NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3397 8.4293 118.7591 55.8013 31.6065 175.4907 2 Q 4.0568 7.2705 114.9468 55.8271 32.3423 170.5649 3 V 3.7437 7.8686 120.9506 59.9406 31.0356 174.8738 4 F 4.5158 8.0541 124.7058 57.0381 38.3673 174.8846 5 A 4.7656 8.0572 127.3429 49.7946 22.3855 175.7148 6 V 3.7322 7.8848 118.6981 61.1809 32.4449 175.9932 7 E 4.2027 8.3950 122.1245 58.9134 30.3950 176.5663 8 S 4.5604 7.4492 111.0681 58.2028 66.0662 174.5753 9 I 4.3514 8.2524 120.9137 59.7835 37.5552 176.1676 10 R 4.1927 8.7115 129.2061 59.0052 30.4209 176.3915 11 K 3.7001 7.1404 115.6218 55.4307 35.7438 174.1621 12 K 4.9265 7.4751 119.0923 55.4426 35.8814 175.1284 13 R 4.6345 8.5558 119.4693 55.3178 34.0814 173.9881 14 V 4.2395 8.2607 124.7924 62.0223 32.4385 175.4706 15 R 4.4219 8.8576 127.5177 55.7355 32.8610 174.7475 16 K 3.8652 9.8218 124.3982 57.9539 31.5131 175.6755 17 G 3.9056 8.5147 103.8073 46.6469 0.0000 173.7435 18 K 4.4694 7.9086 120.1776 53.9499 35.3527 175.3541 19 V 4.1513 8.4736 125.5674 62.7690 32.4730 174.2561 20 E 4.9532 8.9876 128.6139 55.2664 31.9684 174.9916 21 Y 4.7916 8.7901 121.1036 55.8791 41.0860 174.8509 22 L 3.5354 7.6512 128.0178 54.3063 42.4724 176.8762 23 V 4.0604 7.5697 119.3439 60.6763 32.7459 176.0029 24 K 4.5325 8.5586 123.2470 54.4878 34.5623 175.3566 25 W 4.5299 8.9970 127.7273 55.8668 30.8749 176.2538 26 K 4.5616 8.3909 122.2462 58.2139 31.2774 177.6072 27 G 3.8562 9.2003 112.9651 44.7902 0.0000 172.1050 28 W 4.7835 7.9784 119.8660 53.7011 31.5056 174.1611 29 P 4.6199 0.0000 0.0000 62.0096 31.4803 175.2894 30 P 4.6194 0.0000 0.0000 63.9092 31.1872 178.2684 31 K 3.9477 7.9732 118.8669 59.7801 32.7144 177.1911 32 Y 4.4206 7.8321 115.2962 57.7395 37.9245 175.3912 33 S 5.0751 7.6082 116.0965 58.0862 63.3301 173.0036 34 T 4.7511 8.3086 112.1317 59.4474 70.9241 173.7641 35 W 4.4770 9.3828 126.7669 56.7443 29.3071 174.9786 36 E 4.9874 9.0570 124.1118 53.6188 32.0808 174.5918 37 P 5.6967 0.0000 0.0000 61.6888 33.0130 176.5390 38 E 4.0142 9.2585 118.8006 59.3716 29.2789 178.3827 39 E 4.3053 8.0720 113.9706 57.3138 30.3928 176.2802 40 H 4.8958 7.8567 115.5027 55.4730 29.3819 174.8575 41 I 3.8550 7.4025 121.2421 60.9522 37.4885 176.3833 42 L 4.1261 8.3599 124.5480 57.6345 42.0995 176.9912 43 D 4.5791 7.6514 115.4248 51.0134 43.5970 173.9570 44 P 4.2342 0.0000 0.0000 66.1394 30.7177 178.7711 45 R 3.9539 8.1217 115.2331 58.8689 29.3220 178.8502 46 L 3.9976 7.9920 120.3342 57.2935 41.6642 179.4742 47 V 3.4839 7.5320 118.9408 64.9883 31.4049 178.0083 48 M 4.1425 7.8312 116.2548 57.0215 31.0608 178.1294 49 A 4.0558 7.5811 121.2033 54.5577 18.2195 178.2610 50 Y 4.3329 7.5709 117.4381 60.1449 39.0658 177.2143 51 E 3.7104 8.2240 118.4408 59.5691 29.8026 178.3165 52 E 4.0058 7.9283 117.8989 58.4899 29.9724 176.8744 53 K 4.3238 7.1177 117.0147 55.3025 33.5422 175.5277 54 E 4.2909 8.2869 119.0470 55.6868 30.4401 176.4824 55 E 4.2283 8.5498 122.5513 56.4618 29.7529 175.8718 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 E 8.43 4.34 0.00 2.11 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 0.00 2.11 2.25 0.00 2 Q 7.27 4.06 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.24 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 3 V 7.87 3.74 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.87 0.00 0.00 4 F 8.05 4.52 0.00 3.10 3.05 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 5 A 8.06 4.77 1.16 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 0.00 0.00 6 V 7.88 3.73 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 0.64 0.00 0.00 0.34 0.00 0.00 7 E 8.40 4.20 0.00 2.17 2.25 0.00 0.00 0.00 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 2.31 0.00 8 S 7.45 4.56 0.00 3.89 3.91 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 9 I 8.25 4.35 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.88 0.00 0.00 10 R 8.71 4.19 0.00 1.73 1.88 0.00 3.39 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 11 K 7.14 3.70 0.00 1.69 1.88 0.00 1.67 0.00 0.00 