NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8287 8.1976 109.7371 44.1814 0.0000 174.5961 4 I 2.9844 9.0298 113.7444 61.1497 37.8478 173.3861 5 R 4.7711 8.4612 122.8498 53.9711 30.6389 177.2445 6 E 4.2705 8.4433 123.4031 55.9997 31.1471 176.0826 7 K 4.7788 8.4965 120.9590 56.0775 33.4816 176.4070 8 I 4.7384 9.9495 124.1390 59.3586 41.1278 174.9929 9 K 4.9418 8.5570 123.4470 54.9154 33.9719 175.1609 10 L 5.3035 8.9573 127.2511 54.8717 42.3715 176.7042 11 V 4.7254 8.5481 124.4658 61.8249 33.5923 174.9191 12 S 3.8116 8.2567 120.9130 57.6821 62.4204 174.5714 13 S 4.3074 7.9088 119.4406 60.6535 63.0554 174.7407 14 A 4.2023 8.0959 124.1546 51.2074 18.7918 178.5020 15 G 3.7766 8.6031 109.0856 48.0684 0.0000 174.5602 16 T 3.8996 7.5216 110.8580 61.8775 68.9810 175.0647 17 G 3.9725 8.6625 112.3694 46.3639 0.0000 172.9659 18 H 4.6648 8.0155 121.0395 56.5082 31.0109 174.0498 19 F 5.2749 7.8881 116.1220 56.6608 40.4453 172.3978 20 Y 4.4200 9.2841 117.8467 56.5368 41.1253 174.6072 21 T 5.2146 8.0540 114.3007 61.2518 70.0821 172.6600 22 T 4.5568 8.4143 121.0675 62.0568 71.4840 171.4341 23 T 4.7199 8.4682 111.0675 60.1596 71.7684 173.0193 24 K 4.5040 9.0597 122.4678 55.1899 36.4054 174.6052 25 N 5.0496 8.3616 123.4079 51.2736 36.9878 174.9006 26 K 3.8409 8.3705 122.2699 58.8137 32.8004 177.7308 27 R 4.1715 7.9410 116.2479 58.5586 30.0706 177.0239 28 T 4.6623 8.2856 104.5632 60.7315 71.2327 174.2038 29 K 4.9277 7.5465 120.5977 53.2727 32.0842 174.9390 30 P 4.2298 0.0000 0.0000 64.6958 32.1434 177.2720 31 E 3.9591 7.6818 117.8190 55.8673 29.5273 176.2171 32 K 4.9283 8.6226 123.7353 56.1718 32.5171 176.5544 33 L 4.3235 8.5536 127.7820 55.1790 42.8349 175.7283 34 E 5.0725 8.7575 123.3748 55.1307 33.4405 175.2045 35 L 4.3077 8.8961 118.5086 55.2301 44.6048 171.1862 36 K 4.9144 8.5553 127.3086 56.3875 32.3760 175.1692 37 K 4.4482 8.4706 121.7185 55.5382 35.5199 173.7642 38 F 4.6148 8.6628 121.5503 57.5351 40.5454 175.9769 39 D 5.0864 7.1622 126.7549 50.8708 40.4879 174.4656 40 P 4.3411 0.0000 0.0000 65.6194 31.5005 177.9579 41 V 3.6174 7.8261 115.5499 66.3369 31.0111 176.9113 42 V 3.7778 8.2590 117.0975 62.7071 31.6137 176.3903 43 R 4.3645 7.6226 116.2648 57.4116 27.9553 175.4899 44 Q 4.6249 6.9312 116.6199 54.4858 32.6910 173.8258 45 H 4.5192 9.1094 123.0522 57.1063 29.9056 174.9113 46 V 4.3015 8.7065 118.8199 61.6806 34.7382 171.6617 47 I 4.5684 7.7010 121.2329 60.4983 37.7443 175.0142 48 Y 4.4706 8.6201 125.5112 57.3190 39.4079 174.7500 49 K 5.0489 9.1851 125.7944 55.3845 36.2747 173.8392 50 E 3.6578 9.1393 121.6180 57.3942 28.2134 174.8294 51 A 4.4289 8.4376 122.7166 51.7972 20.2960 176.1796 52 K 4.9512 7.9948 119.7167 56.1871 31.5793 176.3383 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 3 G 8.20 3.83 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 0.00 0.00 0.00 4 I 9.03 2.98 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 1.42 0.65 0.91 0.00 0.00 5 R 8.46 4.77 0.00 1.70 1.94 0.00 3.29 0.00 0.00 3.08 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 6 E 8.44 4.27 0.00 1.98 1.88 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 2.41 2.41 0.00 7 K 8.50 4.78 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 8 I 9.95 4.74 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 1.31 0.99 0.97 0.00 0.00 9 K 8.56 4.94 0.00 1.96 1.95 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 10 L 8.96 5.30 0.00 1.86 1.92 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.55 4.73 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 0.99 0.00 0.00 1.02 0.00 0.00 12 S 8.26 3.81 0.00 3.30 3.75 