NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9399 8.0544 120.3960 62.7582 32.5606 175.1095 7 D 4.4435 8.6515 127.0265 53.4510 40.2179 174.3096 8 C 4.9090 8.3315 123.6128 56.7245 41.3928 175.2579 9 S 4.3072 8.0397 112.8801 59.6130 62.4361 174.3159 10 E 4.5668 8.2092 118.6793 56.4327 30.5692 175.1375 11 Y 4.3793 8.0712 118.0034 55.4456 39.7836 173.2404 12 P 4.9388 0.0000 0.0000 62.6431 32.2937 175.8157 13 K 4.5260 8.4700 120.2298 53.9465 34.3428 174.9884 14 P 4.3642 0.0000 0.0000 64.4411 31.8791 176.4470 15 A 4.8163 7.7753 120.2030 50.1308 21.3507 175.7502 16 C 5.1617 8.4424 118.5602 54.8665 44.0754 174.3407 17 T 4.3044 8.4075 112.1617 61.9729 69.0827 173.9508 18 L 4.8056 8.1177 120.8036 54.3641 42.4510 177.0129 19 E 4.1291 8.2049 115.7595 56.3338 30.3630 175.5900 20 Y 4.6555 8.4370 121.9570 56.4086 38.9809 175.2773 21 R 4.4405 8.5900 129.1298 53.3433 31.6678 171.8778 22 P 4.5890 0.0000 0.0000 62.2872 33.1179 175.3902 23 L 4.9168 8.7620 121.1383 53.1203 46.1512 174.5219 24 C 5.0033 8.8359 123.9856 54.8971 45.4861 173.6469 25 G 4.5721 9.1908 114.7165 45.6683 0.0000 174.3004 26 S 4.4236 9.1123 115.1986 60.2028 63.1408 174.9107 27 D 4.5104 8.1065 119.1995 53.3032 39.5994 175.9973 28 N 4.3706 8.3603 117.2050 54.2581 38.0306 173.1462 29 K 4.6117 8.1368 115.4158 54.3284 35.1611 175.4183 30 T 4.5905 8.2366 120.8682 63.1948 69.4279 173.7022 31 Y 4.2982 9.1590 125.0100 56.2984 39.4601 177.0659 32 A 3.9321 8.9244 126.8149 55.2551 19.0273 176.4572 33 N 5.2545 7.5899 112.9129 51.8994 40.9477 175.1454 34 K 3.9405 8.4611 120.3691 59.9469 32.1702 178.9656 35 C 4.7324 8.1894 119.5682 59.1992 38.5988 175.1350 36 N 4.3635 8.9125 118.4806 56.1471 38.1727 177.0005 37 F 3.4531 8.3453 122.0259 61.5106 39.4795 176.6075 38 C 3.8078 8.2510 116.3159 59.8063 38.8515 175.8843 39 N 4.2413 8.0234 117.8553 56.2388 38.0928 177.3581 40 A 3.8883 7.6372 122.0193 54.7603 18.2744 179.7901 41 V 3.1444 7.4487 117.3015 66.0485 31.3671 178.4335 42 V 3.4906 7.5667 117.9335 65.9721 31.0978 177.6456 43 E 3.9843 7.8456 118.5461 58.7409 29.4275 177.9610 44 S 4.3427 8.0084 112.3260 57.7052 63.2517 173.8254 45 N 3.7970 8.5283 118.7273 54.7969 36.2346 175.0949 46 G 3.8844 8.3518 103.6554 46.3431 0.0000 175.7129 47 T 3.9834 7.5021 111.3230 63.7351 69.1596 175.5262 48 L 3.9453 7.8045 124.5178 55.2440 42.4829 175.6992 49 T 4.8691 8.6157 114.9782 59.6240 72.9779 172.2771 50 L 4.2721 8.3927 124.0215 54.5894 42.1083 176.0463 51 S 4.3911 9.0546 122.9581 61.0186 62.8178 173.3087 52 H 4.5801 7.3394 112.4122 54.6397 31.6588 172.1967 53 F 4.4057 8.6451 117.7654 58.1603 39.5815 176.3937 54 G 3.9105 8.5370 110.6052 44.1969 0.0000 173.1787 55 K 4.1844 8.0931 117.3188 56.1261 32.6760 178.2213 56 C 4.5166 8.7542 118.7480 57.4727 41.0160 173.7864 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 6 V 8.05 3.94 2.24 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 1.01 0.00 0.00 0.71 0.00 0.00 7 D 8.65 4.44 0.00 2.78 2.66 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 8 C 8.33 4.91 0.00 2.97 2.95 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 9 S 8.04 4.31 0.00 4.00 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 10 E 8.21 4.57 0.00 1.92 1.87 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 2.19 2.31 0.00 11 Y 8.07 4.38 0.00 3.26 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 12 P 0.00 4.94 0.00 2.22 2.10 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 8.47 4.53 0.00 1.55 1.55 0.00 0.84 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.21 7.81 14 P 0.00 4.36 0.00 2.15 2.17 0.00 3.38 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 1.96 2.05 0.00 15 A 7.78 4.82 