NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.4600 8.3449 119.6169 55.6615 31.3873 175.2872 6 I 4.0880 7.4986 119.4334 60.2111 38.2355 173.9469 7 Y 4.6434 9.3080 125.1801 56.3190 41.7833 173.7635 8 Y 4.8262 8.8926 121.0964 56.4231 40.2464 175.9008 9 S 4.6807 8.2908 118.6635 57.0714 65.4147 173.4261 10 D 4.6661 8.5612 119.2276 54.2457 41.2584 176.3002 11 K 4.7447 8.3605 120.4630 56.3935 34.0342 176.6886 12 Y 4.8592 8.5547 120.5599 56.7285 40.5307 173.6529 13 D 5.6396 9.0044 124.1149 51.8134 42.5162 174.7043 14 D 5.1398 8.7507 118.4265 51.7883 42.5210 175.1662 15 E 4.3208 8.6915 114.3961 55.1823 29.0950 175.4488 16 E 4.8118 7.1042 131.0942 57.1549 32.1045 175.2637 17 F 5.1058 8.2504 116.0080 55.3255 43.8067 173.5582 18 E 4.6990 8.8358 120.0900 55.0009 31.9308 174.4271 19 Y 5.1686 8.3827 124.9727 56.9419 41.2723 174.9936 20 R 4.3808 8.1411 116.8944 55.9192 34.3773 173.1525 21 H 5.4118 8.6092 121.9559 54.1409 31.6375 173.7525 22 V 4.5819 8.7816 120.0591 61.3071 34.6457 174.0820 23 M 4.7818 9.0559 127.3664 53.9009 33.7124 174.6467 24 L 4.7965 8.8092 127.4471 52.8373 43.4978 175.4770 25 P 4.3981 0.0000 0.0000 62.4624 32.1807 177.4893 26 K 4.0542 8.8854 122.1653 59.6998 31.6288 178.7664 27 D 4.4559 8.1425 117.6912 56.3952 41.0487 177.3789 28 I 4.2939 8.1030 118.5732 60.9801 37.8023 177.0782 29 A 4.0401 7.7386 123.4075 55.0198 17.9146 179.8927 30 K 4.0578 7.9630 115.0200 59.3698 32.9387 177.8886 31 L 4.1471 7.8703 118.2996 55.6438 41.8935 176.8116 32 V 3.9515 7.4187 119.5211 60.8706 31.6581 173.8545 33 P 4.2288 0.0000 0.0000 63.3904 31.5909 176.3338 34 K 4.2889 8.5667 120.7995 57.3298 33.0595 177.4299 35 T 4.4411 7.7658 106.5282 61.6571 69.7695 173.9640 36 H 4.9845 7.4958 116.4043 53.5861 31.6438 173.1090 37 L 4.0914 8.3089 120.8969 54.9350 42.1966 176.9991 38 M 5.1112 8.7378 120.5569 54.3321 33.2475 175.8217 39 S 4.9467 8.3221 114.2742 56.0527 65.6827 174.5908 40 E 2.0000 8.6852 121.9785 59.3035 28.8402 179.4670 41 S 3.8788 7.0236 111.5308 61.3387 62.8080 175.7080 42 E 4.1029 8.2210 121.7878 59.2453 29.1947 179.4400 43 W 4.4711 8.0291 116.1634 59.6058 27.7524 177.9620 44 R 4.5711 7.6657 120.7039 58.5701 29.2123 177.9233 45 N 4.5247 8.2749 115.9138 55.6212 38.7081 176.7669 46 L 4.3036 7.6336 119.1631 55.2794 41.8715 177.5602 47 G 4.0979 7.5411 105.4446 45.0879 0.0000 173.9951 48 V 3.8626 8.1654 121.0177 62.5118 31.8010 174.5491 49 Q 5.0119 8.4161 127.2798 54.3461 30.3953 174.9674 50 Q 4.3827 8.4620 119.1739 55.0938 30.9957 173.2801 51 S 4.1755 8.7029 112.2302 58.8151 62.5330 174.6593 52 Q 4.4228 8.5280 127.8133 58.5671 28.7710 177.5278 53 G 3.7378 7.5934 103.3143 45.9614 0.0000 173.4313 54 W 4.5880 8.2123 121.3331 56.1623 29.7725 175.6841 55 V 4.8442 9.1313 123.5815 61.2326 33.8178 173.9323 56 H 4.6030 9.7568 128.2513 56.7334 29.4104 173.9617 57 Y 4.6917 8.3508 124.0780 57.0291 38.9170 175.3003 58 M 4.1663 6.8888 116.8644 54.8899 34.8871 173.1407 59 I 4.1168 7.9155 124.1394 60.0217 38.9484 175.7417 60 H 4.5141 8.3999 125.1795 54.7489 28.6674 175.1523 61 E 3.9678 8.6749 125.5387 58.9953 29.6224 177.1343 62 P 4.3258 0.0000 0.0000 65.2484 31.6149 176.7367 63 E 4.6010 7.2067 117.1480 53.3381 30.1415 174.1545 64 P 4.4165 0.0000 0.0000 64.6186 31.8580 177.5223 65 H 4.5060 8.1502 114.3455 56.6239 30.0393 174.6486 66 I 4.6415 7.5061 120.8914 59.6241 37.4522 175.3208 67 L 3.9561 8.5692 128.2107 54.3703 43.0186 176.4347 68 L 4.8763 8.0753 122.8023 53.3867 43.5475 175.6391 69 F 5.5906 8.5026 122.6118 56.1172 42.5253 174.7948 70 R 5.2761 8.9143 114.5527 56.0322 32.7000 173.8564 71 R 4.9447 8.4317 116.1989 53.5596 33.3118 172.4703 72 P 4.3896 0.0000 0.0000 63.2519 31.8199 175.2997 73 L 4.1903 8.0582 126.8917 53.3287 42.2819 174.8803 74 P 4.1667 0.0000 0.0000 63.4512 31.9656 172.2113 75 K 3.9346 8.8420 128.8022 55.9831 31.7473 176.4402 76 K 3.9643 8.3896 121.7007 57.7495 31.8116 174.4610 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 Q 8.34 4.46 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 6 I 7.50 4.09 1.74 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.51 0.00 0.00 7 Y 9.31 4.64 0.00 2.86 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 8 Y 8.89 4.83 0.00 2.75 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 9 S 8.29 4.68 0.00 3.84 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 10 D 8.56 4.67 0.00 2.78 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 11 K 8.36 4.74 0.00 1.76 1.86 0.00 1.88 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.62 1.51 7.81 12 Y 8.55 4.86 0.00 3.09 3.07 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 13 D 9.00 5.64 0.00 2.92 2.69 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 14 D 8.75 5.14 0.00 2.88 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 15 E 8.69 4.32 0.00 2.09 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 2.27 2.25 0.00 16 E 7.10 4.81 0.00 1.92 1.80 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 1.79 1.47 0.00 17 F 8.25 5.11 0.00 2.51 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 0.00 0.00 0.00 18 E 8.84 4.70 0.00 