.8196 15 I 3.8105 8.1539 123.3117 61.4890 39.0785 176.9059 16 A 4.5175 8.3915 132.5623 49.0161 17.3527 177.0664 17 R 4.4172 7.3814 121.8325 54.5881 33.1786 171.3956 18 P 2.0000 0.0000 0.0000 61.2350 30.2351 175.5495 19 L 3.7571 7.5396 123.1378 53.9527 42.0385 175.9761 20 P 3.6799 0.0000 0.0000 62.4567 31.4098 177.2633 21 R 3.5351 7.5829 122.9959 59.1845 29.4099 178.3345 22 A 3.9839 7.4683 119.4105 55.5109 18.9659 178.8481 23 H 4.4073 8.1030 113.9496 57.1036 28.7479 176.0092 24 I 4.5163 6.4056 119.9002 60.5740 38.0430 175.1335 25 K 4.6191 8.1088 122.2504 57.5753 34.6265 175.3247 26 E 5.1349 7.9301 115.5967 57.3612 33.0958 173.7384 27 Y 5.2626 7.9648 114.7539 56.6953 40.9425 174.0063 28 F 4.6272 9.0205 124.6279 56.1500 41.9871 173.2610 29 Y 5.0807 8.5742 128.0468 57.0067 39.0634 175.6750 30 T 3.9248 7.6636 116.4757 61.4833 69.3988 174.5301 31 S 3.8693 8.1581 115.2496 59.9949 62.5513 174.6038 32 G 4.0756 7.9022 107.7667 45.3279 0.0000 173.8167 33 K 4.7722 7.3837 113.2170 55.9007 33.2739 174.2613 34 C 4.7102 8.1621 109.9386 56.0225 42.3958 174.6266 35 S 3.6705 8.1902 113.2271 60.2703 60.4819 172.5018 36 N 4.6397 7.5785 107.8878 52.1017 40.6806 173.4068 37 P 4.5412 0.0000 0.0000 62.2368 33.1163 177.1793 38 A 4.2917 6.6238 119.2239 52.6849 23.4489 174.6834 39 V 4.5328 7.4843 107.1683 60.1443 35.9367 175.3490 40 V 4.4278 8.5287 126.6684 61.2424 31.6726 173.7918 41 F 5.5460 8.9155 126.0210 57.6619 40.1808 175.1598 42 V 4.6036 8.7316 119.1599 60.6134 31.4251 177.0329 43 T 4.5230 8.0969 117.3699 60.6363 70.6290 174.7015 44 R 3.8998 7.8516 116.4839 60.3219 27.9962 178.0424 45 K 3.8974 7.9618 118.4020 56.8248 32.3104 178.0877 46 N 4.5028 8.2572 114.7176 53.7909 37.8452 173.9563 47 R 4.0152 7.2171 114.5479 56.4170 30.8217 177.2942 48 Q 4.2507 8.7819 121.9326 56.2092 28.3803 174.7444 49 V 4.2675 8.4118 124.9769 61.5210 33.3594 174.7504 50 C 5.1708 8.9679 127.7380 56.5489 45.2517 173.9840 51 A 4.8371 8.4958 121.0242 52.3714 21.0346 172.3290 52 N 3.6741 8.6029 123.3489 52.8188 39.9997 172.5986 53 P 4.1912 0.0000 0.0000 64.9266 31.8760 176.5520 54 E 4.4038 7.2350 118.2327 55.7248 29.7564 175.7776 55 K 4.1196 7.5038 113.8290 55.1360 32.6934 177.5973 56 K 3.7144 7.4626 119.3716 56.4572 30.6818 177.0328 57 W 4.1886 8.4195 122.4772 60.2038 28.2446 178.7205 58 V 2.8741 5.7961 112.4324 64.3295 30.9402 178.5741 59 R 3.7955 7.4507 117.3277 59.0787 29.9030 178.9734 60 E 4.0716 7.9298 117.8743 59.0924 29.4050 178.2329 61 Y 4.7991 7.6541 116.0684 59.8283 38.2565 177.9217 62 I 3.0631 7.5691 120.2822 64.3596 37.2439 177.8503 63 N 4.5413 7.8202 115.7349 56.5381 38.5175 177.5682 64 S 4.2811 7.6620 113.8148 60.1726 63.2777 174.9175 65 L 4.4579 7.4287 121.4805 54.0743 42.3452 175.8490 66 E 4.5114 8.5418 121.9813 54.5146 30.8685 175.1956 67 M 4.0246 8.6959 123.3633 56.2282 31.7245 176.0546 68 S 4.3819 8.4691 121.0846 58.6737 63.1622 174.5905 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 S 8.33 4.22 0.00 3.56 3.61 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 2 P 0.00 3.75 0.00 2.06 1.95 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 3 Y 9.02 4.62 0.00 3.08 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 4 S 7.78 4.70 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.68 4.74 0.00 3.94 3.85 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 6 D 7.68 4.38 0.00 2.81 2.71 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 0.00 0.00 0.00 7 T 8.34 4.18 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 1.21 0.00 0.00 8 T 7.86 4.20 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 1.09 0.00 0.00 9 P 0.00 4.28 0.00 1.81 1.81 0.00 3.58 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 2.02 1.87 0.00 10 C 8.47 5.14 0.00 2.90 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 11 C 8.72 5.09 0.00 2.93 2.93 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 0.00 0.00 0.00 12 F 8.19 4.29 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.16 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 14 Y 7.30 4.69 0.00 3.11 2.94 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 15 I 8.15 3.81 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 1.42 0.00 0.00 16 A 8.39 4.52 1.34 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 17 R 7.38 4.42 0.00 1.78 1.73 0.00 3.31 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 18 P 0.00 2.00 0.00 1.52 0.49 0.00 3.69 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.36 0.00 19 L 7.54 3.76 0.00 1.43 1.54 1.23 