NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3002 8.1548 120.2084 55.8020 31.7537 175.7963 2 P 4.2365 0.0000 0.0000 60.3206 32.1703 175.0481 3 D 4.4516 8.1900 118.0953 56.0702 40.4675 178.0442 4 F 4.7582 7.7399 116.9165 59.0844 37.8204 177.4100 5 C 4.6257 6.7354 115.5498 58.2731 40.0434 173.8651 6 L 4.4722 7.5210 119.3819 54.4676 42.3730 176.6941 7 E 4.2779 7.9667 120.0161 54.9811 30.1587 174.7708 8 P 4.3406 0.0000 0.0000 61.4700 32.1627 174.4937 9 P 3.5264 0.0000 0.0000 62.9126 31.2640 175.2048 10 Y 4.6503 7.9678 122.9507 56.0930 39.2478 175.2072 11 T 4.1706 7.7886 124.9522 64.8875 68.8033 176.3388 12 G 3.8043 6.7757 106.5239 43.8280 0.0000 171.3568 13 P 4.3212 0.0000 0.0000 65.2427 31.9995 177.9998 14 C 4.5193 7.8887 115.6892 56.8183 40.7513 173.3743 15 K 4.3140 8.1538 119.3711 56.0095 32.6795 176.4327 16 A 4.2809 7.9736 120.6030 51.3811 20.7753 177.7872 17 R 4.5890 8.2747 120.0754 54.4181 29.4736 173.0725 18 I 4.3943 8.4007 122.6002 59.0566 39.6887 174.5149 19 I 4.4285 8.2875 128.4716 60.6423 38.2276 175.2480 20 R 4.8700 8.0532 125.0957 54.6327 34.8647 173.4597 21 Y 5.7635 9.3540 116.6197 56.7039 41.4608 175.3847 22 F 5.6107 9.7188 117.2926 55.1118 41.9768 173.2219 23 Y 4.2697 9.5723 123.0166 57.6551 39.3452 174.8239 24 N 4.6594 8.3438 127.2223 52.0392 38.6872 175.3975 25 A 3.8450 8.4484 129.8587 54.5058 19.0724 179.0121 26 K 4.0647 8.2486 115.1851 59.5293 32.1758 178.5564 27 A 4.0082 8.0228 120.0264 52.8421 18.6393 177.5869 28 G 3.8115 8.3559 103.5024 46.0116 0.0000 172.8046 29 L 4.6805 6.8917 118.1147 54.0962 44.5540 174.8072 30 C 4.9209 8.6549 116.7411 56.7369 36.8767 173.5496 31 Q 4.8786 8.5269 122.3397 54.1673 32.2250 174.7133 32 T 5.3388 8.4904 110.5176 60.5283 70.9921 173.6241 33 F 4.9297 8.1816 116.0354 56.2771 41.6568 172.4885 34 V 4.4126 8.4181 119.6178 61.7482 33.2100 173.5214 35 Y 4.7510 8.8606 129.9403 55.9009 40.3692 176.4108 36 G 3.9122 8.0838 113.8135 46.3212 0.0000 174.9827 37 G 3.7644 6.9717 107.7724 44.9412 0.0000 172.1049 38 C 4.8774 7.0608 111.6827 55.3822 44.1125 173.2620 39 R 3.8984 8.8253 117.2533 56.8924 26.7157 176.6111 40 A 4.1493 8.5177 119.2122 52.9916 18.6922 178.4858 41 K 4.4133 8.3575 120.7220 54.8485 34.0978 177.1463 42 R 3.7281 8.1918 118.1833 59.1381 30.5664 177.8699 43 N 4.8472 7.9899 116.9513 52.3631 37.0479 175.0495 44 N 5.0406 6.6957 116.7356 52.9040 41.4627 172.9776 45 F 5.0910 9.5477 124.7993 55.7051 42.4230 176.5002 46 K 4.3384 8.8626 121.7249 58.0038 32.9408 177.6392 47 S 4.5156 7.6996 112.3311 55.3766 67.4058 174.5115 48 A 3.3156 7.1940 124.0421 55.0449 17.9753 180.0411 49 E 3.8015 7.7428 116.6554 59.4980 29.6342 178.9450 50 D 4.2679 7.9132 118.9213 57.4964 40.8588 178.0606 51 C 2.4500 7.6132 118.4032 59.4832 42.9224 175.5786 52 M 3.8506 8.1741 120.6000 58.2490 31.2517 178.7531 53 R 3.8054 7.6998 118.0951 59.5435 30.3042 178.4063 54 T 4.1128 7.5486 114.4032 66.0907 68.7925 175.5721 55 C 4.7138 7.8740 116.4022 56.3071 41.7526 174.1472 56 G 3.3611 7.1995 109.2786 49.1036 0.0000 172.1781 57 G 3.7139 8.4901 114.9200 44.8593 0.0000 173.0259 58 A 4.2174 7.3856 129.0183 51.8937 19.1215 177.3762 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 R 8.15 4.30 0.00 1.68 1.93 0.00 2.99 0.00 0.00 3.83 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.73 0.00 2 P 0.00 4.24 0.00 1.60 1.89 0.00 3.79 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 1.67 1.98 0.00 3 D 8.19 4.45 0.00 2.86 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 4 F 7.74 4.76 0.00 3.39 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 5 C 6.74 4.63 0.00 2.91 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 6 L 7.52 4.47 0.00 1.77 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.97 4.28 0.00 2.22 1.87 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 2.35 2.46 0.00 8 P 0.00 4.34 0.00 2.07 1.97 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.53 0.00 1.04 0.49 0.00 3.28 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 10 Y 7.97 4.65 0.00 2.79 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 11 T 7.79 4.17 4.13 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 