NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8088 8.0549 120.2884 62.1493 32.9883 176.3360 2 V 2.0000 7.8596 110.7841 62.3231 31.0422 175.1837 3 S 3.6121 7.0434 112.4458 60.5408 65.5075 174.5441 4 H 5.0824 7.7034 117.9923 54.4916 29.0073 175.2797 5 F 4.9997 8.7680 114.2045 54.5608 40.9913 176.5434 6 N 4.0566 8.7477 119.1461 53.6805 37.2374 174.6637 7 D 4.6204 8.5894 118.2499 51.4854 41.8126 173.4768 8 C 4.3076 8.8301 119.9458 55.0644 42.1154 172.0342 9 P 4.2677 0.0000 0.0000 62.1063 30.7640 177.5922 10 D 4.8692 8.3685 131.9431 52.8631 37.5242 175.8740 11 S 4.5194 7.4962 115.9965 59.8025 65.6263 174.7668 12 H 4.6650 7.6723 120.4171 57.1891 31.2254 175.6633 13 T 3.7360 7.5046 109.3823 63.1208 68.1610 175.4199 14 Q 3.5776 7.5932 122.6663 56.9946 29.5770 177.9534 15 F 4.0272 7.4948 122.8976 59.9637 39.4324 174.3541 16 C 5.0756 7.8590 115.0464 54.9719 42.9178 174.0024 17 F 4.0603 8.7086 124.4635 58.7763 38.3942 176.4051 18 H 4.3251 8.3558 116.1956 53.8720 27.2216 175.0431 19 G 4.0824 7.2269 104.5358 45.0223 0.0000 173.0633 20 T 4.4984 8.8779 119.2208 60.9350 67.9781 171.0860 21 C 4.8948 8.3554 124.7566 56.0273 45.3145 173.0868 22 R 4.4459 8.8646 121.4639 54.8092 31.2387 175.5154 23 F 5.1814 8.5485 128.9526 57.0457 38.9892 173.4525 24 L 4.5081 8.8618 124.1751 54.4910 39.9069 177.7232 25 V 2.9188 8.7679 124.9006 65.3254 31.8201 178.4217 26 Q 3.9994 7.9968 116.0754 58.1426 28.3890 176.4568 27 E 4.4465 7.8260 115.8118 55.1010 30.8467 175.1533 28 D 4.2614 7.9643 117.4439 53.7508 39.1582 172.9284 29 K 4.4829 8.0303 120.7681 54.7486 34.4473 173.2842 30 P 5.0776 0.0000 0.0000 62.5111 32.1624 175.7761 31 A 4.9582 9.0929 125.4577 50.3637 22.5113 174.0024 32 C 5.1856 8.9869 118.2648 55.1076 44.5218 174.3247 33 V 4.0953 8.4990 123.4573 61.5744 31.6354 174.3382 34 C 4.8214 8.7124 125.7503 57.2174 39.7107 173.8355 35 H 4.4412 9.0482 121.0649 55.8730 29.8927 174.9756 36 S 4.3286 8.7546 115.5562 62.7673 61.9298 173.8691 37 G 4.1050 8.9943 114.0563 45.5423 0.0000 170.9010 38 Y 5.1475 8.3523 116.9587 56.1345 40.4613 175.0949 39 V 4.5288 9.1992 115.2799 59.3066 35.8378 174.8678 40 G 4.4038 8.9576 107.6575 44.3799 0.0000 174.9057 41 A 3.8804 8.7190 124.6186 54.8343 18.5581 178.7919 42 R 4.7348 7.5800 111.8814 55.3637 30.9804 177.6047 43 C 4.5153 7.6047 115.2079 58.2391 37.6132 173.4659 44 E 4.3716 7.6686 116.3298 56.0609 32.0293 177.3802 45 H 4.8400 8.2400 118.5346 53.9428 29.8401 174.2917 46 A 3.9467 8.4278 126.2406 51.2147 18.9409 177.3626 47 D 4.3139 9.3190 125.4138 58.2171 40.4862 182.5390 48 L 3.0216 7.0913 114.2608 56.4421 43.7595 175.3599 49 L 4.1569 8.1085 123.2354 56.4929 42.3606 177.1806 50 A 4.1626 7.7982 126.0821 51.4933 17.8449 177.6361 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 V 8.05 3.81 1.94 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 0.81 0.00 0.00 0.78 0.00 0.00 2 V 7.86 2.00 1.72 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 0.25 0.00 0.00 0.73 0.00 0.00 3 S 7.04 3.61 0.00 3.59 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 4 H 7.70 5.08 0.00 3.14 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.77 5.00 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 4.06 0.00 3.01 2.85 0.00 0.00 5.85 8.20 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 7 D 8.59 4.62 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 8 C 8.83 4.31 0.00 2.89 3.21 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 0.00 9 P 0.00 4.27 0.00 2.03 2.14 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 10 D 8.37 4.87 0.00 2.61 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 11 S 7.50 4.52 0.00 3.95 3.90 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 12 H 7.67 4.67 0.00 3.16 3.13 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.50 3.74 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 0.66 0.00 0.00 14 Q 7.59 3.58 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.12 0.00 0.00 0.00 0.00 0.00 2.15 1.82 0.00 15 F 7.49 4.03 0.00 3.12 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 16 C 7.86 5.08 0.00 2.85 2.76 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 0.00 0.00 0.00 17 F 8.71 4.06 0.00 2.74 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 18 H 8.36 4.33 0.00 1.97 1.95 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.23 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 20 T 8.88 4.50 4.22 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 1.20 0.00 0.00 21 C 8.36 4.89 0.00 3.05 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.86 4.45 0.00 1.47 1.17 0.00 2.98 0.00 0.00 2.90 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 23 F 8.55 5.18 0.00 2.97 3.12 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 0.00 0.00 0.00 24 L 8.86 4.51 0.00 1.85 1.80 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.77 2.92 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 0.89 0.00 0.00 0.60 0.00 0.00 26 Q 8.00 4.00 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 27 E 7.83 4.45 0.00 2.05 1.95 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 2.18 2.22 0.00 28 D 7.96 4.26 0.00 2.93 2.76 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 0.00 0.00 0.00 29 K 8.03 4.48 0.00 1.92 1.62 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.17 7.81 30 P 0.00 5.08 0.00 1.92 2.00 0.00 3.39 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 31 A 9.09 4.96 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 32 C 8.99 5.19 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 33 V 8.50 4.10 2.21 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 0.96 0.00 0.00 0.92 0.00 0.00 34 C 8.71 4.82 0.00 2.95 3.16 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 35 H 9.05 4.44 0.00 2.86 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.75 4.33 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 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 38 Y 8.35 5.15 0.00 2.89 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 39 V 9.20 4.53 2.13 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 0.82 0.00 0.00 1.01 0.00 0.00 40 G 8.96 4.40 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 0.00 0.00 0.00 41 A 8.72 3.88 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 42 R 7.58 4.73 0.00 2.08 2.13 0.00 3.49 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 43 C 7.60 4.52 0.00 2.94 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 44 E 7.67 4.37 0.00 1.72 1.94 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 1.98 1.91 0.00 45 H 8.24 4.84 0.00 3.24 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.43 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.32 4.31 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.09 3.02 0.00 1.72 1.86 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.11 4.16 0.00 1.56 1.64 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.80 4.16 1.18 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 0.00 0.00 0.00