NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.3558 8.4449 120.2267 56.1163 31.3609 176.3574 22 D 4.3517 8.2554 121.3878 55.5135 41.3359 175.1948 23 L 4.8088 7.5183 116.9336 52.8943 45.1238 174.7004 24 Q 4.7724 7.9340 116.9535 53.4872 31.9066 175.0363 25 C 4.5219 8.5562 115.1828 57.2640 40.6605 174.5388 26 V 3.6530 8.4061 116.1875 63.0416 31.9448 177.0230 27 C 4.5375 8.2814 117.2165 56.2729 39.2613 173.4113 28 L 4.2734 8.4825 124.7842 56.3795 41.9818 177.7204 29 K 4.6425 7.7297 115.4971 54.6165 35.3555 175.7437 30 T 4.7291 8.2318 111.6617 60.4478 71.0710 173.7257 31 T 4.7560 8.2248 117.5268 62.1480 71.7965 174.5269 32 S 4.6376 8.7185 117.4292 57.9303 65.6057 174.7825 33 G 4.1592 7.9795 109.8317 44.1745 0.0000 172.8248 34 I 4.5382 7.1883 111.2848 58.8745 41.0030 175.4352 35 N 4.5959 8.6022 120.9835 51.9669 39.1431 174.0029 36 P 3.7349 0.0000 0.0000 65.5494 31.5603 178.0174 37 R 4.0348 7.7216 114.6530 57.5837 29.9242 176.6080 38 H 4.7154 8.7079 116.0802 56.4429 29.5661 175.0770 39 I 4.2844 7.1302 121.7454 61.1415 37.2350 175.7062 40 S 4.8246 8.9375 120.4581 59.0249 64.6898 174.1156 41 S 4.7202 7.6505 113.4056 57.3991 65.9900 173.1764 42 L 5.2359 8.3471 121.7751 53.4287 45.4231 174.7565 43 E 4.6667 9.2996 126.3007 54.3386 32.6258 174.2901 44 V 4.6587 8.5041 126.6692 61.2746 33.5456 174.4806 45 I 4.4718 8.5905 129.2187 59.3132 39.5950 175.9754 46 G 4.1688 8.7600 114.0905 45.5227 0.0000 172.6113 47 A 4.4065 8.6272 122.5197 51.1831 19.5689 177.6176 48 G 3.8741 7.9651 103.8379 46.2657 0.0000 172.9518 49 L 3.9850 8.7217 119.0797 58.2573 41.9522 178.5381 50 H 4.3401 8.2123 113.4933 58.3444 29.1073 175.8459 51 C 4.5906 7.3305 118.4872 54.8329 46.7155 172.3270 52 P 4.3054 0.0000 0.0000 64.1189 31.2950 175.9218 53 S 4.8562 7.4253 114.2003 55.9571 66.3806 172.0899 54 P 4.7314 0.0000 0.0000 62.9981 32.2891 175.7739 55 Q 4.5130 8.9373 119.2262 54.3504 33.5553 174.4200 56 L 4.9428 8.5658 122.6760 53.2785 44.2748 175.0239 57 I 4.8360 8.4286 125.6922 59.5057 39.2650 174.9364 58 A 5.1241 9.1052 129.5810 50.5788 21.9668 175.3490 59 T 4.8779 8.4281 117.5584 61.8457 70.9845 174.8115 60 L 4.7327 9.0043 127.2186 53.7949 43.1302 178.3888 61 K 4.0890 9.9371 120.2548 59.2872 31.9442 178.6237 62 T 4.1075 7.8307 107.0988 61.9734 69.2227 175.5944 63 G 3.9405 8.0572 111.4340 45.0246 0.0000 173.6962 64 R 4.2423 7.6271 121.1232 55.9926 31.2855 175.3021 65 K 5.2793 8.5598 124.7730 55.1085 34.4449 175.4911 66 I 4.7346 8.4760 115.4125 59.8830 41.7808 172.7616 67 C 5.4009 8.7240 119.9175 55.4469 42.6031 173.1524 68 L 4.9418 8.5403 123.1265 53.3369 43.4838 175.5615 69 D 4.6839 8.5018 121.1751 53.1576 42.0405 176.6379 70 Q 3.8687 8.5921 124.4511 58.1109 29.2516 175.9798 71 Q 4.6758 7.7111 117.8467 55.1804 29.3194 174.9267 72 N 4.9919 8.0002 114.2221 52.0902 42.3353 171.5647 73 P 4.5140 0.0000 0.0000 62.6290 32.1984 177.1370 74 L 3.9758 9.5784 124.8459 58.7614 41.7765 178.6191 75 Y 4.2519 8.0464 117.2748 59.7797 37.9609 178.3191 76 K 3.5004 6.9997 120.0769 58.9376 32.0526 179.1589 77 K 3.8616 7.7776 119.3604 59.4391 32.1585 178.6296 78 I 3.6730 7.5674 119.5600 64.5155 36.9468 178.1882 79 I 3.7237 7.8741 120.5791 64.7021 36.7784 178.6287 80 K 3.9784 7.7760 117.6245 59.2241 32.2028 179.2791 81 R 4.0088 8.0873 119.1256 59.5426 29.9417 178.6522 82 L 4.0910 8.1301 117.3911 57.1696 41.6494 178.5790 83 L 4.3355 7.4112 116.7731 54.1894 42.3441 177.0155 84 K 4.3007 7.3824 118.9310 55.9802 32.9624 177.2285 85 S 4.3403 8.4474 117.0381 58.7817 63.3477 174.1041 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 21 E 8.44 4.36 0.00 1.97 2.04 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 2.21 2.34 0.00 22 D 8.26 4.35 0.00 2.75 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 23 L 7.52 4.81 0.00 1.61 1.58 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.93 4.77 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 25 C 8.56 4.52 0.00 2.98 3.06 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 0.00 0.00 0.00 26 V 8.41 3.