1.22 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 0.00 0.00 16 C 8.44 5.16 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.30 4.28 0.00 0.00 0.00 0.00 0.00 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 18 L 8.12 4.81 0.00 1.67 1.74 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.20 4.13 0.00 2.12 1.99 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 2.31 2.26 0.00 20 Y 8.44 4.66 0.00 2.92 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 21 R 8.59 4.44 0.00 1.74 1.67 0.00 3.33 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 22 P 0.00 4.59 0.00 2.11 1.80 0.00 3.44 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 23 L 8.76 4.92 0.00 1.48 1.10 0.70 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.84 5.00 0.00 2.84 2.54 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 0.00 0.00 0.00 0.00 25 G 9.19 4.57 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 0.00 0.00 0.00 26 S 9.11 4.42 0.00 3.99 4.11 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 27 D 8.11 4.51 0.00 2.86 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 28 N 8.36 4.37 0.00 2.92 2.99 0.00 0.00 6.96 5.98 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 29 K 8.14 4.61 0.00 1.88 1.28 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.36 7.81 30 T 8.24 4.59 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 1.25 0.00 0.00 31 Y 9.16 4.30 0.00 3.13 3.06 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 32 A 8.92 3.93 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 33 N 7.59 5.25 0.00 3.13 3.06 0.00 0.00 6.36 7.20 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 34 K 8.46 3.94 0.00 1.89 1.92 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.54 7.81 35 C 8.19 4.73 0.00 3.20 3.19 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 0.00 36 N 8.91 4.36 0.00 3.13 3.06 0.00 0.00 6.63 8.99 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 37 F 8.35 3.45 0.00 3.16 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 38 C 8.25 3.81 0.00 1.53 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 0.00 0.00 0.00 0.00 39 N 8.02 4.24 0.00 2.75 2.89 0.00 0.00 6.91 6.86 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 40 A 7.64 3.89 0.97 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 0.00 0.00 41 V 7.45 3.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.03 0.00 0.00 42 V 7.57 3.49 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 0.93 0.00 0.00 1.03 0.00 0.00 43 E 7.85 3.98 0.00 2.11 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 0.00 2.30 2.29 0.00 44 S 8.01 4.34 0.00 4.04 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 45 N 8.53 3.80 0.00 2.81 2.92 0.00 0.00 6.91 7.88 0.00 0.00 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 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 3.98 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 1.23 0.00 0.00 48 L 7.80 3.95 0.00 1.45 1.33 1.02 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.62 4.87 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 1.21 0.00 0.00 50 L 8.39 4.27 0.00 1.14 1.32 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.05 4.39 0.00 3.88 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 52 H 7.34 4.58 0.00 3.23 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.65 4.41 0.00 3.07 2.95 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 54 G 8.54 3.91 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 0.00 0.00 0.00 55 K 8.09 4.18 0.00 1.81 1.79 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.53 7.81 56 C 8.75 4.52 0.00 2.94 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