NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.1427 0.0000 0.0000 61.5557 33.5077 176.1342 23 Y 4.7374 7.0422 115.1320 55.5816 40.4469 173.3663 24 K 4.3964 8.4789 122.8577 57.4990 35.4375 176.5044 25 T 4.3532 8.1983 104.4355 61.3329 70.7861 174.5088 26 K 4.5058 7.6539 132.8297 56.9449 32.7621 176.4125 27 S 4.2759 7.9563 111.4815 60.9529 62.7941 174.9759 28 D 4.3849 7.8033 119.5115 56.0346 40.7376 176.2328 29 L 3.1914 7.2939 119.4827 53.3168 42.1913 175.0171 30 P 4.3770 0.0000 0.0000 62.1663 32.1705 177.3877 31 E 3.8534 9.0593 121.8399 59.9940 28.9905 179.3525 32 S 4.4129 8.0505 111.1315 59.5119 62.6580 175.0580 33 V 4.0086 8.2361 121.1840 65.7013 31.7827 177.8677 34 K 3.5390 7.6010 117.5084 59.3033 31.5834 177.8644 35 H 4.7430 8.3699 114.9448 55.9518 28.8847 175.8153 36 V 4.6852 7.6839 114.2677 62.1813 38.2230 174.7671 37 L 4.4526 8.3589 120.7280 52.9018 42.2524 176.3607 38 P 4.5334 0.0000 0.0000 63.0001 33.2480 175.4257 39 S 4.1101 8.8977 111.4669 61.8849 62.0018 175.3611 40 H 4.3358 8.4477 122.3611 58.8576 30.0091 177.2839 41 A 3.4893 7.1423 122.6387 55.0772 17.8605 179.5778 42 Q 3.4765 7.6989 116.6295 58.8548 28.7382 178.3331 43 D 4.2312 7.9177 118.5710 57.3228 41.3109 178.0694 44 I 3.6111 7.7245 120.1779 65.1550 37.0850 177.0502 45 Y 3.8013 8.6205 120.9443 60.7040 38.3121 177.8959 46 K 4.0860 8.9747 120.0082 60.0558 32.5462 178.8680 47 E 3.9864 8.7367 118.5651 59.4590 29.3927 179.4066 48 A 4.0416 8.5005 121.2307 54.8346 18.4863 179.3931 49 F 4.0521 8.9640 120.0844 61.6463 39.4840 176.8453 50 N 4.5354 9.1882 116.4795 56.6364 38.3570 177.0908 51 S 4.2183 8.0971 113.5140 61.6789 62.6191 176.2838 52 A 4.1493 8.0179 123.0736 54.4751 17.7860 179.5273 53 W 3.8408 8.3541 126.8464 60.8525 30.9910 177.6308 54 D 3.7322 9.3022 117.2202 56.9981 40.7319 177.8636 55 Q 4.0994 8.3047 118.4287 58.1913 29.3910 177.2089 56 Y 4.1107 7.6683 122.3837 57.0906 35.9788 176.4281 57 K 3.9900 7.4149 117.3997 57.3635 32.8428 178.5265 58 D 4.3305 6.8878 119.1983 56.0834 41.9025 177.0712 59 K 4.7036 7.1173 117.5458 55.3161 34.1241 175.4545 60 E 4.3720 8.1850 120.1788 57.8297 31.2830 177.9944 61 D 5.7546 8.0582 117.8705 52.8896 42.3584 176.2951 62 R 4.6676 7.2089 120.0214 56.3577 28.9484 178.7279 63 R 4.2825 8.7498 111.1755 56.6763 30.9120 176.1550 64 D 4.9634 7.6193 118.6529 53.3048 41.3997 177.0488 65 D 5.0089 8.2803 122.1194 56.8382 40.9986 178.1338 66 A 4.0018 8.0576 121.0368 55.2295 18.2309 179.1532 67 S 4.0399 8.1868 111.4680 61.8396 62.3948 176.0493 68 R 2.0000 7.6061 120.4613 58.7162 29.5843 177.4346 69 E 3.9604 8.0216 118.4388 59.6639 29.5911 178.3606 70 E 4.0221 9.0427 119.9665 59.9142 29.5985 178.6514 71 T 3.8330 8.6399 116.1588 66.7519 68.5640 176.0144 72 A 3.5141 7.9247 122.5462 55.4346 17.9774 179.1781 73 H 4.5352 8.3815 114.7284 59.3965 29.0304 178.0031 74 K 4.0612 8.3879 120.3138 59.5476 31.8579 179.5590 75 V 3.5088 8.3886 118.4130 65.9333 31.4833 177.5940 76 A 3.7532 8.4951 121.0294 55.1551 17.6220 179.6234 77 W 3.6466 7.8477 116.7631 59.6771 28.9944 178.2716 78 A 4.2173 7.9181 120.1988 55.4584 17.6630 179.6303 79 A 3.9655 7.9931 118.9253 55.1794 18.3282 179.9890 80 V 3.5685 7.8544 117.0504 66.2207 31.4446 178.3386 81 K 4.9139 9.1802 117.9668 58.3784 31.9093 178.3836 82 H 4.5110 7.8288 118.7000 58.6933 30.3158 176.1939 83 E 4.3565 8.6011 118.7491 56.1818 30.2252 175.1436 84 Y 5.2308 8.8458 117.2947 55.9717 42.6371 174.2112 85 A 5.2338 9.7267 124.3258 50.0540 22.7747 174.9960 86 K 3.7298 7.6459 122.0694 54.7379 33.1774 177.4152 87 G 3.8635 8.9512 118.1546 45.4719 0.0000 172.7325 88 D 4.6625 8.3658 118.0144 53.8312 39.6280 176.4877 89 D 4.6961 7.1567 116.2756 54.8158 43.3240 175.5182 90 D 4.6123 7.7754 118.3930 54.2499 44.2978 175.8376 91 K 5.0950 7.6393 117.3505 54.5789 36.6700 175.1071 92 W 5.6129 9.3391 121.1479 55.5595 32.6896 174.9554 93 H 5.2801 9.9653 117.4578 53.5331 31.7992 172.5673 94 K 2.5502 9.0105 122.7082 57.6274 31.7360 175.2609 95 K 4.0302 9.5235 130.8927 58.3111 31.5249 177.5513 96 S 4.2111 7.9306 123.4626 59.2218 62.7371 174.4701 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 P 0.00 4.14 0.00 0.67 1.95 0.00 2.98 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.05 0.00 23 Y 7.04 4.74 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.48 4.40 0.00 1.87 1.75 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.41 7.81 25 T 8.20 4.35 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 1.17 0.00 0.00 26 K 7.65 4.51 0.00 1.72 1.67 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.03 1.04 7.81 27 S 7.96 4.28 0.00 3.93 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 28 D 7.80 4.38 0.00 2.65 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 29 L 7.29 3.19 0.00 1.06 0.73 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.38 0.00 2.15 2.01 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 31 E 9.06 3.85 0.00 2.09 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 2.36 2.30 0.00 32 S 8.05 4.41 0.00 3.95 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 33 V 8.24 4.01 1.74 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 -0.44 0.00 0.00 0.85 0.00 0.00 34 K 7.60 3.54 0.00 1.74 1.72 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.40 7.81 35 H 8.37 4.74 0.00 3.33 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.68 4.69 2.65 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 1.11 0.00 0.00 1.16 0.00 0.00 37 L 8.36 4.45 0.00 1.48 1.21 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.53 0.00 2.32 2.19 0.00 2.