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 27 C 8.28 4.54 0.00 3.11 3.06 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 0.00 0.00 0.00 28 L 8.48 4.27 0.00 1.63 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.73 4.64 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.38 7.81 30 T 8.23 4.73 4.30 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 1.23 0.00 0.00 31 T 8.22 4.76 4.26 0.00 0.00 0.00 0.00 0.00 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 32 S 8.72 4.64 0.00 3.81 3.84 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 33 G 7.98 4.16 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 0.00 34 I 7.19 4.54 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.94 0.00 0.00 35 N 8.60 4.60 0.00 2.80 2.12 0.00 0.00 7.05 7.71 0.00 0.00 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 P 0.00 3.73 0.00 2.18 2.09 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 37 R 7.72 4.03 0.00 1.66 1.93 0.00 3.16 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 38 H 8.71 4.72 0.00 3.24 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.13 4.28 1.88 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 1.37 0.82 0.93 0.00 0.00 40 S 8.94 4.82 0.00 3.81 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 41 S 7.65 4.72 0.00 3.88 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 42 L 8.35 5.24 0.00 1.62 1.53 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.30 4.67 0.00 2.02 1.87 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 2.17 2.20 0.00 44 V 8.50 4.66 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 0.82 0.00 0.00 0.92 0.00 0.00 45 I 8.59 4.47 1.88 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 1.14 0.76 0.90 0.00 0.00 46 G 8.76 4.17 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 0.00 47 A 8.63 4.41 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 3.87 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 0.00 0.00 0.00 49 L 8.72 3.98 0.00 1.67 1.77 0.93 1.01 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 50 H 8.21 4.34 0.00 3.32 3.57 0.00 5.49 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.33 4.59 0.00 2.88 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 52 P 0.00 4.31 0.00 2.19 2.12 0.00 3.72 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 1.96 1.96 0.00 53 S 7.43 4.86 0.00 3.70 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 54 P 0.00 4.73 0.00 1.87 1.94 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 55 Q 8.94 4.51 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 56 L 8.57 4.94 0.00 1.49 1.51 0.36 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.43 4.84 1.87 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 1.15 0.79 0.91 0.00 0.00 58 A 9.11 5.12 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 59 T 8.43 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 1.22 0.00 0.00 60 L 9.00 4.73 0.00 1.56 1.71 0.93 0.66 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 61 K 9.94 4.09 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.45 7.81 62 T 7.83 4.11 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 63 G 8.06 3.94 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 0.00 64 R 7.63 4.24 0.00 1.86 1.80 0.00 3.07 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 65 K 8.56 5.28 0.00 1.67 1.70 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.41 7.81 66 I 8.48 4.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.15 0.92 0.00 0.00 67 C 8.72 5.40 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 4.94 0.00 1.52 1.65 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.50 4.68 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 70 Q 8.59 3.87 0.00 1.73 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.38 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 71 Q 7.71 4.68 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 72 N 8.00 4.99 0.00 2.67 2.83 0.00 0.00 7.19 7.69 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 73 P 0.00 4.51 0.00 2.15 2.18 0.00 3.77 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 1.98 1.92 0.00 74 L 9.58 3.98 0.00 1.76 1.77 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.05 4.25 0.00 3.27 3.23 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 76 K 7.00 3.50 0.00 1.71 1.64 0.00 1.48 0.00 0.00 1.34 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.89 7.81 77 K 7.78 3.86 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 78 I 7.57 3.67 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.46 0.95 0.00 0.00 79 I 7.87 3.72 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.93 0.00 0.00 80 K 7.78 3.98 0.00 1.91 1.85 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 81 R 8.09 4.01 0.00 2.10 2.00 0.00 3.43 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 82 L 8.13 4.09 0.00 1.76 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.41 4.34 0.00 1.56 1.71 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.38 4.30 0.00 1.94 1.73 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.63 7.81 85 S 8.45 4.34 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00