NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.3803 8.1933 115.3965 57.9023 64.9807 174.2373 35 S 4.1631 7.3707 117.4461 57.7167 62.8972 174.2648 36 G 3.7176 7.7145 110.6515 47.3412 0.0000 175.5374 37 R 4.1222 7.5970 115.1459 57.3607 29.8606 177.5315 38 F 4.8684 8.4800 118.3407 58.4887 40.0451 176.6863 39 G 4.0071 7.4536 108.5134 46.5866 0.0000 174.7359 40 A 4.1745 8.4787 124.0809 53.1355 19.1076 177.7416 41 R 3.9152 6.9304 113.9563 56.3614 30.9778 175.6366 42 Y 4.0813 7.9940 120.2386 59.7219 35.9413 169.3943 43 G 4.0064 8.2410 102.3364 43.5032 0.0000 174.4151 44 R 3.9628 8.7049 117.8094 59.6569 29.8427 179.4153 45 V 3.6945 7.8966 117.1469 66.0046 29.8493 178.4141 46 S 4.2953 7.9795 115.5243 60.9442 62.6222 176.1781 47 R 4.7459 7.6929 117.8346 55.6355 31.0174 176.5649 48 R 4.3938 7.7819 117.2569 58.6410 31.9731 176.6107 49 R 4.2495 8.3052 114.9526 57.2618 30.5031 177.7860 50 V 4.1353 7.2866 116.2386 63.6855 32.9999 177.1136 51 A 4.2783 7.7871 120.5895 54.0414 18.7741 178.8206 52 E 4.1357 8.2384 117.2772 59.3549 29.8330 179.2909 53 I 3.8845 7.6986 119.3733 63.4059 36.9130 176.8436 54 E 4.6620 7.8155 117.9250 56.3896 30.3145 176.9307 55 S 4.5443 7.8290 113.3968 59.8889 64.5552 174.6124 56 E 4.7239 8.0195 121.6462 57.1560 29.2740 178.0005 57 M 4.4627 7.5087 117.5234 59.1022 32.4088 176.9174 58 N 4.6918 8.1447 112.8759 54.4708 39.3103 175.2391 59 E 4.0489 7.7315 118.1512 56.5550 30.0067 175.9663 60 D 5.0562 8.1435 120.9558 53.1150 40.9969 175.9803 61 H 4.8215 8.4307 120.8614 53.7949 31.9146 174.0726 62 A 4.5935 8.3693 121.7782 51.8278 19.0637 176.9500 63 C 4.2057 8.7842 124.2205 58.2755 32.0956 172.6705 64 P 4.1960 0.0000 0.0000 64.4847 30.9522 177.0139 65 N 4.0666 7.2014 116.0669 54.5801 38.4872 174.8108 66 C 4.5871 7.6385 110.2120 57.0638 32.4490 174.8504 67 G 4.9951 7.1629 119.9150 45.2045 0.0000 172.0470 68 E 4.3191 7.1517 119.7009 54.9208 30.9291 177.2217 69 D 4.7919 8.2449 119.1251 56.5596 41.2057 175.1075 70 R 4.3162 7.8985 117.8205 56.7123 30.0183 176.1697 71 V 4.6357 8.2325 122.3080 61.4193 34.0256 174.1989 72 D 5.1160 8.7740 127.1975 53.0560 43.8032 175.2437 73 R 4.1390 8.4347 119.4531 54.9114 31.3666 175.5568 74 Q 4.3111 8.4339 124.2696 55.7411 30.8163 176.8277 75 G 3.7559 6.6485 104.3778 46.3235 0.0000 172.6362 76 T 3.8816 8.2024 119.4769 65.4236 67.4643 173.8785 77 G 4.0348 8.4809 116.4343 45.7057 0.0000 171.3326 78 I 4.4023 6.6408 120.4006 60.2907 38.8219 175.2564 79 W 5.0328 8.7843 125.2683 54.9761 33.1174 173.8192 80 Q 5.1866 9.0643 121.8125 55.5341 33.1536 172.9977 81 C 5.0719 8.3554 116.7465 59.0174 34.2326 174.6835 82 S 4.4238 9.1966 121.0480 59.7315 64.4168 174.2313 83 Y 3.9727 8.1657 123.7057 59.8064 37.6289 175.4940 84 C 4.2893 9.2414 114.8273 58.2310 31.0472 173.8267 85 D 5.2350 7.5287 117.8648 55.4422 38.1795 174.3367 86 Y 4.6316 8.1145 121.3849 56.9003 37.9271 172.6592 87 K 5.0567 8.5665 125.3560 54.7076 33.3834 175.0595 88 F 5.0618 8.8346 121.8317 55.6883 42.0156 172.8656 89 T 4.8827 8.2436 108.2692 60.4006 70.7350 173.9586 90 G 3.9341 8.0582 108.9965 45.9722 0.0000 172.5460 91 G 3.9930 7.9887 108.1033 45.7431 0.0000 174.3186 92 S 4.0431 8.6260 117.6458 60.9835 62.1701 174.8840 93 Y 4.8841 7.5753 114.2410 57.9454 39.9571 175.5769 94 K 4.4117 7.6176 120.4676 53.6300 32.9167 175.3090 95 P 2.9700 0.0000 0.0000 64.2715 30.9720 175.9254 96 E 4.4825 7.3401 118.2712 55.0800 32.4765 174.6943 97 T 4.4071 8.2483 114.2820 59.7698 70.3878 174.1161 98 P 4.2384 0.0000 0.0000 65.2813 31.8506 177.8202 99 G 3.8278 8.0538 105.9506 46.6920 0.0000 175.0893 100 G 3.9615 7.8115 106.4280 45.0309 0.0000 174.8567 101 K 4.3798 7.7676 119.7734 57.9355 32.2023 178.4541 102 T 4.0535 7.4388 114.7861 65.9349 68.0684 176.6095 103 V 3.7228 7.8681 119.5293 66.6623 31.4075 176.8352 104 R 3.8430 8.1389 115.7803 58.2512 29.7534 181.1561 105 R 2.9439 6.4753 111.5449 55.5358 31.8684 176.7097 106 S 4.3848 7.7557 118.0948 58.5829 63.2246 174.3085 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 34 S 8.19 4.38 0.00 3.95 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 35 S 7.37 4.16 0.00 3.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.60 4.12 0.00 2.04 2.10 0.00 3.17 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 38 F 8.48 4.87 0.00 3.26 3.41 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 0.00 39 G 7.45 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 0.00 0.00 0.00 40 A 8.48 4.17 1.24 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 0.00 0.00 41 R 6.93 3.92 0.00 0.67 0.74 0.00 2.93 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.00 42 Y 7.99 4.08 0.00 3.16 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 43 G 8.24 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 0.00 0.00 0.00 44 R 8.70 3.96 0.00 1.89 2.01 0.00 3.17 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 45 V 7.90 3.69 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 1.17 0.00 0.00 0.95 0.00 0.00 46 S 7.98 4.30 0.00 4.36 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.69 4.75 0.00 1.87 1.95 0.00 3.02 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 