NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4912 8.3049 120.3502 55.7704 32.6282 175.1667 2 L 4.6297 8.0562 125.1050 53.5264 43.8381 176.6292 3 T 4.0633 8.3322 111.0507 63.3745 70.3354 176.0658 4 R 3.6068 7.9360 122.5771 59.4651 29.8001 176.7132 5 F 3.4161 7.4507 113.4841 56.6472 38.8091 175.2757 6 L 4.5747 7.3568 123.7948 54.1670 42.7451 175.7755 7 G 4.1352 8.3439 114.7203 43.6890 0.0000 170.8365 8 P 4.2827 0.0000 0.0000 65.6283 31.0130 179.1225 9 R 3.8219 7.7970 116.9757 59.6434 30.1200 178.0627 10 Y 4.3844 7.7007 116.0052 60.8291 38.0317 178.1164 11 R 3.9936 8.2323 120.0706 59.5233 30.2037 178.6700 12 Q 4.0360 8.0828 117.5563 58.9369 28.5176 178.5814 13 L 4.1202 8.2736 119.2693 57.6615 41.8052 179.1700 14 A 4.3015 8.3834 120.8563 55.2685 18.5377 179.5617 15 R 3.8806 7.9551 116.7929 59.7678 29.8475 178.5092 16 N 4.3034 8.0817 115.4319 55.6422 38.7932 176.5790 17 W 4.7200 7.8442 118.1624 57.0096 29.3501 178.6439 18 V 3.6571 7.4608 119.0770 65.7280 31.1020 175.9410 19 P 4.5042 0.0000 0.0000 65.2206 31.0405 178.7404 20 T 3.9014 7.9963 113.6592 66.7902 68.6448 176.5363 21 A 4.2568 8.5559 123.0364 54.9586 18.2450 179.8702 22 S 4.1088 8.4972 113.2707 61.8777 63.1247 176.9062 23 L 3.9619 8.0872 123.1365 56.9412 41.3551 179.5669 24 W 4.5874 8.5825 119.3899 59.3270 28.8097 178.9696 25 G 3.6308 8.2363 105.4188 47.8081 0.0000 175.5989 26 A 4.0182 8.2508 123.8576 54.7239 18.2976 179.8330 27 V 3.7233 8.3347 117.2450 66.3470 31.6070 178.6415 28 G 3.7255 8.1960 104.6341 47.3568 0.0000 175.7055 29 A 4.0807 8.4050 123.3989 55.2207 18.4410 179.9248 30 V 3.7429 7.6030 115.5649 66.1018 31.5907 178.4290 31 G 3.7859 8.2653 105.6134 47.7237 0.0000 175.4435 32 L 3.9589 8.3217 122.9348 57.9260 42.1640 179.2213 33 V 3.9194 8.2606 118.4599 65.8540 30.9747 177.8431 34 W 4.2415 9.2081 128.3375 60.5647 30.4065 177.9308 35 A 3.4016 8.0446 119.8517 54.4913 17.9022 178.8049 36 T 4.0386 7.6471 105.2394 60.9541 70.6309 174.3071 37 D 4.2325 7.4703 120.4622 54.7924 39.0346 175.6518 38 W 4.5811 8.3747 127.9811 57.8083 31.0559 175.0711 39 R 4.0127 8.8725 126.4854 59.3876 29.4157 178.4893 40 L 3.9343 7.8109 116.9462 57.7860 41.7808 178.8870 41 I 3.8341 7.2054 118.2709 63.3438 37.4586 177.8216 42 L 4.2977 7.9561 118.8825 56.9570 41.2868 178.9106 43 D 4.4476 7.8815 118.9161 57.2056 40.7802 177.8663 44 W 3.9888 8.3563 118.4675 59.2976 29.3519 176.7138 45 V 3.8440 7.6952 119.2953 62.0696 30.6747 174.8208 46 P 4.5216 0.0000 0.0000 64.4514 31.4591 176.5420 47 Y 4.7055 7.7154 117.2937 58.2024 40.7342 175.7005 48 I 3.7659 7.6628 119.8295 61.0658 35.2053 174.1644 49 N 4.8385 7.8072 120.4581 51.3231 40.1573 174.6419 50 G 3.6209 8.4617 112.5429 47.7620 0.0000 172.6894 51 K 4.0671 7.8258 119.6949 55.6946 32.5311 177.0265 52 F 4.7175 8.6026 122.7280 58.4137 39.6365 175.4713 53 K 4.1695 8.7000 121.3623 57.1822 32.0158 175.4451 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 4.49 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 8.06 4.63 0.00 1.80 1.63 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.33 4.06 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 1.21 0.00 0.00 4 R 7.94 3.61 0.00 1.45 1.08 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 5 F 7.45 3.42 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.36 4.57 0.00 1.55 1.59 0.95 1.02 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 7 G 8.34 4.14 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 0.00 8 P 0.00 4.28 0.00 2.17 2.14 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 9 R 7.80 3.82 0.00 1.69 1.41 0.00 3.05 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 Y 7.70 4.38 0.00 3.27 