NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1857 8.2993 120.1342 55.6673 33.3823 175.7075 2 P 4.1685 0.0000 0.0000 61.2011 30.3390 170.4913 3 V 4.1197 8.8534 126.0457 61.6234 32.3733 176.6208 4 S 4.5704 8.0922 124.9523 56.7753 61.8946 174.8055 5 L 4.3083 7.4660 125.0436 52.4958 40.4818 175.4445 6 S 4.3803 7.2364 114.2466 57.3126 66.5960 173.7826 7 Y 4.3524 8.7454 124.6634 56.9487 37.4273 175.4390 8 R 4.7290 8.3920 119.0137 55.4313 31.1988 175.8431 9 C 5.0154 7.8548 115.4213 54.9481 44.2917 172.1076 10 P 4.3466 0.0000 0.0000 65.9364 31.4111 177.5901 11 C 4.3668 7.9329 121.0142 55.4072 39.7095 173.3770 12 R 3.6762 8.2804 125.3920 56.6223 30.3684 176.1125 13 F 4.8106 7.5097 115.0127 55.4488 41.6196 174.5993 14 F 5.1271 8.5200 121.1358 55.7389 42.8165 173.7284 15 E 4.6126 9.6110 126.1529 54.5533 30.8390 176.4708 16 S 4.5628 8.4678 119.6830 59.4730 63.9632 174.7601 17 H 4.8704 7.9758 117.3138 56.0570 28.6899 175.1423 18 V 3.8594 7.5645 119.5948 62.4799 32.0348 174.9361 19 A 4.4482 8.3654 129.6697 49.9068 21.1557 177.3060 20 R 3.0181 6.9397 122.7941 58.7971 30.1756 178.5089 21 A 3.8465 7.4759 119.5103 54.2327 18.6887 177.2269 22 N 4.5883 7.9721 112.9933 53.4458 39.6881 174.4090 23 V 4.2384 7.1697 118.1405 63.1629 32.0015 175.3522 24 K 4.2142 9.3853 130.0604 59.0673 32.6149 176.9423 25 R 4.9620 7.8308 119.1313 54.6959 33.6679 173.1830 26 L 5.8900 8.4801 123.8305 53.5420 44.3498 175.2552 27 K 4.6163 8.4529 119.5194 55.2617 35.9618 174.4188 28 I 4.5970 8.4097 127.9047 59.7929 38.6886 174.9452 29 L 4.3517 9.3208 131.5552 53.8388 43.1034 175.4986 30 N 5.1487 8.7660 125.8402 52.4787 38.5348 174.1828 31 T 4.4845 8.8029 115.7729 59.5723 69.9654 174.6330 32 P 4.3372 0.0000 0.0000 65.1950 31.7680 177.3523 33 N 4.4708 8.1633 115.8968 54.5686 37.4970 174.9210 34 C 4.6929 7.1064 114.8814 54.9801 47.2177 176.8220 35 A 4.1391 6.7237 123.1807 52.7043 24.8350 175.1189 36 L 4.7923 8.6569 116.5985 54.5891 42.7559 176.5431 37 Q 5.0429 9.1435 123.7559 54.2228 31.4301 174.9899 38 I 5.7679 8.6116 123.4030 58.7193 41.5855 174.7349 39 V 5.0110 8.3613 116.2002 59.5725 35.8148 174.3492 40 A 5.1933 9.4553 126.3889 50.2255 21.9006 174.6864 41 R 4.9811 8.6440 123.8614 54.6596 32.1443 175.6013 42 L 4.5971 9.0110 127.5054 54.8079 42.3708 178.4527 43 K 3.9210 9.3181 123.5535 59.6812 32.0646 178.1937 44 N 4.4845 8.0301 115.9416 56.0150 39.3003 175.8228 45 N 4.3096 8.0657 116.0379 54.4464 39.2921 175.4783 46 N 4.5321 8.0435 113.7960 53.7842 38.6371 173.3336 47 R 4.7246 7.3814 114.3147 55.0638 33.0360 174.6494 48 Q 5.1679 8.5597 122.7628 54.7435 30.9656 175.0623 49 V 4.6249 8.8861 119.0987 59.3646 36.1325 174.4238 50 C 4.9590 8.8395 121.7080 57.5715 41.1624 172.6785 51 I 4.9781 8.5413 125.1188 59.8282 38.2768 175.2541 52 D 4.1489 8.8034 126.6447 53.6358 41.4345 175.5254 53 P 4.1243 0.0000 0.0000 64.6581 31.7128 177.0663 54 K 4.1104 7.4044 116.8182 56.9304 33.1881 177.6411 55 L 3.8754 7.3173 121.2560 55.0942 42.6406 177.7737 56 K 3.9286 8.6707 124.7499 59.3011 32.3537 178.9257 57 W 4.3456 8.0688 116.6143 59.3531 28.1063 178.3347 58 I 3.1017 6.6840 120.4363 64.1383 36.0492 178.2422 59 Q 4.0367 7.6625 118.2288 58.9748 28.3326 177.5949 60 E 4.1420 8.1843 119.9708 58.0806 29.8857 176.4861 61 Y 4.6918 7.7351 117.9224 59.8138 40.1123 177.1992 62 L 3.6231 8.6412 121.5231 57.3017 42.2757 178.2694 63 E 4.2741 7.9014 116.7333 56.9480 29.9665 177.4699 64 K 4.1965 8.0168 117.3801 56.9937 33.3131 177.0701 65 A 4.4234 7.8941 120.0391 53.6423 19.8730 178.1960 66 L 4.0175 7.4465 115.5566 57.3863 42.3700 177.7897 67 N 4.3154 7.9872 115.2251 55.6010 39.3601 174.5943 68 K 4.1908 7.8031 122.2586 56.8853 33.8074 174.3590 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 1 K 8.30 4.19 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 P 0.00 4.17 0.00 2.22 2.09 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 3 V 8.85 4.12 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 0.93 0.00 0.00 0.98 0.00 0.00 4 S 8.09 4.57 0.00 3.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.47 4.31 0.00 1.62 1.65 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.24 4.38 0.00 3.73 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 7 Y 8.75 4.35 0.00 2.93 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 8 R 8.39 4.73 0.00 1.87 1.97 0.00 3.12 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 9 C 7.85 5.02 0.00 2.86 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 10 P 0.00 4.35 0.00 2.21 2.22 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 11 C 7.93 4.37 0.00 2.75 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 12 R 8.28 3.68 0.00 1.50 1.52 0.00 2.69 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.28 0.00 13 F 7.51 4.81 0.00 2.90 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 14 F 8.52 5.13 0.00 3.01 