NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4906 8.1633 120.6059 55.6570 34.1099 174.0242 2 K 4.7479 7.9392 121.8120 54.3131 36.5127 170.4790 3 V 4.0477 8.8208 116.2786 62.6872 36.4656 172.7021 4 R 4.4392 8.7631 129.1656 54.6484 28.2558 175.9187 5 A 4.3745 8.3944 118.8518 53.2294 24.8608 177.6136 6 S 3.3509 8.4316 114.9625 58.8778 61.8524 175.5101 7 V 3.2914 8.8049 129.5185 63.5994 29.0698 172.4429 8 K 4.5668 7.9187 128.8042 57.4787 32.9502 176.5621 9 R 3.3028 7.8469 116.4070 59.1620 29.8754 174.1369 10 I 4.0754 7.6356 114.9570 62.5267 42.4971 176.0334 11 C 4.3688 7.6167 119.1566 54.2191 41.0939 175.9918 12 D 4.4728 10.6100 118.7768 56.9993 41.6269 174.4980 13 K 4.5851 8.3436 116.5072 56.2479 33.9435 175.1570 14 C 4.3631 8.2766 117.1463 57.2375 41.8360 173.6541 15 K 4.3283 8.8712 124.4692 56.0953 33.0483 177.0852 16 V 4.3448 8.4708 125.5158 61.0209 31.0271 173.8740 17 I 4.3083 8.4879 129.2917 60.5609 39.0384 174.9255 18 R 4.7264 8.6663 127.0951 55.3855 30.5316 176.9690 19 R 4.2750 8.8162 122.2860 55.9905 31.6606 175.1324 20 H 3.7809 9.5027 122.9584 57.1639 25.9602 176.1704 21 G 3.8993 8.0602 103.1783 46.2356 0.0000 173.3749 22 R 4.2640 7.7954 120.0607 55.4000 31.0609 176.2855 23 V 4.4752 8.7410 125.9908 62.1525 31.7460 172.9704 24 Y 5.1274 9.1290 124.0567 55.8242 41.2546 174.5653 25 V 4.6429 8.8201 125.6355 61.9102 33.5203 174.5784 26 I 4.9180 8.6333 128.3820 60.1476 40.0656 175.0378 27 C 4.8373 8.3474 121.8758 59.2365 32.0310 173.5086 28 E 4.5373 8.9113 115.8642 52.7147 28.8994 174.3468 29 N 4.9512 7.9879 126.1418 52.6224 41.8962 172.6947 30 P 4.3582 0.0000 0.0000 65.9390 31.1655 178.3598 31 K 3.7359 8.2246 116.9140 59.1769 31.9079 176.7839 32 H 4.6300 8.3218 113.5013 54.9537 29.0713 173.6370 33 K 3.9158 7.7758 121.8818 56.5221 31.3888 175.5550 34 Q 4.3101 8.6925 123.8661 54.2849 28.4651 172.9463 35 R 3.3174 8.7541 121.3565 53.5777 31.3427 176.4845 36 Q 4.9228 7.5937 126.4823 54.7345 28.3352 176.0591 37 G 3.9443 8.2703 112.9705 46.8908 0.0000 173.4939 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 8.16 4.49 0.00 2.23 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 2.52 2.53 0.00 2 K 7.94 4.75 0.00 1.74 1.71 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.42 7.81 3 V 8.82 4.05 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 0.92 0.00 0.00 0.90 0.00 0.00 4 R 8.76 4.44 0.00 1.84 1.90 0.00 3.37 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 5 A 8.39 4.37 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 6 S 8.43 3.35 0.00 4.00 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 7 V 8.80 3.29 2.46 0.00 0.00 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 0.96 0.00 0.00 8 K 7.92 4.57 0.00 1.70 1.70 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81 9 R 7.85 3.30 0.00 1.87 1.96 0.00 3.25 0.00 0.00 3.60 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 10 I 7.64 4.08 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.49 0.93 0.00 0.00 11 C 7.62 4.37 0.00 2.91 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 12 D 10.61 4.47 0.00 2.82 2.79 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 13 K 8.34 4.59 0.00 1.65 1.71 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 C 8.28 4.36 0.00 2.85 3.02 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 15 K 8.87 4.33 0.00 2.05 1.67 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.38 7.81 16 V 8.47 4.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 17 I 8.49 4.31 2.17 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 1.26 1.01 0.94 0.00 0.00 18 R 8.67 4.73 0.00 1.70 1.91 0.00 3.21 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 19 R 8.82 4.27 0.00 1.78 1.85 0.00 2.21 0.00 0.00 2.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 20 H 9.50 3.78 0.00 3.24 3.32 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.06 3.90 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 0.00 0.00 0.00 22 R 7.80 4.26 0.00 1.83 0.70 0.00 2.52 0.00 0.00 2.87 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.45 0.00 23 V 8.74 4.48 2.15 0.00 0.00 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 1.03 0.00 0.00 24 Y 9.13 5.13 0.00 2.89 2.84 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 25 V 8.82 4.64 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 1.00 0.00 0.00 1.01 0.00 0.00 26 I 8.63 4.92 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.93 0.00 0.00 27 C 8.35 4.84 0.00 2.88 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 28 E 8.91 4.54 0.00 1.90 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 2.19 2.24 0.00 29 N 7.99 4.95 0.00 2.84 2.99 0.00 0.00 6.76 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 30 P 0.00 4.36 0.00 2.25 2.34 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 31 K 8.22 3.74 0.00 1.66 1.74 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.40 7.81 32 H 8.32 4.63 0.00 3.05 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.78 3.92 0.00 1.76 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.60 7.81 34 Q 8.69 4.31 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.64 0.00 35 R 8.75 3.32 0.00 1.41 0.97 0.00 2.98 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.00 36 Q 7.59 4.92 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.13 0.00 37 G 8.27 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