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 13 S 7.91 4.31 0.00 3.89 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 14 A 8.10 4.20 1.18 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 15 G 8.60 3.78 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 0.00 0.00 0.00 16 T 7.52 3.90 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 1.17 0.00 0.00 17 G 8.66 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 18 H 8.02 4.66 0.00 3.24 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.89 5.27 0.00 3.36 2.98 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 0.00 0.00 0.00 0.00 20 Y 9.28 4.42 0.00 2.67 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 21 T 8.05 5.21 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 1.17 0.00 0.00 22 T 8.41 4.56 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 1.23 0.00 0.00 23 T 8.47 4.72 4.32 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 1.22 0.00 0.00 24 K 9.06 4.50 0.00 1.81 1.64 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.40 7.81 25 N 8.36 5.05 0.00 2.87 2.67 0.00 0.00 6.52 6.75 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 26 K 8.37 3.84 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 27 R 7.94 4.17 0.00 1.96 1.98 0.00 3.38 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 28 T 8.29 4.66 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 29 K 7.55 4.93 0.00 1.76 1.84 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.32 7.81 30 P 0.00 4.23 0.00 2.04 2.12 0.00 3.69 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 2.03 2.23 0.00 31 E 7.68 3.96 0.00 2.09 2.12 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 2.30 2.44 0.00 32 K 8.62 4.93 0.00 1.68 1.84 0.00 1.83 0.00 0.00 2.38 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.25 7.81 33 L 8.55 4.32 0.00 1.66 1.58 0.93 0.94 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 34 E 8.76 5.07 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 35 L 8.90 4.31 0.00 1.70 1.71 0.87 0.47 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 36 K 8.56 4.91 0.00 2.01 2.08 0.00 1.79 0.00 0.00 2.39 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.46 7.81 37 K 8.47 4.45 0.00 1.15 1.08 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.19 7.81 38 F 8.66 4.61 0.00 2.76 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 39 D 7.16 5.09 0.00 2.63 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 40 P 0.00 4.34 0.00 2.10 2.26 0.00 3.13 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.42 0.00 41 V 7.83 3.62 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 0.97 0.00 0.00 42 V 8.26 3.78 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 0.85 0.00 0.00 0.86 0.00 0.00 43 R 7.62 4.36 0.00 2.01 2.11 0.00 3.24 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 44 Q 6.93 4.62 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 45 H 9.11 4.52 0.00 3.14 3.34 0.00 5.99 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.71 4.30 1.98 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 0.28 0.00 0.00 0.84 0.00 0.00 47 I 7.70 4.57 1.85 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 1.24 1.07 0.94 0.00 0.00 48 Y 8.62 4.47 0.00 2.95 2.97 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 49 K 9.19 5.05 0.00 1.82 1.59 0.00 2.04 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 E 9.14 3.66 0.00 2.11 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 0.00 2.26 2.49 0.00 51 A 8.44 4.43 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 52 K 7.99 4.95 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81