2.05 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.07 7.81 12 K 7.48 4.93 0.00 1.13 1.32 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.54 7.81 13 R 8.56 4.63 0.00 2.00 1.75 0.00 3.04 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 14 V 8.26 4.24 2.05 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 0.75 0.00 0.00 0.91 0.00 0.00 15 R 8.86 4.42 0.00 1.61 1.75 0.00 3.31 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 16 K 9.82 3.87 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.39 7.81 17 G 8.51 3.91 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 0.00 0.00 0.00 18 K 7.91 4.47 0.00 1.79 1.73 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 19 V 8.47 4.15 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 0.47 0.00 0.00 0.95 0.00 0.00 20 E 8.99 4.95 0.00 2.04 2.27 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 2.32 2.52 0.00 21 Y 8.79 4.79 0.00 2.96 2.67 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 22 L 7.65 3.54 0.00 0.27 0.77 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.57 4.06 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 0.34 0.00 0.00 0.67 0.00 0.00 24 K 8.56 4.53 0.00 1.71 1.62 0.00 1.85 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.56 7.81 25 W 9.00 4.53 0.00 3.51 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 26 K 8.39 4.56 0.00 1.91 1.90 0.00 1.81 0.00 0.00 0.61 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 27 G 9.20 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.98 4.78 0.00 3.44 3.22 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 0.00 0.00 0.00 29 P 0.00 4.62 0.00 2.32 2.30 0.00 4.19 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.17 0.00 30 P 0.00 4.62 0.00 2.25 2.35 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 31 K 7.97 3.95 0.00 1.66 1.88 0.00 1.27 0.00 0.00 1.32 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.24 0.50 7.81 32 Y 7.83 4.42 0.00 3.03 2.66 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 0.00 0.00 0.00 33 S 7.61 5.08 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.75 4.42 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 1.37 0.00 0.00 35 W 9.38 4.48 0.00 3.18 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 36 E 9.06 4.99 0.00 2.13 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 0.00 2.47 2.23 0.00 37 P 0.00 5.70 0.00 2.16 2.49 0.00 3.98 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 38 E 9.26 4.01 0.00 2.06 2.16 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 2.67 2.75 0.00 39 E 8.07 4.31 0.00 2.08 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 0.00 2.15 2.13 0.00 40 H 7.86 4.90 0.00 3.18 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.40 3.86 1.73 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.78 0.00 0.00 42 L 8.36 4.13 0.00 1.58 1.72 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.65 4.58 0.00 2.59 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 0.00 0.00 0.00 0.00 44 P 0.00 4.23 0.00 2.27 2.30 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 45 R 8.12 3.95 0.00 2.07 2.28 0.00 2.93 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 46 L 7.99 4.00 0.00 1.67 1.61 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.53 3.48 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 0.89 0.00 0.00 0.95 0.00 0.00 48 M 7.83 4.14 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 49 A 7.58 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.57 4.33 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.71 0.00 2.00 2.03 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 2.81 2.60 0.00 52 E 7.93 4.01 0.00 1.91 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 0.00 2.30 2.29 0.00 53 K 7.12 4.32 0.00 1.74 1.73 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.62 1.61 7.81 54 E 8.29 4.29 0.00 1.93 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 2.24 2.21 0.00 55 E 8.55 4.23 0.00 1.98 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 2.37 2.70 0.00