NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4887 8.3049 120.3484 55.5694 33.5335 175.2567 2 K 4.5666 7.9946 124.3833 54.5239 33.1018 172.6043 3 E 5.0109 7.8455 112.0820 55.7189 33.8380 176.5773 4 G 3.6636 8.9560 109.5274 46.2959 0.0000 174.7457 5 I 4.4803 8.9729 120.0287 62.5145 43.5263 175.0478 6 H 4.5824 8.0326 121.9633 53.9366 26.0869 173.7543 7 P 4.4443 0.0000 0.0000 61.9500 30.8143 170.6463 8 K 3.8299 8.2279 134.0764 55.7917 33.1795 175.3440 9 L 4.0304 8.1473 125.8354 55.3088 42.4145 177.0280 10 V 4.3760 7.8502 116.0670 63.1168 36.3821 172.7724 11 P 4.7668 0.0000 0.0000 63.1659 28.6081 174.9321 12 A 4.6771 7.9216 127.5289 50.7687 22.6836 176.3314 13 R 4.0943 7.9325 117.5100 56.7502 30.7465 174.2185 14 I 4.5115 7.3047 124.4954 60.8867 39.8870 172.8466 15 I 4.8018 7.9319 128.6205 59.6245 39.9966 174.4509 16 C 4.6370 9.4607 118.9579 57.1486 32.7353 172.3108 17 G 4.4896 7.9522 104.6422 47.0360 0.0000 170.6404 18 C 4.6347 8.0122 113.3776 58.5664 32.5358 171.4945 19 G 4.0880 7.9691 109.0503 46.6305 0.0000 172.6887 20 N 5.2664 8.7025 120.8630 50.7238 42.8465 173.9680 21 V 3.9182 8.7113 121.6980 62.3092 32.4706 176.3152 22 I 3.7184 8.7045 120.9874 63.2746 36.6149 175.0950 23 E 4.5411 6.9448 112.7592 56.8657 31.2295 178.5680 24 T 4.0754 7.7778 124.8190 64.4726 67.3692 174.2476 25 Y 4.7096 8.6333 115.7091 57.0927 40.0155 175.0802 26 S 4.5559 7.4495 118.5465 58.7732 61.4205 173.1517 27 T 4.5669 7.2338 117.1305 62.3679 72.8510 172.7553 28 K 4.6479 8.2043 127.5945 55.7851 34.0302 174.2533 29 P 4.5572 0.0000 0.0000 61.5837 30.5244 178.0718 30 E 4.5005 8.8218 123.6104 55.4797 28.3791 174.3831 31 I 4.4067 7.6908 117.0436 58.9175 40.6702 174.4911 32 Y 4.8708 6.3615 121.7583 57.1606 40.7387 173.3414 33 V 4.8233 6.8654 117.1042 62.5574 31.0188 175.2684 34 E 4.5725 8.1450 118.9356 55.8564 29.1780 177.6179 35 V 4.6312 8.8759 126.6564 61.6679 35.6669 173.4691 36 C 5.3363 8.5201 120.6187 58.5542 31.9619 173.0697 37 S 4.4320 8.7859 114.5068 57.8320 65.0424 173.4466 38 K 4.4298 8.9790 124.3119 57.0419 31.9302 176.6561 39 C 5.5754 7.8293 128.4007 59.9817 32.3705 172.4364 40 H 4.9028 7.7401 122.8174 54.3628 33.2172 172.2823 41 P 5.0574 0.0000 0.0000 63.2265 31.6716 172.8748 42 F 5.3159 8.0616 128.8960 59.2124 42.5331 174.3201 43 Y 4.6484 5.3700 110.4170 57.5216 41.6604 173.7509 44 T 4.4956 8.5876 119.5127 63.0595 73.9325 172.4253 45 G 4.3877 8.2811 108.4940 45.5366 0.0000 172.5403 46 Q 4.3485 9.0752 122.6440 54.8363 30.5643 173.1905 47 Q 5.2286 8.3602 114.7627 52.9780 31.2940 175.7352 48 R 3.9378 7.6123 125.7337 57.9535 30.5591 177.5757 49 F 4.9862 7.9836 117.2971 57.7455 38.7831 173.8138 50 V 3.5358 9.6167 125.4529 63.1093 29.7641 170.5649 51 D 4.6347 7.5577 113.2208 54.4086 45.5434 173.1576 52 T 4.2661 7.0578 124.9527 62.9203 76.1543 176.9324 53 E 5.0818 6.8180 135.0000 57.2836 34.6731 173.6652 54 G 4.8704 7.4269 106.0047 43.0718 0.0000 176.5634 55 R 4.0861 7.7531 118.3992 53.9032 29.0056 179.6590 56 V 3.5700 7.8021 113.2025 62.7456 30.4689 173.0227 57 E 4.1293 8.7740 117.7691 56.6251 33.4954 178.4208 58 R 2.7191 8.5637 122.8092 56.0971 30.0991 177.8820 59 F 4.0467 5.4600 126.3985 59.0219 39.2097 177.8047 60 Q 3.4173 8.7483 119.8542 59.3803 28.4270 178.8363 61 R 3.8643 8.4465 119.6568 57.9982 29.8294 179.1280 62 R 4.4329 8.1614 119.1520 60.6522 30.3421 177.7630 63 Y 4.0044 7.8268 114.6127 61.4355 37.9347 178.9359 64 G 3.8669 8.6947 105.2084 48.3783 0.0000 174.5547 65 D 4.4187 8.5737 120.8886 56.1115 39.1331 179.0314 66 S 4.1131 7.7131 115.4008 62.2118 63.1593 175.8452 67 Y 4.3757 8.1302 118.8173 61.9455 37.6035 178.8893 68 R 4.0855 8.0582 118.9180 58.4542 30.2220 179.2604 69 K 4.0576 8.0985 118.6053 59.5767 32.2212 178.7035 70 G 3.9270 7.7922 104.5353 47.3986 0.0000 173.1206 71 R 5.1179 8.0346 123.3158 57.1854 30.7013 174.6968 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 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 K 7.99 4.57 0.00 1.79 1.73 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.56 7.81 3 E 7.85 5.01 0.00 1.86 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 0.00 2.10 2.13 0.00 4 G 8.96 3.66 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 0.00 0.00 0.00 5 I 8.97 4.48 1.90 0.00 0.00 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 1.44 0.81 1.12 0.00 0.00 6 H 8.03 4.58 0.00 3.19 3.66 0.00 5.88 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.44 0.00 2.27 2.19 0.00 4.17 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 2.47 1.99 0.00 8 K 8.23 3.83 0.00 1.95 1.91 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.41 7.81 9 L 8.15 4.03 0.00 1.67 1.65 0.93 0.89 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 10 V 7.85 4.38 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 0.78 0.00 0.00 0.96 0.00 0.00 11 P 0.00 4.77 0.00 2.22 2.26 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 12 A 7.92 4.68 1.21 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 0.00 0.00 13 R 7.93 4.09 0.00 1.78 1.94 0.00 3.38 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 I 7.30 4.51 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 1.00 0.00 0.00 15 I 7.93 4.