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 11 R 8.23 3.99 0.00 2.10 2.16 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 12 Q 8.08 4.04 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 13 L 8.27 4.12 0.00 1.89 1.96 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.38 4.30 1.49 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 0.00 0.00 15 R 7.96 3.88 0.00 2.15 2.10 0.00 3.10 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 16 N 8.08 4.30 0.00 2.67 2.40 0.00 0.00 7.05 7.20 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 17 W 7.84 4.72 0.00 3.42 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 18 V 7.46 3.66 2.14 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 1.16 0.00 0.00 1.05 0.00 0.00 19 P 0.00 4.50 0.00 2.18 2.08 0.00 4.11 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 20 T 8.00 3.90 4.87 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 1.75 0.00 0.00 21 A 8.56 4.26 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.11 0.00 4.07 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 0.00 23 L 8.09 3.96 0.00 1.66 1.47 0.84 0.74 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 24 W 8.58 4.59 0.00 3.40 3.17 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 25 G 8.24 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 26 A 8.25 4.02 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 27 V 8.33 3.72 2.40 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 1.20 0.00 0.00 0.69 0.00 0.00 28 G 8.20 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 0.00 0.00 0.00 29 A 8.40 4.08 1.47 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 0.00 0.00 30 V 7.60 3.74 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 1.04 0.00 0.00 1.02 0.00 0.00 31 G 8.27 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.32 3.96 0.00 1.96 1.85 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.26 3.92 2.50 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 1.13 0.00 0.00 1.43 0.00 0.00 34 W 9.21 4.24 0.00 3.42 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.40 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 36 T 7.65 4.04 4.07 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 0.00 0.00 0.00 1.05 0.00 0.00 37 D 7.47 4.23 0.00 2.79 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 38 W 8.37 4.58 0.00 3.45 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 39 R 8.87 4.01 0.00 2.00 2.05 0.00 3.48 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.10 0.00 40 L 7.81 3.93 0.00 1.03 1.15 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.21 3.83 1.75 0.00 0.00 -0.59 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 0.61 0.82 0.00 0.00 42 L 7.96 4.30 0.00 1.89 1.79 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.88 4.45 0.00 2.85 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 44 W 8.36 3.99 0.00 3.53 3.16 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 45 V 7.70 3.84 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.04 0.00 0.00 46 P 0.00 4.52 0.00 2.16 2.14 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 47 Y 7.72 4.71 0.00 2.78 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 I 7.66 3.77 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.94 0.00 0.00 49 N 7.81 4.84 0.00 2.64 2.73 0.00 0.00 7.16 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 50 G 8.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.07 0.00 1.76 1.79 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.50 7.81 52 F 8.60 4.72 0.00 2.99 2.85 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 0.00 0.00 0.00 53 K 8.70 4.17 0.00 1.93 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.35 7.81