NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3895 8.3049 120.3310 54.8236 33.4291 175.2980 2 K 3.7346 8.6354 122.5419 58.6697 32.2714 176.2062 3 A 3.9628 8.4826 121.3639 51.7340 19.9881 176.4114 4 I 4.0137 7.8339 119.9400 60.2884 38.1221 176.5868 5 F 4.2306 8.5488 123.0871 57.4293 40.0170 178.1554 6 V 4.0657 8.1538 125.0933 60.8333 31.2233 175.4928 7 L 4.0745 8.5662 121.4662 55.5591 42.7283 176.5152 8 N 5.0622 8.4900 121.1352 51.6076 41.6874 174.3087 9 A 4.6024 8.3531 122.1665 52.4863 18.9381 179.5321 10 Q 4.0089 7.6098 117.9754 60.1602 28.4690 177.3427 11 H 4.0035 7.8102 115.6604 58.6576 30.2533 174.6477 12 D 4.5658 7.7409 112.3697 53.7847 45.6051 175.2156 13 E 4.2467 8.5293 116.5539 56.7716 29.3729 178.8983 14 A 3.9130 7.6492 124.3765 54.5346 17.7559 178.8925 15 V 3.9823 7.5821 115.9438 61.9003 31.1046 175.8607 16 D 4.5424 8.5629 127.4335 56.3471 41.2400 177.7225 17 A 3.9592 7.9189 121.2967 55.1704 18.4556 178.7976 18 N 4.2576 8.1532 115.2810 56.8424 39.0467 177.0598 19 S 4.1400 7.5673 112.5226 61.3249 63.1417 176.4169 20 L 3.9268 8.2354 122.7344 57.3779 41.3759 179.3139 21 A 3.9639 8.0349 120.5352 55.2524 18.3221 179.2922 22 E 3.8656 8.2767 117.5589 59.3022 29.7041 178.7811 23 A 3.9546 8.4561 121.2384 55.2218 18.3663 179.8464 24 K 3.9535 8.1881 116.9810 59.4109 32.2326 179.8869 25 V 3.5484 8.2048 119.0055 66.0228 31.2717 178.1459 26 L 3.9745 8.4093 117.7007 57.7117 41.6081 179.0851 27 A 4.1100 8.1494 120.8159 55.0626 18.3315 179.1216 28 N 4.2131 8.4193 115.8450 56.9065 38.8909 177.2376 29 R 3.8568 7.8495 119.1298 59.2708 30.1422 178.7947 30 E 3.4226 7.7529 118.4261 59.1652 29.4063 179.4958 31 L 3.8119 7.4771 118.4411 57.6214 41.5564 178.7622 32 D 4.2796 7.7270 116.9066 57.3502 41.2175 178.2264 33 K 4.0866 7.7039 118.0203 59.6486 32.0834 178.7309 34 Y 4.5523 7.0717 116.2903 59.1839 37.9159 177.0132 35 G 3.8654 8.6959 107.0571 45.8086 0.0000 173.6895 36 V 3.9542 7.5429 119.2343 61.4144 32.4899 175.0141 37 S 4.4363 8.5608 115.1978 57.9191 62.8919 174.3269 38 D 4.5061 8.7333 124.1605 56.8448 40.8665 177.9058 39 Y 3.9030 7.7945 120.4275 61.1466 38.8032 177.5314 40 Y 4.0369 7.8506 116.7694 61.0062 38.0702 178.8664 41 K 4.0066 8.1299 118.8720 59.5909 32.0248 178.9142 42 N 4.2466 7.9784 115.6463 56.1653 38.7115 176.7995 43 L 3.8480 7.7855 122.0753 58.1294 42.1150 179.0706 44 I 3.6958 7.6925 119.7389 64.4119 36.8059 177.7183 45 N 4.4189 7.6803 116.4265 56.2955 38.7410 175.3288 46 N 4.7422 7.7250 115.3094 52.0534 39.2870 174.4410 47 A 3.9819 7.8163 123.3996 53.0631 18.7476 177.7479 48 K 4.0863 8.7573 125.0189 59.2189 32.7992 177.0939 49 T 4.7273 7.3986 110.3951 59.1595 72.0213 174.3378 50 V 3.5860 8.2604 123.3217 66.0024 31.5579 177.4761 51 E 4.0198 8.3892 118.7713 59.5907 29.2556 179.0826 52 G 3.6321 8.0322 105.0070 47.3850 0.0000 175.8306 53 V 3.6132 7.5220 120.4546 65.8198 31.6447 178.3492 54 K 4.0030 8.2333 118.4475 59.9821 32.5336 179.0235 55 A 4.1066 8.0519 122.1097 54.6420 18.2655 179.4150 56 L 4.1791 8.3627 119.4405 58.3777 42.1130 179.3209 57 I 3.8131 7.8423 119.9339 64.2799 37.0673 177.9191 58 D 4.2828 8.7132 119.6487 57.2220 41.0027 178.1475 59 E 4.0686 8.7703 118.6689 59.4754 29.1620 179.2577 60 I 3.7110 7.8656 120.8314 64.0374 36.9433 178.4353 61 L 3.9186 8.3707 119.2154 57.7042 41.5254 179.1547 62 A 4.0889 8.2675 120.0077 54.7893 18.3289 179.1355 63 A 4.0417 7.8921 119.0736 54.4155 18.8484 178.5423 64 L 4.0846 6.8398 115.4736 53.7046 42.3941 175.5251 65 P 4.3872 0.0000 0.0000 63.2243 31.0952 176.1680 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 M 8.30 4.39 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 2 K 8.64 3.73 0.00 1.82 1.82 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 A 8.48 3.96 1.14 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 0.00 0.00 4 I 7.83 4.01 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.98 0.00 0.00 5 F 8.55 4.23 0.00 3.19 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 6 V 8.15 4.07 2.11 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 0.82 0.00 0.00 0.95 0.00 0.00 7 L 8.57 4.07 0.00 1.64 1.64 0.93 0.84 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 8 N 8.49 5.06 0.00 2.77 2.61 0.00 0.00 7.03 7.65 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 9 A 8.35 4.60 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 4.01 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 11 H 7.81 4.00 0.00 3.07 3.33 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.74 4.57 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.53 4.25 0.00 