NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5258 8.3349 116.8096 58.1213 64.5164 173.4220 8 D 4.7216 8.5036 124.1016 53.0060 42.1831 173.9812 9 F 5.2903 8.6477 115.4623 55.8125 42.1049 173.4664 10 V 4.4750 8.7407 111.4576 59.5234 35.6774 175.0393 11 V 4.7400 8.6902 124.7334 61.6961 33.5184 174.6131 12 I 4.7942 9.1288 128.3291 59.5071 40.5666 174.1976 13 K 4.8751 8.9781 129.6322 54.6508 33.8062 175.4650 14 A 4.3920 8.7090 130.5412 52.3162 18.9638 177.4794 15 L 4.6073 8.8629 122.8502 55.0001 42.4207 176.1514 16 E 4.6449 7.5810 115.3447 55.2151 31.9570 174.5677 17 D 4.4987 8.4565 119.3104 55.4244 41.3241 176.3806 18 G 3.8603 8.6801 108.3262 46.5818 0.0000 174.2580 19 V 4.0013 7.8390 119.4676 62.4531 33.0432 174.3860 20 N 5.3272 9.0211 123.8155 51.4453 41.7312 173.6816 21 V 4.4430 8.6390 124.3575 61.5213 33.2221 174.1993 22 I 4.4869 9.0626 131.0753 59.7172 39.3224 175.1630 23 G 4.2801 8.4863 114.2054 44.8904 0.0000 172.5330 24 L 5.5418 9.0342 126.3470 53.4174 43.8398 176.3960 25 T 4.6102 8.5749 113.9548 61.7522 69.4879 174.2564 26 R 4.0580 8.3848 125.5425 56.9398 31.0324 175.4676 27 G 3.7794 8.8226 109.9476 43.7806 0.0000 172.9688 28 A 4.0822 8.5750 121.7913 54.5419 18.5544 177.8945 29 D 4.8917 7.8164 113.8499 53.1542 42.7467 175.8455 30 T 4.7830 8.2623 118.2230 61.9330 71.3249 173.3117 31 R 4.5977 8.3544 121.0715 54.7514 33.8243 173.8621 32 F 5.3931 8.5749 118.3622 57.7693 39.0021 175.5444 33 H 5.0139 9.0271 117.9270 56.3742 31.0931 173.8674 34 H 4.8096 7.7028 117.6951 54.8761 33.4464 172.3965 35 S 4.6232 8.4521 121.8046 56.8331 64.0847 173.0932 36 E 4.2409 8.3640 127.6615 54.8708 30.6662 174.9817 37 K 4.6686 8.6097 129.1171 55.8221 33.3150 175.5326 38 L 4.8076 9.2929 128.1479 53.1693 44.4250 175.6948 39 D 5.0298 8.9892 122.8385 52.2341 43.5138 175.8477 40 K 3.8396 9.6246 123.0193 59.1634 32.2137 176.2816 41 G 4.0973 8.8587 115.2273 45.4190 0.0000 173.5782 42 E 4.2020 8.5028 119.9485 56.2927 30.6562 176.1723 43 V 4.9073 8.3192 122.7736 61.0211 34.1344 174.2821 44 L 4.7923 9.0435 129.3170 53.2535 45.0137 174.8349 45 I 5.0559 8.4707 126.1501 59.6047 39.2653 174.7799 46 A 4.7195 8.9876 128.7167 50.2438 22.1870 175.1864 47 Q 4.9287 8.6560 120.6334 54.6705 30.9297 175.3604 48 F 4.7139 8.4585 120.3314 57.5131 39.9252 175.3795 49 T 4.7656 9.0159 112.3731 59.6692 72.0998 173.1609 50 E 4.0104 8.9941 121.6170 59.5326 29.5858 177.3683 51 H 4.5492 8.2499 114.0427 56.4073 29.8700 174.5203 52 T 5.5135 8.3161 115.9466 60.9766 70.3229 173.9886 53 S 5.0243 8.8534 119.3142 57.8841 64.3936 173.6065 54 A 5.0513 7.9244 121.0931 51.2924 22.5382 175.4164 55 I 4.9949 8.5747 121.2949 59.3627 40.4632 174.6883 56 K 4.5738 9.1850 128.6498 54.5388 34.5767 174.7305 57 V 4.8714 8.3499 126.5054 61.0394 33.7688 174.2883 58 R 4.4700 9.0871 128.5392 55.5455 32.5514 175.2949 59 G 4.1147 9.0067 111.6348 43.9178 0.0000 172.5355 60 K 4.4549 9.2565 120.5721 56.4202 32.9300 175.6157 61 A 5.0616 8.7516 127.7609 51.0856 23.5694 173.6784 62 Y 4.8651 8.9229 121.0134 56.0840 40.9078 174.5131 63 I 5.0268 8.4177 127.5598 59.5721 40.5373 174.4663 64 Q 5.1935 8.7606 125.6068 54.3904 31.9781 174.8469 65 T 4.8349 8.4967 112.1710 59.7921 72.5465 174.6262 66 R 3.7209 8.5144 120.8853 59.4448 29.9312 176.6692 67 H 4.5457 7.9725 112.9560 55.8185 29.5802 174.3582 68 G 3.6863 7.2953 106.1515 43.8993 0.0000 172.2250 69 V 4.4228 7.9829 120.1978 62.2124 32.4222 176.4579 70 I 4.6574 8.7675 127.0273 59.2273 42.0190 173.2990 71 E 5.1178 8.6215 126.0620 54.5219 31.9022 175.9443 72 S 4.6659 8.8002 119.3643 57.7435 65.1923 172.9931 73 E 4.9181 8.5782 119.6335 54.6580 33.1427 175.7891 74 G 3.9792 8.5421 109.7197 44.3760 0.0000 174.0049 75 K 4.1346 8.6340 118.0027 56.9974 32.1111 177.1084 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 S 8.33 4.53 0.00 3.96 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 8 D 8.50 4.72 0.00 2.88 2.73 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 9 F 8.65 5.29 0.00 3.10 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 10 V 8.74 4.47 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.82 0.00 0.00 11 V 8.69 4.74 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 1.08 0.00 0.00 1.16 0.00 0.00 12 I 9.13 4.79 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.92 0.00 0.00 13 K 8.98 4.88 0.00 1.90 1.77 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.71 4.39 1.37 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 0.00 0.00 15 L 8.86 4.61 0.00 1.63 1.73 1.00 1.17 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 16 E 7.58 4.64 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 17 D 8.46 4.50 0.00 2.69 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 18 G 8.68 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 19 V 7.84 4.00 