NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.3806 8.0249 121.4037 61.1541 38.7358 174.4454 5 K 4.3617 9.0107 125.3236 53.8472 35.8637 172.9823 6 H 4.5504 8.9449 123.2712 54.4542 32.8211 172.1623 7 Y 5.3299 8.0208 121.6738 56.5712 42.7738 174.1653 8 Q 5.3739 7.8872 120.2163 55.5738 33.2585 173.2144 9 F 5.2298 8.8211 123.3585 55.8287 44.0088 172.9808 10 N 5.2334 9.0143 121.9019 52.3305 40.1776 173.8038 11 V 4.8079 8.2754 126.0500 61.0138 34.4713 175.2461 12 V 3.9317 8.9126 129.0750 62.8277 31.3907 174.9108 13 M 4.7795 8.5554 127.4971 53.8282 34.4829 175.8710 14 T 4.4255 8.6867 119.4763 63.8602 71.3227 173.7475 15 C 4.9972 7.5614 114.9452 55.6325 34.1839 174.3192 16 S 4.7728 7.9343 115.2612 59.6498 62.7814 176.3910 17 G 3.5336 7.9494 110.0492 47.9346 0.0000 175.2335 18 C 4.0992 8.0748 119.0622 62.8062 28.2804 176.3874 19 S 4.2620 8.0596 115.3128 61.2959 62.5734 176.4800 20 G 3.6593 8.2606 109.2827 47.5357 0.0000 175.4603 21 A 3.9549 8.0745 123.0506 54.9531 17.9191 179.8744 22 V 3.4707 7.5525 116.3975 66.0972 31.5456 177.5691 23 N 4.2973 8.5545 117.2360 56.5847 38.7299 176.7502 24 K 3.9219 8.0257 120.8643 59.7214 32.1448 179.3250 25 V 3.6428 7.3013 111.3442 64.3236 31.7064 178.2524 26 L 4.2140 7.6947 118.0691 57.5630 41.1165 179.4400 27 T 3.9803 8.1742 109.9702 64.5072 68.4585 176.5539 28 K 4.1443 7.8260 119.7922 58.1997 32.2057 177.3617 29 L 4.6128 7.6292 118.0356 54.3581 42.5647 176.4905 30 E 4.7131 7.4653 116.9357 55.3021 29.7926 175.5711 31 P 4.4978 0.0000 0.0000 64.2599 32.1114 177.7864 32 D 4.4267 8.1975 119.2396 57.2720 41.0415 176.5362 33 V 4.2636 7.7493 120.6926 62.9306 31.5877 176.2078 34 S 4.5972 8.9047 122.6162 59.2637 64.4543 174.5377 35 K 4.4938 7.9395 122.0899 55.4027 35.2256 174.2677 36 I 4.8056 8.3722 127.9580 60.0927 40.0059 175.9039 37 D 4.7360 8.6442 124.2851 53.7428 43.0147 172.8111 38 I 4.8195 8.0053 122.9515 59.4317 39.5399 174.9021 39 S 4.4948 9.2587 121.0401 56.4402 64.0374 174.2090 40 L 3.9657 8.8070 130.0571 58.3174 42.1760 179.0400 41 E 3.9989 8.2448 116.1970 59.1412 29.4597 178.1449 42 K 4.1957 8.4285 116.2339 56.1909 33.1527 176.4251 43 Q 3.6207 7.7025 117.3773 57.3699 26.6958 172.7739 44 L 5.6541 7.8666 115.7713 52.0660 46.4466 177.2191 45 V 4.6748 8.3682 120.4808 61.6891 34.6301 173.4615 46 D 5.5349 9.0846 129.0251 52.8384 42.9628 175.7018 47 V 4.6933 8.7796 123.9656 61.3792 34.2728 173.6785 48 Y 4.9390 9.0906 126.2505 56.9965 39.6190 174.7428 49 T 5.5512 8.9505 117.9814 61.9876 71.5541 173.4032 50 T 4.5883 8.5195 114.1262 61.5058 69.5986 174.2257 51 L 4.6008 7.7046 121.4146 53.1293 43.2980 175.4442 52 P 4.5666 0.0000 0.0000 62.4361 33.3450 176.9488 53 Y 3.3064 8.8251 122.4256 61.0261 38.4020 178.7775 54 D 4.1949 8.0991 118.8271 57.4985 41.1367 177.7071 55 F 4.0296 8.3756 120.3687 62.0490 38.9151 177.1067 56 I 3.5402 7.8623 118.9770 63.9099 36.8163 178.4795 57 L 3.4377 7.3346 121.3868 57.9470 41.9851 178.4496 58 E 3.7555 8.1167 119.5505 59.0360 29.2498 178.6969 59 K 3.6365 7.3633 117.4491 59.7729 31.9508 179.1348 60 I 3.7090 7.0799 119.2575 63.9948 36.9018 178.7269 61 K 3.9632 7.9259 119.7540 59.0922 31.6617 178.8415 62 K 4.2131 7.7741 116.4645 57.7064 32.0558 178.2491 63 T 4.2314 7.3955 109.0849 61.5664 69.1945 175.5094 64 G 3.8547 7.8614 109.7807 45.9028 0.0000 173.3942 65 K 4.2712 7.6011 118.3474 54.3926 33.4138 175.7591 66 E 3.8437 8.7226 123.9911 56.9907 30.6400 176.0095 67 V 4.3643 8.3202 128.3278 62.0757 31.3277 175.6260 68 R 4.2820 8.8064 128.6618 59.1445 30.5648 176.8770 69 S 4.6023 7.7190 110.7140 58.2625 66.2917 172.9176 70 G 4.6439 7.9105 105.0946 46.5275 0.0000 172.5967 71 K 4.1763 7.4744 118.2724 55.7324 35.2318 173.1857 72 Q 5.0868 8.6151 125.9017 54.3504 31.6910 175.3348 73 L 4.2871 8.1642 122.6188 54.9405 42.4432 176.6024 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 4 I 8.02 4.38 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 1.04 0.00 0.00 5 K 9.01 4.36 0.00 1.34 1.18 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81 6 H 8.94 4.55 0.00 2.53 2.80 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.02 5.33 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 5.37 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 9 F 8.82 5.23 0.00 2.97 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 10 N 9.01 5.23 0.00 2.91 2.75 0.00 0.00 6.46 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.28 4.81 2.11 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 0.82 0.00 0.00 1.04 0.00 0.00 12 V 8.91 3.93 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 0.80 0.00 0.00 0.94 0.00 0.00 13 M 8.56 4.78 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 14 T 8.69 4.43 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 15 C 7.56 5.00 0.00 3.09 3.02 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 16 S 7.93 4.77 0.00 4.07 4.15 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 17 G 7.95 3.53 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 