1.15 0.00 0.00 12 G 6.78 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 13 P 0.00 4.32 0.00 2.17 2.18 0.00 3.93 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 2.00 2.03 0.00 14 C 7.89 4.52 0.00 2.92 2.92 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 0.00 0.00 0.00 15 K 8.15 4.31 0.00 1.65 1.72 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.33 7.81 16 A 7.97 4.28 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 17 R 8.27 4.59 0.00 1.75 1.79 0.00 3.32 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 I 8.40 4.39 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 1.01 0.00 0.00 19 I 8.29 4.43 1.80 0.00 0.00 0.82 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 0.43 0.72 0.00 0.00 20 R 8.05 4.87 0.00 1.09 1.99 0.00 3.39 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 21 Y 9.35 5.76 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.72 5.61 0.00 3.13 2.98 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 0.00 0.00 0.00 0.00 23 Y 9.57 4.27 0.00 3.03 3.18 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 0.00 0.00 0.00 0.00 24 N 8.34 4.66 0.00 2.34 2.46 0.00 0.00 6.65 7.39 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 25 A 8.45 3.85 1.40 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 0.00 0.00 26 K 8.25 4.06 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 8.02 4.01 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.36 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.89 4.68 0.00 1.67 1.71 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 4.92 0.00 2.90 3.18 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 0.00 0.00 0.00 0.00 31 Q 8.53 4.88 0.00 1.42 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 32 T 8.49 5.34 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 0.65 0.00 0.00 33 F 8.18 4.93 0.00 3.11 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 34 V 8.42 4.41 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 0.88 0.00 0.00 0.90 0.00 0.00 35 Y 8.86 4.75 0.00 2.58 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 36 G 8.08 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 37 G 6.97 3.76 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 0.00 0.00 0.00 38 C 7.06 4.88 0.00 3.07 2.98 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 0.00 0.00 0.00 0.00 39 R 8.83 3.90 0.00 2.19 2.34 0.00 3.32 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 40 A 8.52 4.15 1.08 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 0.00 0.00 41 K 8.36 4.41 0.00 1.75 1.70 0.00 1.21 0.00 0.00 1.43 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 42 R 8.19 3.73 0.00 1.44 0.85 0.00 2.32 0.00 0.00 2.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.00 43 N 7.99 4.85 0.00 3.13 2.88 0.00 0.00 6.68 7.79 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 44 N 6.70 5.04 0.00 2.68 2.61 0.00 0.00 7.08 7.02 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 45 F 9.55 5.09 0.00 3.33 2.94 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 46 K 8.86 4.34 0.00 1.83 1.95 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 47 S 7.70 4.52 0.00 4.00 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 48 A 7.19 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.74 3.80 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 D 7.91 4.27 0.00 2.91 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 51 C 7.61 2.45 0.00 2.81 3.01 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 0.00 0.00 0.00 52 M 8.17 3.85 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.79 0.00 53 R 7.70 3.81 0.00 1.84 2.03 0.00 3.23 0.00 0.00 3.18 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 54 T 7.55 4.11 4.04 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 0.00 0.00 0.00 1.60 0.00 0.00 55 C 7.87 4.71 0.00 2.67 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 0.00 0.00 0.00 56 G 7.20 3.36 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 0.00 57 G 8.49 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.39 4.22 0.95 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 0.00 0.00