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.90 0.00 0.00 16 C 9.46 4.64 0.00 3.01 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 17 G 7.95 4.49 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 0.00 18 C 8.01 4.63 0.00 3.05 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 19 G 7.97 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.70 5.27 0.00 3.01 2.71 0.00 0.00 6.68 7.68 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 21 V 8.71 3.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 22 I 8.70 3.72 1.94 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 1.47 0.66 0.97 0.00 0.00 23 E 6.94 4.54 0.00 2.44 1.54 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 2.42 2.42 0.00 24 T 7.78 4.08 3.33 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 0.98 0.00 0.00 25 Y 8.63 4.71 0.00 3.03 2.97 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 0.00 0.00 0.00 0.00 26 S 7.45 4.56 0.00 4.00 4.16 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 27 T 7.23 4.57 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 K 8.20 4.65 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 29 P 0.00 4.56 0.00 2.19 1.24 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 30 E 8.82 4.50 0.00 2.39 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 0.00 2.30 2.16 0.00 31 I 7.69 4.41 1.69 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.81 0.00 0.00 32 Y 6.36 4.87 0.00 3.35 3.29 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 0.00 33 V 6.87 4.82 2.06 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 1.16 0.00 0.00 1.06 0.00 0.00 34 E 8.15 4.57 0.00 2.02 1.99 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 2.30 2.32 0.00 35 V 8.88 4.63 2.20 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 1.05 0.00 0.00 0.96 0.00 0.00 36 C 8.52 5.34 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.43 0.00 3.81 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 38 K 8.98 4.43 0.00 1.78 1.64 0.00 1.99 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 39 C 7.83 5.58 0.00 3.12 2.80 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 40 H 7.74 4.90 0.00 3.13 3.21 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.06 0.00 2.48 1.84 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 42 F 8.06 5.32 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 5.37 4.65 0.00 1.90 1.99 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 44 T 8.59 4.50 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 1.23 0.00 0.00 45 G 8.28 4.39 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 0.00 46 Q 9.08 4.35 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 47 Q 8.36 5.23 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 R 7.61 3.94 0.00 1.95 1.49 0.00 3.19 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 49 F 7.98 4.99 0.00 2.98 2.95 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 50 V 9.62 3.54 2.02 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 0.75 0.00 0.00 0.90 0.00 0.00 51 D 7.56 4.63 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.06 4.27 4.53 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 1.19 0.00 0.00 53 E 6.82 5.08 0.00 2.02 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 0.00 2.01 2.06 0.00 54 G 7.43 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 0.00 0.00 0.00 0.00 55 R 7.75 4.09 0.00 2.14 0.94 0.00 3.60 0.00 0.00 3.84 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 56 V 7.80 3.57 1.99 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 0.94 0.00 0.00 0.87 0.00 0.00 57 E 8.77 4.13 0.00 2.32 1.91 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 2.38 2.28 0.00 58 R 8.56 2.72 0.00 0.67 0.66 0.00 2.94 0.00 0.00 3.13 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 59 F 5.46 4.05 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 60 Q 8.75 3.42 0.00 2.35 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.98 2.91 0.00 61 R 8.45 3.86 0.00 2.26 1.70 0.00 3.07 0.00 0.00 3.07 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 62 R 8.16 4.43 0.00 1.91 1.98 0.00 3.16 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 63 Y 7.83 4.00 0.00 2.71 1.90 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 64 G 8.69 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 0.00 0.00 0.00 65 D 8.57 4.42 0.00 2.86 2.95 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 66 S 7.71 4.11 0.00 3.94 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 0.00 67 Y 8.13 4.38 0.00 3.14 2.81 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 68 R 8.06 4.09 0.00 1.94 2.00 0.00 3.33 0.00 0.00 3.58 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 69 K 8.10 4.06 0.00 2.22 1.83 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.57 7.81 70 G 7.79 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.03 5.12 0.00 1.85 2.22 0.00 3.11 0.00 0.00 3.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00