NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 G 3.8013 8.3544 109.7034 45.3203 0.0000 171.9593 44 E 4.5970 8.8151 121.7627 53.2669 32.3462 171.2747 45 V 3.5530 8.7274 128.1860 63.2828 32.0265 174.6240 46 E 4.3068 8.8575 130.4087 58.7450 29.9660 175.6673 47 Y 4.8129 6.8563 114.9179 56.1255 41.4721 172.5506 48 L 4.7301 8.4391 119.7486 53.6856 42.7603 176.3709 49 C 4.8722 8.3945 119.6141 60.4674 30.8811 173.1500 50 D 4.8685 7.3625 115.9718 53.9745 44.2874 173.3337 51 Y 5.3791 8.7940 121.4283 56.3737 42.3883 173.8160 52 K 4.2306 7.8730 123.8625 54.9661 36.3435 174.0425 53 K 4.7880 8.3165 127.7832 54.5676 34.5711 174.9922 54 I 4.4961 8.6100 128.2691 60.4865 40.5637 175.6280 55 R 3.6578 8.1811 124.8396 57.9451 28.8701 177.0566 56 E 4.3827 8.9546 125.9739 57.0052 29.7258 174.7691 57 Q 4.1783 8.1804 122.6036 54.7448 30.0049 173.9758 58 E 4.7036 8.2553 124.7304 55.3189 31.8624 174.7044 59 Y 5.4671 8.8677 120.5191 56.4989 42.4928 174.0585 60 Y 5.1552 9.4398 119.5862 56.0805 42.2480 174.4216 61 L 3.7389 8.0594 126.0931 53.9649 43.2362 175.2786 62 V 4.0123 8.2876 127.3614 60.6863 33.8167 174.1225 63 K 4.1892 8.0476 129.8748 54.2580 33.4224 175.4374 64 W 4.9013 8.4015 127.6311 55.4377 30.9945 176.0346 65 R 4.1047 9.1466 125.4026 57.9380 29.7876 176.7946 66 G 3.8876 9.2393 112.9807 45.6270 0.0000 172.1308 67 Y 4.6846 7.6608 115.9551 54.7824 40.9270 173.8519 68 P 4.5918 0.0000 0.0000 62.3852 32.5712 176.9563 69 D 4.3784 8.8965 117.6709 57.6873 40.5727 179.3878 70 S 4.1887 8.2511 113.0501 60.8367 63.0846 174.8975 71 E 4.6033 7.7657 116.6756 55.7575 29.4174 181.4196 72 S 4.6852 8.3054 117.9187 59.7646 63.8939 173.6087 73 T 4.7376 8.4485 114.0569 59.4858 72.1858 173.1741 74 W 4.9267 8.8174 122.5163 56.7028 30.2963 175.7032 75 E 5.0442 9.7391 122.5701 53.9622 33.7288 173.6398 76 P 4.7903 0.0000 0.0000 62.3249 32.5281 177.3159 77 R 4.0702 8.8358 122.9212 59.8848 30.0537 178.7553 78 Q 4.1794 8.0430 114.5912 58.3707 28.8060 177.0685 79 N 4.6012 8.2420 114.5934 54.5407 38.8999 174.9168 80 L 4.7580 7.9195 120.7621 53.4939 43.7135 177.0770 81 K 4.5096 8.4496 122.3214 54.6047 33.8556 176.2366 82 C 4.6001 7.6483 115.2221 58.7133 25.7336 174.2777 83 V 3.6311 7.5731 127.2159 65.4341 31.5769 178.8637 84 R 3.9261 7.8208 118.2213 59.3110 30.1372 178.6335 85 I 3.7318 7.7820 119.0301 64.5423 37.0535 178.3297 86 L 3.9034 7.8753 119.7722 57.4460 41.3558 179.5026 87 K 3.9805 7.8173 119.4509 59.4327 32.1160 178.5821 88 Q 3.9144 8.1503 119.8228 59.2358 29.0259 177.7872 89 F 4.0533 8.3194 121.6272 62.0592 39.4645 176.9639 90 H 4.0162 8.3439 115.3695 58.5062 28.4076 178.0378 91 K 3.9878 8.4895 120.9909 59.3893 31.7716 179.1422 92 D 4.2382 8.2722 119.5706 57.0349 40.7254 178.4372 93 L 3.6846 7.5061 120.7566 58.0197 42.0513 178.5880 94 E 3.8330 7.7980 118.6182 59.3532 29.3978 178.5969 95 R 3.8395 7.7887 117.2862 59.4044 30.3469 177.6017 96 E 4.0170 8.3414 119.2208 59.1255 29.6080 178.3473 97 L 3.9056 7.8688 120.1974 58.4033 42.0038 178.9374 98 L 4.1577 7.8687 116.1613 56.4775 41.6216 178.2303 99 R 4.3577 7.3431 116.8667 56.5231 30.7510 175.6339 100 R 4.0443 7.7009 123.0890 56.8599 30.0505 175.7432 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 43 G 8.35 3.80 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 0.00 0.00 0.00 44 E 8.82 4.60 0.00 2.21 1.92 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 2.31 2.43 0.00 45 V 8.73 3.55 1.94 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 0.51 0.00 0.00 0.57 0.00 0.00 46 E 8.86 4.31 0.00 2.01 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 2.45 2.30 0.00 47 Y 6.86 4.81 0.00 3.01 2.96 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 48 L 8.44 4.73 0.00 1.03 0.88 0.57 0.48 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 49 C 8.39 4.87 0.00 2.64 2.95 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 0.00 0.00 0.00 0.00 50 D 7.36 4.87 0.00 2.66 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 0.00 0.00 0.00 0.00 51 Y 8.79 5.38 0.00 3.24 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 52 K 7.87 4.23 0.00 1.49 1.23 0.00 