48 R 7.78 4.39 0.00 1.93 1.93 0.00 3.19 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 49 R 8.31 4.25 0.00 1.98 1.95 0.00 3.18 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 50 V 7.29 4.14 2.47 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 1.13 0.00 0.00 0.99 0.00 0.00 51 A 7.79 4.28 1.24 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 0.00 0.00 52 E 8.24 4.14 0.00 2.12 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 0.00 2.32 2.43 0.00 53 I 7.70 3.88 1.78 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 1.64 0.88 0.54 0.00 0.00 54 E 7.82 4.66 0.00 2.02 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 2.24 2.31 0.00 55 S 7.83 4.54 0.00 4.15 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 56 E 8.02 4.72 0.00 2.15 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 0.00 2.38 2.37 0.00 57 M 7.51 4.46 0.00 2.28 2.55 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.19 2.69 0.00 58 N 8.14 4.69 0.00 2.78 2.90 0.00 0.00 6.91 7.66 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 59 E 7.73 4.05 0.00 2.30 1.66 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 2.30 2.56 0.00 60 D 8.14 5.06 0.00 2.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.43 4.82 0.00 3.05 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.37 4.59 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.78 4.21 0.00 3.01 2.77 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 64 P 0.00 4.20 0.00 2.04 2.04 0.00 3.21 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 1.88 2.08 0.00 65 N 7.20 4.07 0.00 2.44 2.65 0.00 0.00 6.75 6.96 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 66 C 7.64 4.59 0.00 3.03 2.93 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 0.00 0.00 0.00 67 G 7.16 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.15 4.32 0.00 1.73 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 1.78 2.13 0.00 69 D 8.24 4.79 0.00 2.67 2.68 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 70 R 7.90 4.32 0.00 1.72 2.02 0.00 3.10 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 71 V 8.23 4.64 2.23 0.00 0.00 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 1.13 0.00 0.00 72 D 8.77 5.12 0.00 2.88 2.66 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 73 R 8.43 4.14 0.00 1.42 1.54 0.00 2.90 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 74 Q 8.43 4.31 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 75 G 6.65 3.76 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 0.00 0.00 0.00 76 T 8.20 3.88 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 1.10 0.00 0.00 77 G 8.48 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 6.64 4.40 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.80 0.00 0.00 79 W 8.78 5.03 0.00 2.28 2.93 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 0.00 0.00 0.00 80 Q 9.06 5.19 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 81 C 8.36 5.07 0.00 3.22 3.03 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 0.00 0.00 0.00 82 S 9.20 4.42 0.00 4.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.17 3.97 0.00 3.05 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 84 C 9.24 4.29 0.00 3.17 3.17 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 85 D 7.53 5.24 0.00 3.05 2.87 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 86 Y 8.11 4.63 0.00 2.86 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 87 K 8.57 5.06 0.00 1.86 1.72 0.00 1.61 0.00 0.00 2.41 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.49 7.81 88 F 8.83 5.06 0.00 2.93 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 0.00 0.00 0.00 0.00 89 T 8.24 4.88 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 90 G 8.06 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.99 3.99 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 0.00 0.00 0.00 92 S 8.63 4.04 0.00 3.44 2.91 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 93 Y 7.58 4.88 0.00 3.10 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 94 K 7.62 4.41 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.45 7.81 95 P 0.00 2.97 0.00 1.41 0.49 0.00 3.19 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.00 96 E 7.34 4.48 0.00 1.78 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 2.19 2.23 0.00 97 T 8.25 4.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 98 P 0.00 4.24 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 99 G 8.05 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 0.00 100 G 7.81 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 0.00 0.00 0.00 101 K 7.77 4.38 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.74 7.81 102 T 7.44 4.05 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 103 V 7.87 3.72 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 0.88 0.00 0.00 1.02 0.00 0.00 104 R 8.14 3.84 0.00 1.99 1.90 0.00 3.23 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 105 R 6.48 2.94 0.00 2.05 1.94 0.00 3.13 0.00 0.00 3.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 106 S 7.76 4.38 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