NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0012 8.0544 120.3986 62.1716 33.3851 175.0492 6 S 4.5749 7.9569 113.2419 58.9809 64.2309 171.3539 7 Y 4.5949 8.0900 119.9346 58.3277 38.3774 178.5120 8 T 4.6576 8.9704 115.8521 59.6501 71.0490 172.4036 9 P 4.4986 0.0000 0.0000 63.0015 32.0389 175.0505 10 N 5.0446 8.4500 116.5026 51.5714 41.4017 174.1069 11 S 4.5933 8.6119 118.1617 57.7774 63.5962 173.4064 12 C 5.1424 8.4577 123.3539 55.2763 44.5097 174.3742 13 C 4.3297 8.4197 118.6135 56.3503 40.6756 174.7012 14 Y 4.3734 7.6572 125.6995 54.0305 36.4577 174.6649 15 G 3.9967 6.8930 107.5790 43.8668 0.0000 171.3432 16 F 5.1211 8.1020 117.7342 55.0470 42.4702 174.9617 17 Q 4.1764 8.9554 125.9782 56.5975 28.7333 176.0272 18 Q 4.6693 8.8014 123.9758 56.5979 29.5687 175.1740 19 H 4.5383 7.8440 115.8346 52.8435 30.2532 172.9111 20 P 3.5520 0.0000 0.0000 61.7519 31.5834 174.5727 21 P 4.4817 0.0000 0.0000 61.4284 32.3792 174.3148 22 P 4.2761 0.0000 0.0000 62.4929 31.8324 177.8352 23 V 3.6200 8.6205 123.4565 65.9141 31.7372 177.3822 24 Q 3.9841 8.2694 119.9172 58.9146 28.8979 177.3526 25 I 4.1421 7.6466 108.9642 61.1906 38.4181 175.3210 26 L 4.5341 7.7562 122.5824 54.5974 42.3178 175.7904 27 K 4.5046 8.8159 125.2012 57.5708 33.6681 175.3860 28 E 5.0970 7.6789 115.2120 55.8789 32.7276 173.4656 29 W 5.7431 8.7921 116.0764 55.6674 32.2603 173.3941 30 Y 4.6986 8.1025 117.1639 54.9418 40.8703 172.5578 31 P 5.1966 0.0000 0.0000 62.9203 32.6367 175.7648 32 T 4.4068 8.5089 112.1413 60.8808 70.2466 174.1328 33 S 4.2633 8.2483 115.5753 57.8205 62.7491 173.3828 34 P 4.3473 0.0000 0.0000 65.1721 31.3191 177.1583 35 A 4.2117 8.2332 121.2130 53.4723 18.2460 177.1033 36 C 4.5641 8.0638 115.0836 56.0272 40.8124 173.3955 37 P 4.2389 0.0000 0.0000 64.5044 31.2919 176.9779 38 K 4.6998 7.2502 113.3579 53.6542 34.9897 174.2946 39 P 4.5262 0.0000 0.0000 62.6137 32.1793 175.6459 40 G 4.4600 8.5575 108.1295 45.1929 0.0000 171.5430 41 V 5.0303 8.5565 112.7821 59.4398 35.4281 175.1300 42 I 4.6843 8.7270 124.8413 59.8120 38.9377 174.8136 43 L 4.5483 8.9224 128.8241 53.8066 43.0088 175.4968 44 L 5.0932 8.9429 127.7554 53.6391 43.8956 176.2821 45 T 4.7696 8.6975 117.0014 60.7555 70.2718 176.0618 46 K 3.9336 9.0259 122.0817 59.5237 32.0525 178.6660 47 R 4.1643 7.9423 114.9720 56.4556 30.2105 177.1080 48 G 3.9742 8.2641 107.3233 44.8605 0.0000 174.0175 49 R 3.9514 7.8916 120.8646 56.2279 30.5875 175.0899 50 Q 4.7095 8.6003 124.2132 54.8194 29.9570 175.1211 51 I 4.3721 8.6002 127.0986 59.5353 39.1423 174.9767 52 C 5.0345 8.9151 125.5964 57.2376 42.3800 172.8894 53 A 5.1005 9.4375 125.1722 50.1168 23.1911 174.1435 54 D 3.7718 7.6199 118.8980 51.3070 42.1298 175.3631 55 P 4.0511 0.0000 0.0000 64.4214 31.7466 177.6432 56 S 4.0821 7.5394 115.4934 61.5485 63.0133 176.0265 57 K 3.9198 7.6042 120.5209 55.9066 32.9979 177.7212 58 N 4.2162 8.7006 122.3446 56.4147 38.9515 177.0172 59 W 4.2211 7.8938 117.8506 59.2274 28.3310 178.5764 60 V 3.0292 6.3799 118.5985 65.6629 31.0119 178.1202 61 R 3.6002 7.8421 118.1598 58.9651 29.6020 178.5135 62 Q 4.0331 7.7888 118.0499 57.8938 29.0234 177.2273 63 L 4.1521 7.6646 121.7108 58.0407 42.2363 178.2232 64 M 3.3776 8.2053 118.9517 58.3742 31.5872 178.2610 65 Q 3.9950 7.5427 118.5257 59.0916 29.1855 178.0196 66 R 4.5033 7.4658 113.0321 55.7602 30.5262 175.8228 67 L 4.9729 8.0225 118.5017 51.6686 44.8561 174.4914 68 P 4.4993 0.0000 0.0000 63.0365 32.6403 175.1396 69 A 3.8119 8.4815 125.0573 50.8440 19.2243 176.7052 70 I 4.4694 8.2914 122.9657 59.5609 40.6372 175.9528 71 A 3.6781 8.9709 130.2737 52.9541 18.6058 175.8650 72 H 3.2703 7.6077 121.9802 55.3240 29.4181 174.1357 73 H 4.2607 8.7765 123.6376 56.2205 28.4716 175.5278 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 5 V 8.05 4.00 2.17 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 1.03 0.00 0.00 0.96 0.00 0.00 6 S 7.96 4.57 0.00 4.01 3.86 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 0.00 0.00 0.00 0.00 7 Y 8.09 4.59 0.00 2.90 2.06 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 8 T 8.97 4.66 4.30 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 1.35 0.00 0.00 9 P 0.00 4.50 0.00 2.23 2.13 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 N 8.45 5.04 0.00 2.65 2.78 0.00 0.00 6.87 7.57 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 11 S 8.61 4.59 0.00 3.95 3.81 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 12 C 8.46 5.14 0.00 2.31 2.53 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 0.00 13 C 8.42 4.33 0.00 2.87 2.81 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 14 Y 7.66 4.37 0.00 2.96 2.81 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 15 G 6.89 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 0.00 0.00 0.00 16 F 8.10 5.12 0.00 3.04 2.83 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 0.00 0.00 0.00 0.00 17 Q 8.96 