1.10 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.17 7.81 53 K 8.32 4.79 0.00 1.62 1.59 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 54 I 8.61 4.50 2.03 0.00 0.00 0.64 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 0.59 0.90 0.00 0.00 55 R 8.18 3.66 0.00 1.94 1.10 0.00 3.19 0.00 0.00 3.23 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 56 E 8.95 4.38 0.00 1.93 1.96 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 2.24 2.22 0.00 57 Q 8.18 4.18 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.00 1.16 0.00 58 E 8.26 4.70 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 59 Y 8.87 5.47 0.00 2.70 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 60 Y 9.44 5.16 0.00 2.81 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 L 8.06 3.74 0.00 0.27 0.82 0.24 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.29 4.01 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 -1.07 0.00 0.00 0.57 0.00 0.00 63 K 8.05 4.19 0.00 1.41 0.74 0.00 1.42 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.87 7.81 64 W 8.40 4.90 0.00 3.29 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 65 R 9.15 4.10 0.00 1.78 1.98 0.00 3.69 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 66 G 9.24 3.89 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 0.00 0.00 0.00 67 Y 7.66 4.68 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.26 2.25 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 69 D 8.90 4.38 0.00 2.76 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 70 S 8.25 4.19 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.77 4.60 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 72 S 8.31 4.69 0.00 3.76 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 73 T 8.45 4.74 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 74 W 8.82 4.93 0.00 3.16 3.13 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 75 E 9.74 5.04 0.00 1.94 1.96 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 2.46 2.72 0.00 76 P 0.00 4.79 0.00 2.25 2.00 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 77 R 8.84 4.07 0.00 2.29 2.05 0.00 3.48 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 78 Q 8.04 4.18 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 79 N 8.24 4.60 0.00 3.07 3.01 0.00 0.00 6.83 7.49 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 80 L 7.92 4.76 0.00 1.54 1.46 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.45 4.51 0.00 1.74 1.67 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.95 7.81 82 C 7.65 4.60 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 83 V 7.57 3.63 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 0.96 0.00 0.00 0.93 0.00 0.00 84 R 7.82 3.93 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 85 I 7.78 3.73 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.57 0.87 0.00 0.00 86 L 7.88 3.90 0.00 1.81 1.67 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.82 3.98 0.00 2.03 1.94 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 88 Q 8.15 3.91 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 89 F 8.32 4.05 0.00 3.21 3.26 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 0.00 90 H 8.34 4.02 0.00 3.35 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.49 3.99 0.00 1.70 1.82 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.61 7.81 92 D 8.27 4.24 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.68 0.00 1.39 1.51 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.80 3.83 0.00 2.06 2.01 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 2.27 2.29 0.00 95 R 7.79 3.84 0.00 1.87 2.03 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 96 E 8.34 4.02 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 97 L 7.87 3.91 0.00 1.90 1.81 0.92 0.45 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 98 L 7.87 4.16 0.00 1.65 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.34 4.36 0.00 2.06 2.00 0.00 3.25 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 100 R 7.70 4.04 0.00 2.08 1.83 0.00 3.39 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00