0.00 0.00 0.00 18 C 8.07 4.10 0.00 3.11 2.99 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 19 S 8.06 4.26 0.00 4.09 4.13 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 20 G 8.26 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 0.00 0.00 0.00 21 A 8.07 3.95 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 22 V 7.55 3.47 2.18 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 0.95 0.00 0.00 0.88 0.00 0.00 23 N 8.55 4.30 0.00 2.91 2.99 0.00 0.00 6.87 6.42 0.00 0.00 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 K 8.03 3.92 0.00 2.09 1.91 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 V 7.30 3.64 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 26 L 7.69 4.21 0.00 1.74 1.74 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.17 3.98 4.25 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 1.30 0.00 0.00 28 K 7.83 4.14 0.00 1.98 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.69 7.81 29 L 7.63 4.61 0.00 1.99 1.79 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.47 4.71 0.00 2.02 1.91 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 2.57 2.28 0.00 31 P 0.00 4.50 0.00 2.05 2.11 0.00 3.70 0.00 0.00 3.67 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 32 D 8.20 4.43 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.26 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 1.16 0.00 0.00 1.06 0.00 0.00 34 S 8.90 4.60 0.00 3.90 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 35 K 7.94 4.49 0.00 1.62 1.36 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.31 7.81 36 I 8.37 4.81 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.97 0.00 0.00 37 D 8.64 4.74 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 4.82 1.90 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 1.27 0.76 0.94 0.00 0.00 39 S 9.26 4.49 0.00 3.84 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 40 L 8.81 3.97 0.00 1.73 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.24 4.00 0.00 1.99 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 0.00 2.32 2.40 0.00 42 K 8.43 4.20 0.00 1.73 1.88 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 43 Q 7.70 3.62 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 44 L 7.87 5.65 0.00 1.63 1.59 0.96 0.78 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 V 8.37 4.67 2.27 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 1.07 0.00 0.00 0.98 0.00 0.00 46 D 9.08 5.53 0.00 3.06 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.78 4.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.11 0.00 0.00 48 Y 9.09 4.94 0.00 3.00 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 49 T 8.95 5.55 4.41 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 0.00 0.00 0.00 1.61 0.00 0.00 50 T 8.52 4.59 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 1.23 0.00 0.00 51 L 7.70 4.60 0.00 1.85 1.74 1.15 0.99 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 52 P 0.00 4.57 0.00 2.28 2.04 0.00 3.54 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 2.10 2.17 0.00 53 Y 8.83 3.31 0.00 2.67 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 54 D 8.10 4.19 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.03 0.00 3.09 3.24 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 0.00 0.00 0.00 0.00 56 I 7.86 3.54 1.80 0.00 0.00 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 1.68 1.17 0.87 0.00 0.00 57 L 7.33 3.44 0.00 1.31 1.54 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.12 3.76 0.00 2.10 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 0.00 2.24 2.30 0.00 59 K 7.36 3.64 0.00 1.59 1.61 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.52 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.80 0.93 7.81 60 I 7.08 3.71 1.40 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.67 0.00 0.00 61 K 7.93 3.96 0.00 1.89 1.77 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 62 K 7.77 4.21 0.00 1.81 1.78 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 63 T 7.40 4.23 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 1.15 0.00 0.00 64 G 7.86 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 0.00 0.00 0.00 65 K 7.60 4.27 0.00 1.72 1.93 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 66 E 8.72 3.84 0.00 2.04 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 2.39 2.33 0.00 67 V 8.32 4.36 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 1.03 0.00 0.00 0.85 0.00 0.00 68 R 8.81 4.28 0.00 1.91 2.02 0.00 3.46 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 69 S 7.72 4.60 0.00 3.87 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 70 G 7.91 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.47 4.18 0.00 1.67 1.55 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 1.19 7.81 72 Q 8.62 5.09 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 73 L 8.16 4.29 0.00 1.34 1.41 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00