1.19 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 20 P 0.00 3.68 0.00 1.65 1.64 0.00 3.42 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 21 R 7.58 3.54 0.00 1.22 1.66 0.00 3.26 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 22 A 7.47 3.98 1.25 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 23 H 8.10 4.41 0.00 3.14 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 6.41 4.52 1.77 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 1.21 0.00 0.00 25 K 8.11 4.62 0.00 2.05 1.82 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 26 E 7.93 5.13 0.00 1.99 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 2.51 2.23 0.00 27 Y 7.96 5.26 0.00 2.68 3.04 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 28 F 9.02 4.63 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.57 5.08 0.00 2.92 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 30 T 7.66 3.92 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 1.13 0.00 0.00 31 S 8.16 3.87 0.00 3.84 3.89 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 32 G 7.90 4.08 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 0.00 33 K 7.38 4.77 0.00 1.85 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 1.20 7.81 34 C 8.16 4.71 0.00 3.04 3.11 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 35 S 8.19 3.67 0.00 3.99 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 36 N 7.58 4.64 0.00 2.70 2.75 0.00 0.00 6.99 7.41 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 37 P 0.00 4.54 0.00 2.21 2.07 0.00 3.45 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 38 A 6.62 4.29 1.35 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 0.00 0.00 0.00 39 V 7.48 4.53 1.68 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 0.88 0.00 0.00 0.52 0.00 0.00 40 V 8.53 4.43 2.37 0.00 0.00 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 1.16 0.00 0.00 41 F 8.92 5.55 0.00 3.32 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 42 V 8.73 4.60 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 0.82 0.00 0.00 1.13 0.00 0.00 43 T 8.10 4.52 4.53 0.00 0.00 0.00 0.00 0.00 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 44 R 7.85 3.90 0.00 1.98 2.12 0.00 3.05 0.00 0.00 3.45 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 45 K 7.96 3.90 0.00 1.87 1.93 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.45 7.81 46 N 8.26 4.50 0.00 3.00 2.97 0.00 0.00 7.24 7.14 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 47 R 7.22 4.02 0.00 1.87 1.90 0.00 3.25 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 48 Q 8.78 4.25 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 49 V 8.41 4.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.17 0.00 0.00 50 C 8.97 5.17 0.00 3.13 3.22 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 0.00 0.00 0.00 0.00 51 A 8.50 4.84 1.81 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 0.00 0.00 52 N 8.60 3.67 0.00 2.50 2.51 0.00 0.00 5.19 6.87 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 53 P 0.00 4.19 0.00 2.12 2.17 0.00 3.19 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 54 E 7.24 4.40 0.00 1.79 1.77 0.00 0.00 0.00 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 2.11 0.00 55 K 7.50 4.12 0.00 1.27 0.79 0.00 2.29 0.00 0.00 2.33 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.41 1.47 7.81 56 K 7.46 3.71 0.00 1.90 1.67 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.31 7.81 57 W 8.42 4.19 0.00 3.10 3.27 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 58 V 5.80 2.87 1.54 0.00 0.00 0.00 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 0.28 0.00 0.00 59 R 7.45 3.80 0.00 1.72 1.85 0.00 2.99 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 60 E 7.93 4.07 0.00 1.93 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 2.41 2.35 0.00 61 Y 7.65 4.80 0.00 3.32 2.87 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 62 I 7.57 3.06 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.54 0.00 0.00 63 N 7.82 4.54 0.00 2.75 2.91 0.00 0.00 7.16 7.55 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 64 S 7.66 4.28 0.00 4.25 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 65 L 7.43 4.46 0.00 2.33 1.92 1.45 1.12 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 66 E 8.54 4.51 0.00 2.00 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 2.28 2.32 0.00 67 M 8.70 4.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 68 S 8.47 4.38 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00