NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 3.9100 8.0544 120.3880 62.8469 32.7930 175.9308 23 D 4.3487 8.0890 125.9577 52.2104 40.4384 175.2157 24 A 3.7311 8.0806 128.4131 54.5666 18.9897 178.0652 25 E 2.6569 7.1996 116.9729 58.9552 29.6327 178.8057 26 A 3.8634 7.7626 120.3048 54.9990 18.4335 179.5756 27 V 3.4441 7.5337 116.7969 66.0320 31.4916 178.4954 28 V 3.5423 7.6066 117.9870 66.1322 31.1587 178.1132 29 Q 3.9899 7.9268 116.7970 58.9636 28.5564 178.4568 30 Q 4.1570 8.1338 118.5586 57.9137 28.9458 177.6410 31 K 4.5638 8.1856 115.7149 56.1508 34.0277 176.3342 32 C 4.8546 8.3676 115.9563 59.3526 30.6265 175.9113 33 I 4.1122 7.7348 113.3368 63.0114 37.1423 177.8856 34 S 4.0928 8.1439 115.6140 61.2294 62.8518 175.1592 35 C 4.6356 7.9050 119.7573 59.7461 29.3948 174.6374 36 H 4.7471 8.3566 115.7983 54.5738 29.0835 175.8604 37 G 4.2811 7.9568 108.1768 45.5103 0.0000 175.1604 38 G 3.6151 8.5964 110.0550 47.7388 0.0000 174.1467 39 D 4.7367 8.0390 116.7318 52.5044 39.7933 176.4782 40 L 3.7929 8.0446 117.6496 56.4594 39.7373 175.1467 41 T 4.4248 7.9433 111.3214 61.8479 67.1385 175.2312 42 G 4.1835 9.0429 106.9324 45.7488 0.0000 171.8601 43 A 4.7858 8.8851 123.6720 52.3975 20.4983 178.1216 44 S 4.1346 9.5740 119.0009 60.2141 64.2397 174.7955 45 A 4.6278 7.8722 123.4285 49.1844 20.9352 174.0826 46 P 4.6989 0.0000 0.0000 61.9903 31.9886 176.8093 47 A 4.4509 8.3403 122.9549 52.8499 18.9971 177.6294 48 I 4.6617 8.8630 111.7351 60.3420 38.9216 177.1145 49 D 4.4607 8.2553 121.3823 55.7036 39.6499 176.7631 50 K 4.5518 7.7652 119.2615 55.6556 33.3974 177.8322 51 A 4.1320 8.1476 125.3639 55.4119 18.3584 181.1517 52 G 3.9061 8.1836 102.8098 46.6495 0.0000 174.6678 53 A 4.1548 7.9480 122.3757 53.9499 18.6396 177.8493 54 N 4.7223 7.9935 110.7806 53.3299 40.7879 174.3374 55 Y 4.9030 8.0308 115.3341 55.1695 41.9826 175.1705 56 S 4.5299 9.5179 118.5156 57.5750 65.4501 175.0275 57 E 3.9116 8.7311 122.7833 59.7715 29.2050 178.7137 58 E 3.9386 8.1729 118.5464 59.2822 29.7584 178.3922 59 E 4.0134 8.3732 118.6849 59.5407 29.5030 179.4144 60 I 3.6250 8.0575 119.9814 64.1231 37.0375 178.2724 61 L 3.9249 8.2020 121.4479 58.1190 41.9328 178.4048 62 D 4.3159 8.2927 118.1153 57.5142 41.0846 178.3759 63 I 3.8508 7.7571 120.1719 64.3617 36.8493 178.5151 64 I 3.6820 7.6473 119.5250 64.4309 37.2377 178.2786 65 L 4.1497 8.2651 119.9911 57.2396 41.3407 178.4498 66 N 4.8456 8.5617 113.3824 51.4691 40.0101 175.8339 67 G 3.9197 9.1007 107.1683 45.2117 0.0000 172.7154 68 Q 4.3387 9.0279 114.0905 56.3038 33.6221 173.6454 69 G 4.1087 8.7431 115.5071 46.8868 0.0000 176.1557 70 G 3.6762 8.9049 114.0906 46.7321 0.0000 172.5406 71 M 4.3199 8.3007 122.2006 53.4578 33.0610 173.9325 72 P 4.6328 0.0000 0.0000 62.6300 32.2102 176.0658 73 G 3.8199 8.3572 109.0751 45.6693 0.0000 174.2273 74 G 3.9530 8.6456 106.5180 45.5242 0.0000 175.0290 75 I 3.8088 7.7396 120.7060 63.4226 37.3752 176.1147 76 A 4.7858 7.5990 119.9909 50.3137 22.3180 174.6660 77 K 4.6928 7.9963 117.8759 54.8573 37.4805 177.8432 78 G 3.6790 8.5733 108.6162 46.2610 0.0000 176.0683 79 A 3.9579 8.6270 121.0718 55.0610 18.1575 179.1368 80 E 3.8001 8.1175 117.1015 59.4693 29.7958 178.7505 81 A 4.0078 7.9267 120.7939 55.2415 18.3783 179.4774 82 E 3.9317 8.4764 117.0407 59.4359 29.4992 179.4835 83 A 4.0154 8.3043 121.1636 55.0325 18.3651 179.8835 84 V 3.6045 8.0270 116.6363 66.0672 31.6447 178.0309 85 A 4.0196 8.4483 120.7209 55.2952 18.0079 179.5188 86 A 4.0086 8.0715 118.1738 54.8628 18.5803 179.4792 87 W 4.2414 8.4971 126.9646 60.8007 30.8933 178.4178 88 L 3.7719 8.6464 119.1008 57.4938 40.8834 179.2509 89 A 4.0509 8.2682 120.7439 54.5576 18.0342 178.4161 90 E 4.5164 7.5752 114.6230 55.3831 30.1627 176.1418 91 K 4.2288 7.5227 120.8257 54.8718 32.6387 177.0071 92 K 4.1426 8.2328 122.6935 56.5734 33.0670 176.3369 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 22 V 8.05 3.91 2.05 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 0.89 0.00 0.00 0.91 0.00 0.00 23 D 8.09 4.35 0.00 2.75 2.46 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 24 A 8.08 3.73 0.94 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 0.00 0.00 0.00 0.00 0.00 25 E 7.20 2.66 0.00 1.45 1.65 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 2.23 2.17 0.00 26 A 7.76 3.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.44 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 1.01 0.00 0.00 0.93 0.00 0.00 28 V 7.61 3.54 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 1.18 0.00 0.00 0.95 0.00 0.00 29 Q 7.93 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 30 Q 8.13 4.16 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 31 K 8.19 4.56 0.00 1.76 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.50 7.81 32 C 8.37 4.85 0.00 3.05 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 33 I 7.73 4.11 1.89 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 1.89 0.62 0.97 0.00 0.00 34 S 8.14 4.09 0.00 4.03 4.05 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 35 C 7.90 4.64 0.00 2.81 2.84 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 0.00 0.00 0.00 0.00 36 H 8.36 4.75 0.00 3.36 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.96 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 0.00 0.00 0.00 0.00 38 G 8.60 3.62 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 0.00 0.00 0.00 39 D 8.04 4.74 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.79 0.00 1.94 1.89 1.