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 39 S 8.90 4.11 0.00 3.89 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 H 8.45 4.34 0.00 3.36 3.55 0.00 5.92 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 41 A 7.14 3.49 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 3.48 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 43 D 7.92 4.23 0.00 2.73 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 44 I 7.72 3.61 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.97 0.00 0.00 45 Y 8.62 3.80 0.00 2.63 2.61 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 0.00 46 K 8.97 4.09 0.00 1.46 1.80 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.60 7.81 47 E 8.74 3.99 0.00 2.11 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 2.35 2.60 0.00 48 A 8.50 4.04 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 49 F 8.96 4.05 0.00 3.31 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.19 4.54 0.00 3.11 2.98 0.00 0.00 7.06 8.17 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 51 S 8.10 4.22 0.00 4.14 3.98 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 52 A 8.02 4.15 1.23 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 0.00 0.00 0.00 53 W 8.35 3.84 0.00 3.05 3.40 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 0.00 54 D 9.30 3.73 0.00 3.14 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.30 4.10 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.39 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 56 Y 7.67 4.11 0.00 3.23 2.72 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 57 K 7.41 3.99 0.00 1.69 1.74 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.28 7.81 58 D 6.89 4.33 0.00 2.14 2.34 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 59 K 7.12 4.70 0.00 1.69 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 60 E 8.19 4.37 0.00 2.04 2.45 0.00 0.00 0.00 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 2.20 0.00 61 D 8.06 5.75 0.00 2.59 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 62 R 7.21 4.67 0.00 1.92 1.31 0.00 3.19 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 63 R 8.75 4.28 0.00 1.94 2.10 0.00 3.01 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 64 D 7.62 4.96 0.00 2.70 2.65 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 0.00 0.00 0.00 65 D 8.28 5.01 0.00 2.82 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 66 A 8.06 4.00 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 67 S 8.19 4.04 0.00 4.18 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 68 R 7.61 2.00 0.00 1.43 1.89 0.00 3.35 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.41 0.00 69 E 8.02 3.96 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 70 E 9.04 4.02 0.00 2.14 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 2.34 2.47 0.00 71 T 8.64 3.83 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 1.34 0.00 0.00 72 A 7.92 3.51 -0.78 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 73 H 8.38 4.54 0.00 3.66 3.76 0.00 5.63 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 74 K 8.39 4.06 0.00 2.04 1.92 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.75 7.81 75 V 8.39 3.51 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 1.12 0.00 0.00 0.93 0.00 0.00 76 A 8.50 3.75 0.68 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 77 W 7.85 3.65 0.00 3.57 3.12 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 78 A 7.92 4.22 1.46 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 0.00 0.00 79 A 7.99 3.97 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 80 V 7.85 3.57 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 0.52 0.00 0.00 0.62 0.00 0.00 81 K 9.18 4.91 0.00 2.00 2.19 0.00 1.94 0.00 0.00 1.98 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.88 1.68 7.81 82 H 7.83 4.51 0.00 3.29 3.61 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 4.36 0.00 2.19 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 2.38 2.62 0.00 84 Y 8.85 5.23 0.00 3.11 3.10 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 85 A 9.73 5.23 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.65 3.73 0.00 0.79 0.74 0.00 1.66 0.00 0.00 1.32 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.88 0.59 7.81 87 G 8.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.37 4.66 0.00 2.74 2.72 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 89 D 7.16 4.70 0.00 2.64 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 0.00 0.00 0.00 0.00 90 D 7.78 4.61 0.00 2.61 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 91 K 7.64 5.10 0.00 1.71 1.76 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.52 7.81 92 W 9.34 5.61 0.00 3.31 3.43 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 93 H 9.97 5.28 0.00 3.26 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.01 2.55 0.00 1.06 1.46 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.57 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.95 0.21 7.81 95 K 9.52 4.03 0.00 1.51 1.60 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.59 7.81 96 S 7.93 4.21 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00