NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3358 8.3033 121.7280 56.0950 31.6946 174.0900 8 L 5.1096 8.2739 123.3733 52.8046 44.6741 170.5521 9 V 5.0270 8.9166 114.7604 59.5780 36.7132 173.8603 10 L 4.9912 8.8058 125.4411 53.4736 43.9472 175.3967 11 A 4.5390 9.0227 129.2764 52.2258 18.6074 178.0566 12 L 3.8260 8.9564 124.0672 56.9636 42.3735 176.9478 13 Y 4.8636 7.5135 113.7515 55.7500 42.1353 175.0564 14 D 4.8235 8.8196 120.9501 55.2107 42.0592 175.7358 15 Y 4.7420 9.1288 123.0175 56.5840 42.3400 173.1693 16 Q 4.6761 8.0696 128.6783 54.1075 30.4268 174.8988 17 E 4.2045 8.6918 125.0867 57.0559 29.8044 177.1162 18 K 4.5857 9.4170 120.7257 55.9221 33.9628 175.6664 19 S 4.6478 7.5702 112.7211 56.2999 65.6179 173.3147 20 P 4.2706 0.0000 0.0000 65.6672 31.1796 177.9149 21 R 4.3075 7.9038 114.8949 56.9750 30.5701 175.8112 22 E 5.3884 7.8785 118.1234 55.4524 31.1118 175.7120 23 V 4.7089 8.4227 119.6607 60.4419 34.7778 175.1014 24 T 5.0105 8.6441 118.2215 63.0022 69.8247 174.0864 25 M 5.0225 9.2904 121.7842 53.7456 35.4967 173.8683 26 K 5.0089 9.2502 119.4559 54.0600 35.1910 175.9891 27 K 3.9795 9.1040 125.0660 58.6586 32.3544 177.0166 28 G 4.0065 8.9376 115.0667 45.0875 0.0000 173.5131 29 D 4.5590 8.1289 120.0761 54.4770 42.2271 175.5088 30 I 4.8424 8.3082 122.6112 59.9197 38.6894 174.9328 31 L 4.9444 8.9132 127.7992 53.1237 44.8589 175.9963 32 T 4.5681 8.4238 119.3320 63.0751 69.9122 173.5791 33 L 4.4997 8.8198 129.6776 54.6486 42.1806 175.8740 34 L 4.4407 8.8338 126.8403 56.2852 43.5725 176.9765 35 N 4.6320 7.7008 117.7641 52.3955 41.9455 174.9353 36 S 4.1667 8.1911 121.8465 57.8474 63.3818 175.4803 37 T 3.9897 8.2835 114.0129 64.6990 68.8410 174.1473 38 N 4.8520 8.1070 120.4166 52.3107 39.9221 174.8762 39 K 4.3942 8.7425 123.4792 58.9113 33.5581 177.1876 40 D 4.4779 8.6750 119.2135 54.4992 43.1024 176.5365 41 W 5.2341 8.3874 117.1058 54.6469 32.4429 174.8937 42 W 5.3964 9.2870 124.9585 54.8932 31.6232 174.9741 43 K 4.2847 9.0000 126.1266 55.7529 32.9715 175.9897 44 V 4.9793 8.9754 119.8243 59.6394 36.8848 173.7320 45 E 4.9485 9.2101 123.4767 54.6625 32.1968 174.8611 46 V 4.4091 8.8261 127.8408 62.0727 32.9034 177.9372 47 N 4.0725 9.0870 130.5023 55.1325 37.5718 175.7330 48 D 4.8213 9.2956 122.7311 53.8722 40.6115 177.4762 49 R 4.9181 7.9321 117.9734 55.4919 34.1686 174.5005 50 Q 5.0539 9.1539 119.8116 53.8016 32.7332 175.5246 51 G 3.9007 7.7957 106.7115 46.9090 0.0000 170.8103 52 F 5.4844 8.4656 118.6331 56.5211 40.9360 176.0454 53 V 4.8998 8.9036 114.9920 58.6023 36.4784 173.4190 54 P 3.3549 0.0000 0.0000 61.7685 31.7618 177.6198 55 A 2.8999 7.9407 126.6863 54.8047 18.2149 179.5657 56 A 3.8785 7.2229 116.9440 54.8743 18.6918 177.5645 57 Y 4.8967 7.6899 112.4869 58.4220 38.2934 175.1254 58 V 5.0484 7.3719 112.1522 59.3118 36.0687 174.9126 59 K 4.6086 8.7792 123.0765 54.2667 34.8511 175.6329 60 K 4.5233 9.1191 127.1246 56.9585 32.8548 176.9638 61 L 4.3527 8.4331 123.2358 54.9144 41.3662 176.5495 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 7 E 8.30 4.34 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 8 L 8.27 5.11 0.00 1.71 1.55 0.92 0.58 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 9 V 8.92 5.03 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 0.90 0.00 0.00 1.05 0.00 0.00 10 L 8.81 4.99 0.00 1.75 1.53 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.02 4.54 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 12 L 8.96 3.83 0.00 1.23 0.95 0.93 0.54 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 13 Y 7.51 4.86 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.82 4.82 0.00 2.63 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 15 Y 9.13 4.74 0.00 3.37 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 16 Q 8.07 4.68 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 17 E 8.69 4.20 0.00 2.11 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 2.32 2.34 0.00 18 K 9.42 4.59 0.00 1.92 1.86 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.31 1.44 7.81 19 S 7.57 4.65 0.00 3.89 3.85 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 20 P 0.00 4.27 0.00 2.06 2.17 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 21 R 7.90 4.31 0.00 1.81 2.16 0.00 3.40 0.00 0.00 3.