1.86 1.55 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 0.00 2.29 2.44 0.00 19 Y 8.38 5.17 0.00 2.34 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 4.38 0.00 1.51 0.82 0.00 3.01 0.00 0.00 2.63 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.29 0.00 21 H 8.61 5.41 0.00 3.38 3.49 0.00 5.27 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.78 4.58 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 0.45 0.00 0.00 0.73 0.00 0.00 23 M 9.06 4.78 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 24 L 8.81 4.80 0.00 1.81 1.59 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.40 0.00 2.38 2.22 0.00 3.72 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 2.08 2.00 0.00 26 K 8.89 4.05 0.00 1.76 1.87 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.37 7.81 27 D 8.14 4.46 0.00 2.65 2.74 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 28 I 8.10 4.29 1.97 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 1.47 0.62 0.93 0.00 0.00 29 A 7.74 4.04 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 30 K 7.96 4.06 0.00 1.88 1.96 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 31 L 7.87 4.15 0.00 1.77 1.78 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.42 3.95 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 0.75 0.00 0.00 0.94 0.00 0.00 33 P 0.00 4.23 0.00 2.00 1.62 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 34 K 8.57 4.29 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.33 7.81 35 T 7.77 4.44 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 1.21 0.00 0.00 36 H 7.50 4.98 0.00 3.20 3.26 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.31 4.09 0.00 1.66 1.54 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.74 5.11 0.00 2.33 2.43 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 39 S 8.32 4.95 0.00 3.95 3.96 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 40 E 8.69 2.00 0.00 1.84 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 1.95 1.47 0.00 41 S 7.02 3.88 0.00 3.61 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 42 E 8.22 4.10 0.00 2.23 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 2.36 2.32 0.00 43 W 8.03 4.47 0.00 3.64 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.57 0.00 1.67 1.93 0.00 2.99 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 45 N 8.27 4.52 0.00 2.95 2.89 0.00 0.00 7.03 7.60 0.00 0.00 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 L 7.63 4.30 0.00 1.81 1.79 1.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.54 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 48 V 8.17 3.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.04 0.00 0.00 49 Q 8.42 5.01 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 50 Q 8.46 4.38 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 1.76 2.12 0.00 51 S 8.70 4.18 0.00 4.00 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 0.00 52 Q 8.53 4.42 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 53 G 7.59 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 0.00 0.00 0.00 54 W 8.21 4.59 0.00 3.22 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 55 V 9.13 4.84 2.25 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 1.14 0.00 0.00 1.15 0.00 0.00 56 H 9.76 4.60 0.00 3.19 3.56 0.00 5.77 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.35 4.69 0.00 2.97 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 58 M 6.89 4.17 0.00 1.01 1.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 59 I 7.92 4.12 1.91 0.00 0.00 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 1.18 0.91 0.90 0.00 0.00 60 H 8.40 4.51 0.00 3.06 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.67 3.97 0.00 1.92 1.96 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 2.27 2.26 0.00 62 P 0.00 4.33 0.00 1.81 2.05 0.00 3.27 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 1.96 2.05 0.00 63 E 7.21 4.60 0.00 2.10 1.82 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 2.28 2.21 0.00 64 P 0.00 4.42 0.00 2.16 2.14 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 65 H 8.15 4.51 0.00 3.41 3.57 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.51 4.64 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.13 0.70 0.00 0.00 67 L 8.57 3.96 0.00 1.52 0.98 0.91 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.08 4.88 0.00 1.52 1.27 0.86 0.93 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 69 F 8.50 5.59 0.00 2.94 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 70 R 8.91 5.28 0.00 0.97 1.53 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.95 0.00 71 R 8.43 4.94 0.00 1.49 1.32 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 72 P 0.00 4.39 0.00 2.00 2.11 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 73 L 8.06 4.19 0.00 1.61 1.52 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.17 0.00 2.02 1.90 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 75 K 8.84 3.93 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.37 7.81 76 K 8.39 3.96 0.00 1.76 1.65 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 1.18 7.81