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.94 4.42 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 42 G 9.04 4.18 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 0.00 43 A 8.89 4.79 1.11 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 0.00 0.00 44 S 9.57 4.13 0.00 4.00 4.12 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 45 A 7.87 4.63 1.16 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 0.00 0.00 46 P 0.00 4.70 0.00 2.11 2.04 0.00 3.75 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 2.07 2.11 0.00 47 A 8.34 4.45 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.86 4.66 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.68 0.00 0.00 49 D 8.26 4.46 0.00 2.78 2.94 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 0.00 0.00 0.00 50 K 7.77 4.55 0.00 1.78 1.76 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.36 7.81 51 A 8.15 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 53 A 7.95 4.15 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 54 N 7.99 4.72 0.00 2.66 2.47 0.00 0.00 6.68 7.46 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 55 Y 8.03 4.90 0.00 3.14 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 56 S 9.52 4.53 0.00 4.02 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 57 E 8.73 3.91 0.00 2.08 2.03 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 2.41 2.49 0.00 58 E 8.17 3.94 0.00 2.14 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 2.39 2.48 0.00 59 E 8.37 4.01 0.00 2.41 2.19 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 2.42 2.42 0.00 60 I 8.06 3.62 2.02 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 1.31 0.79 0.89 0.00 0.00 61 L 8.20 3.92 0.00 1.76 1.84 0.93 1.33 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 62 D 8.29 4.32 0.00 2.97 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 63 I 7.76 3.85 1.91 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.82 0.00 0.00 64 I 7.65 3.68 1.99 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 1.51 0.61 0.91 0.00 0.00 65 L 8.27 4.15 0.00 1.67 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.56 4.85 0.00 2.78 2.83 0.00 0.00 7.17 7.41 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 67 G 9.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.03 4.34 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 69 G 8.74 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 0.00 0.00 0.00 70 G 8.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.30 4.32 0.00 2.13 1.94 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 2.56 2.47 0.00 72 P 0.00 4.63 0.00 2.21 2.03 0.00 3.80 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 1.98 1.95 0.00 73 G 8.36 3.82 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 0.00 0.00 0.00 74 G 8.65 3.95 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 0.00 0.00 0.00 75 I 7.74 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.91 0.00 0.00 76 A 7.60 4.79 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.00 4.69 0.00 1.75 1.64 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 78 G 8.57 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.63 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.12 3.80 0.00 2.03 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 2.34 2.34 0.00 81 A 7.93 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.48 3.93 0.00 2.16 2.03 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 2.34 2.54 0.00 83 A 8.30 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.03 3.60 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 1.17 0.00 0.00 0.92 0.00 0.00 85 A 8.45 4.02 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.07 4.01 1.47 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 0.00 0.00 87 W 8.50 4.24 0.00 3.48 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.65 3.77 0.00 1.83 1.69 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.27 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.58 4.52 0.00 1.88 1.90 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 2.47 2.46 0.00 91 K 7.52 4.23 0.00 1.68 1.70 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.52 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.91 0.92 7.81 92 K 8.23 4.14 0.00 1.63 1.59 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.35 7.81