4.18 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 18 Q 8.80 4.67 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.50 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 19 H 7.84 4.54 0.00 3.06 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.55 0.00 1.62 1.40 0.00 3.16 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 21 P 0.00 4.48 0.00 2.21 2.10 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 22 P 0.00 4.28 0.00 2.20 2.02 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 23 V 8.62 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 24 Q 8.27 3.98 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 25 I 7.65 4.14 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.92 0.00 0.00 26 L 7.76 4.53 0.00 1.83 1.70 0.98 0.83 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 27 K 8.82 4.50 0.00 1.76 1.95 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 28 E 7.68 5.10 0.00 2.25 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 2.29 2.37 0.00 29 W 8.79 5.74 0.00 3.45 3.08 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 30 Y 8.10 4.70 0.00 2.97 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 31 P 0.00 5.20 0.00 2.22 2.33 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 32 T 8.51 4.41 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 33 S 8.25 4.26 0.00 4.01 3.81 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 34 P 0.00 4.35 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 35 A 8.23 4.21 1.30 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 0.00 0.00 36 C 8.06 4.56 0.00 3.11 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 37 P 0.00 4.24 0.00 2.09 2.16 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 38 K 7.25 4.70 0.00 1.80 1.77 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 39 P 0.00 4.53 0.00 2.04 1.99 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 40 G 8.56 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 5.03 2.15 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 0.59 0.00 0.00 0.68 0.00 0.00 42 I 8.73 4.68 0.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.09 0.63 0.00 0.00 43 L 8.92 4.55 0.00 1.60 1.64 1.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.94 5.09 0.00 1.78 1.70 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.70 4.77 4.37 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 0.00 0.00 0.00 1.24 0.00 0.00 46 K 9.03 3.93 0.00 1.74 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.49 1.44 7.81 47 R 7.94 4.16 0.00 1.81 1.98 0.00 3.20 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 48 G 8.26 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 0.00 0.00 0.00 49 R 7.89 3.95 0.00 1.92 1.83 0.00 3.11 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 50 Q 8.60 4.71 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 51 I 8.60 4.37 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 1.05 0.00 0.00 52 C 8.92 5.03 0.00 2.95 3.28 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 0.00 53 A 9.44 5.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.62 3.77 0.00 1.58 1.97 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 55 P 0.00 4.05 0.00 2.01 1.89 0.00 3.37 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 56 S 7.54 4.08 0.00 3.70 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 57 K 7.60 3.92 0.00 0.99 1.03 0.00 1.80 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.26 7.81 58 N 8.70 4.22 0.00 2.72 2.83 0.00 0.00 6.97 7.95 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 59 W 7.89 4.22 0.00 3.57 3.28 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 0.00 60 V 6.38 3.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 -1.22 0.00 0.00 61 R 7.84 3.60 0.00 1.68 1.79 0.00 3.03 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 62 Q 7.79 4.03 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 63 L 7.66 4.15 0.00 2.19 1.70 0.99 1.08 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 64 M 8.21 3.38 0.00 0.77 1.63 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.81 0.00 65 Q 7.54 3.99 0.00 2.14 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 66 R 7.47 4.50 0.00 1.86 1.96 0.00 3.16 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 67 L 8.02 4.97 0.00 1.89 1.80 1.01 1.15 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 68 P 0.00 4.50 0.00 2.12 2.21 0.00 3.85 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 2.21 2.02 0.00 69 A 8.48 3.81 0.73 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 0.00 0.00 70 I 8.29 4.47 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 0.91 0.00 0.00 71 A 8.97 3.68 1.12 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 0.00 0.00 72 H 7.61 3.27 0.00 2.52 2.94 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.78 4.26 0.00 3.10 3.21 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00