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 0.96 0.00 0.00 0.96 0.00 0.00 20 N 9.02 5.33 0.00 2.56 2.55 0.00 0.00 6.54 8.47 0.00 0.00 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 8.64 4.44 2.01 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 0.89 0.00 0.00 0.89 0.00 0.00 22 I 9.06 4.49 1.42 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.26 -0.07 0.00 0.00 23 G 8.49 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 0.00 0.00 0.00 0.00 24 L 9.03 5.54 0.00 1.90 1.72 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.57 4.61 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 1.39 0.00 0.00 26 R 8.38 4.06 0.00 1.90 1.97 0.00 3.36 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 27 G 8.82 3.78 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 0.00 0.00 0.00 28 A 8.57 4.08 1.29 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 0.00 0.00 29 D 7.82 4.89 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.26 4.78 4.25 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 0.00 0.00 1.27 0.00 0.00 31 R 8.35 4.60 0.00 1.89 1.96 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 32 F 8.57 5.39 0.00 2.91 2.87 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 33 H 9.03 5.01 0.00 3.16 3.47 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.70 4.81 0.00 3.18 3.04 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.45 4.62 0.00 3.67 3.68 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 0.00 0.00 0.00 0.00 36 E 8.36 4.24 0.00 2.12 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 2.27 2.28 0.00 37 K 8.61 4.67 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 9.29 4.81 0.00 1.56 1.52 0.97 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.99 5.03 0.00 2.72 2.68 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 0.00 0.00 0.00 0.00 40 K 9.62 3.84 0.00 1.57 1.86 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 8.86 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.50 4.20 0.00 2.02 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 2.32 2.25 0.00 43 V 8.32 4.91 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.04 4.79 0.00 1.73 1.45 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.06 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 0.81 0.00 0.00 46 A 8.99 4.72 1.14 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.66 4.93 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.87 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 48 F 8.46 4.71 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.02 4.77 4.31 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 1.29 0.00 0.00 50 E 8.99 4.01 0.00 1.96 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 0.00 2.11 2.32 0.00 51 H 8.25 4.55 0.00 3.26 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.32 5.51 4.36 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 1.39 0.00 0.00 53 S 8.85 5.02 0.00 3.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.92 5.05 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 55 I 8.57 4.99 1.81 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.83 0.00 0.00 56 K 9.18 4.57 0.00 1.75 1.46 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.35 7.81 57 V 8.35 4.87 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 0.81 0.00 0.00 0.89 0.00 0.00 58 R 9.09 4.47 0.00 1.82 1.68 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 59 G 9.01 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.26 4.45 0.00 1.94 1.73 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.75 5.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.92 4.87 0.00 3.05 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 63 I 8.42 5.03 1.89 0.00 0.00 0.83 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 0.49 0.90 0.00 0.00 64 Q 8.76 5.19 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 65 T 8.50 4.83 4.12 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 0.00 0.00 1.15 0.00 0.00 66 R 8.51 3.72 0.00 1.62 1.80 0.00 3.21 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 67 H 7.97 4.55 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.30 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.98 4.42 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 0.12 0.00 0.00 0.89 0.00 0.00 70 I 8.77 4.66 1.81 0.00 0.00 0.83 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 1.41 0.85 0.00 0.00 71 E 8.62 5.12 0.00 1.82 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 2.10 2.14 0.00 72 S 8.80 4.67 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.58 4.92 0.00 1.80 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 2.20 2.35 0.00 74 G 8.54 3.98 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 0.00 75 K 8.63 4.13 0.00 1.74 1.78 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.54 7.81