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 15 E 9.61 4.61 0.00 1.98 1.86 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 2.33 2.11 0.00 16 S 8.47 4.56 0.00 4.09 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 17 H 7.98 4.87 0.00 3.41 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.56 3.86 2.42 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 1.12 0.00 0.00 1.12 0.00 0.00 19 A 8.37 4.45 1.13 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 0.00 0.00 20 R 6.94 3.02 0.00 0.67 1.00 0.00 2.21 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 21 A 7.48 3.85 1.13 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 0.00 0.00 22 N 7.97 4.59 0.00 2.74 2.87 0.00 0.00 6.70 7.43 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 23 V 7.17 4.24 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 0.98 0.00 0.00 1.15 0.00 0.00 24 K 9.39 4.21 0.00 1.81 1.94 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.40 7.81 25 R 7.83 4.96 0.00 1.92 1.72 0.00 3.21 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 26 L 8.48 5.89 0.00 1.93 1.72 1.17 0.82 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 27 K 8.45 4.62 0.00 1.88 1.66 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 28 I 8.41 4.60 1.85 0.00 0.00 0.79 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 0.71 0.96 0.00 0.00 29 L 9.32 4.35 0.00 1.75 1.71 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.77 5.15 0.00 2.62 2.77 0.00 0.00 7.12 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.80 4.48 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 P 0.00 4.34 0.00 2.20 2.23 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 33 N 8.16 4.47 0.00 2.87 3.00 0.00 0.00 5.99 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 34 C 7.11 4.69 0.00 3.21 2.92 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 35 A 6.72 4.14 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 36 L 8.66 4.79 0.00 1.43 1.57 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.14 5.04 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 38 I 8.61 5.77 2.10 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.42 0.93 0.00 0.00 39 V 8.36 5.01 2.13 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 0.95 0.00 0.00 1.04 0.00 0.00 40 A 9.46 5.19 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 41 R 8.64 4.98 0.00 1.95 1.84 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 42 L 9.01 4.60 0.00 1.75 1.58 0.94 0.61 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 43 K 9.32 3.92 0.00 1.58 1.86 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.55 7.81 44 N 8.03 4.48 0.00 2.70 2.82 0.00 0.00 7.22 7.67 0.00 0.00 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 N 8.07 4.31 0.00 2.85 2.80 0.00 0.00 6.81 6.72 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 46 N 8.04 4.53 0.00 2.92 2.91 0.00 0.00 7.10 7.67 0.00 0.00 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 7.38 4.72 0.00 1.85 1.80 0.00 3.14 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 48 Q 8.56 5.17 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 49 V 8.89 4.62 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 0.75 0.00 0.00 1.00 0.00 0.00 50 C 8.84 4.96 0.00 3.00 3.04 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 51 I 8.54 4.98 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.92 0.00 0.00 52 D 8.80 4.15 0.00 2.77 2.49 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 53 P 0.00 4.12 0.00 2.00 1.92 0.00 3.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 54 K 7.40 4.11 0.00 1.72 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.28 7.81 55 L 7.32 3.88 0.00 1.20 1.19 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.67 3.93 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.52 1.47 7.81 57 W 8.07 4.35 0.00 3.57 3.31 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 58 I 6.68 3.10 1.54 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 0.65 0.00 0.00 59 Q 7.66 4.04 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.33 0.00 60 E 8.18 4.14 0.00 2.11 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 2.43 2.37 0.00 61 Y 7.74 4.69 0.00 3.30 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.64 3.62 0.00 1.79 1.58 0.86 0.81 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 63 E 7.90 4.27 0.00 2.20 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 2.20 2.38 0.00 64 K 8.02 4.20 0.00 1.72 2.04 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.56 7.81 65 A 7.89 4.42 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 66 L 7.45 4.02 0.00 1.64 1.62 0.84 0.33 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 67 N 7.99 4.32 0.00 2.82 2.95 0.00 0.00 7.63 6.01 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 68 K 7.80 4.19 0.00 2.00 1.70 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81