2.02 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 0.00 2.37 2.29 0.00 14 A 7.65 3.91 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 15 V 7.58 3.98 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 0.91 0.00 0.00 0.94 0.00 0.00 16 D 8.56 4.54 0.00 2.75 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 17 A 7.92 3.96 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 18 N 8.15 4.26 0.00 2.76 2.82 0.00 0.00 6.92 7.63 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 19 S 7.57 4.14 0.00 4.09 4.10 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 20 L 8.24 3.93 0.00 1.84 1.75 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.03 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.28 3.87 0.00 2.12 1.95 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 2.30 2.32 0.00 23 A 8.46 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.95 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 25 V 8.20 3.55 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 0.97 0.00 0.00 0.97 0.00 0.00 26 L 8.41 3.97 0.00 1.66 1.70 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.15 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.21 0.00 2.83 2.93 0.00 0.00 7.20 8.38 0.00 0.00 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 R 7.85 3.86 0.00 2.02 1.89 0.00 3.30 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 30 E 7.75 3.42 0.00 2.02 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 2.31 2.29 0.00 31 L 7.48 3.81 0.00 1.76 1.72 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.73 4.28 0.00 2.62 2.76 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 33 K 7.70 4.09 0.00 1.54 1.84 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.52 7.81 34 Y 7.07 4.55 0.00 3.06 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 35 G 8.70 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 36 V 7.54 3.95 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 0.50 0.00 0.00 1.08 0.00 0.00 37 S 8.56 4.44 0.00 4.08 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 38 D 8.73 4.51 0.00 2.79 2.70 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 0.00 0.00 0.00 0.00 39 Y 7.79 3.90 0.00 2.98 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 40 Y 7.85 4.04 0.00 3.17 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 41 K 8.13 4.01 0.00 2.16 1.85 0.00 1.84 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.60 7.81 42 N 7.98 4.25 0.00 2.55 2.69 0.00 0.00 6.97 7.40 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 43 L 7.79 3.85 0.00 1.24 1.73 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.69 3.70 2.01 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 1.69 0.70 0.91 0.00 0.00 45 N 7.68 4.42 0.00 2.68 2.95 0.00 0.00 7.12 7.38 0.00 0.00 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 7.72 4.74 0.00 2.69 2.84 0.00 0.00 7.14 7.50 0.00 0.00 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 7.82 3.98 1.31 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 48 K 8.76 4.09 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 49 T 7.40 4.73 4.24 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 1.27 0.00 0.00 50 V 8.26 3.59 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 0.93 0.00 0.00 0.93 0.00 0.00 51 E 8.39 4.02 0.00 2.07 1.95 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 2.39 2.40 0.00 52 G 8.03 3.63 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 0.00 0.00 0.00 53 V 7.52 3.61 2.26 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 1.00 0.00 0.00 1.01 0.00 0.00 54 K 8.23 4.00 0.00 2.04 2.06 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.46 7.81 55 A 8.05 4.11 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.36 4.18 0.00 1.83 1.76 1.05 1.01 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 57 I 7.84 3.81 1.90 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 1.63 0.98 1.05 0.00 0.00 58 D 8.71 4.28 0.00 2.74 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 59 E 8.77 4.07 0.00 2.20 2.31 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 2.54 2.39 0.00 60 I 7.87 3.71 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.69 0.00 0.00 61 L 8.37 3.92 0.00 1.65 1.67 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.27 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.04 1.39 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 0.00 0.00 0.00 64 L 6.84 4.08 0.00 1.71 1.54 0.77 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.39 0.00 2.15 2.02 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00