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 22 E 7.88 5.39 0.00 2.14 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 2.50 2.21 0.00 23 V 8.42 4.71 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 0.84 0.00 0.00 0.99 0.00 0.00 24 T 8.64 5.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 25 M 9.29 5.02 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 26 K 9.25 5.01 0.00 2.01 1.75 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 27 K 9.10 3.98 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.34 7.81 28 G 8.94 4.01 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 0.00 0.00 0.00 29 D 8.13 4.56 0.00 2.72 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 30 I 8.31 4.84 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.92 0.00 0.00 31 L 8.91 4.94 0.00 1.60 1.73 1.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.42 4.57 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 1.19 0.00 0.00 33 L 8.82 4.50 0.00 1.57 1.61 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.83 4.44 0.00 1.55 1.61 0.88 0.83 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 35 N 7.70 4.63 0.00 2.68 2.61 0.00 0.00 6.74 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 36 S 8.19 4.17 0.00 2.72 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 37 T 8.28 3.99 4.27 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 1.23 0.00 0.00 38 N 8.11 4.85 0.00 2.87 3.29 0.00 0.00 7.02 6.68 0.00 0.00 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 K 8.74 4.39 0.00 1.96 2.01 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 40 D 8.67 4.48 0.00 2.82 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 5.23 0.00 3.08 3.20 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 0.00 0.00 0.00 0.00 42 W 9.29 5.40 0.00 3.32 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 43 K 9.00 4.28 0.00 1.06 1.40 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.04 0.40 7.81 44 V 8.98 4.98 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 0.76 0.00 0.00 1.05 0.00 0.00 45 E 9.21 4.95 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 46 V 8.83 4.41 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 0.97 0.00 0.00 0.99 0.00 0.00 47 N 9.09 4.07 0.00 2.88 2.24 0.00 0.00 7.01 8.06 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 48 D 9.30 4.82 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.92 0.00 1.90 1.82 0.00 3.05 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 50 Q 9.15 5.05 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 51 G 7.80 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 52 F 8.47 5.48 0.00 3.09 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 53 V 8.90 4.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 54 P 0.00 3.35 0.00 0.49 0.50 0.00 2.66 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.46 0.00 55 A 7.94 2.90 -0.06 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 0.00 0.00 56 A 7.22 3.88 1.17 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 0.00 0.00 57 Y 7.69 4.90 0.00 2.99 3.04 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 0.00 58 V 7.37 5.05 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 0.71 0.00 0.00 1.06 0.00 0.00 59 K 8.78 4.61 0.00 1.78 1.62 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 K 9.12 4.52 0.00 1.79 1.80 0.00 1.89 0.00 0.00 1.90 0.00 0.00 2.74 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.53 1.83 7.81 61 L 8.43 4.35 0.00 1.56 1.58 0.93 0.65 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