NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4180 8.3344 115.4126 58.1204 63.2914 172.4944 3 I 4.3777 7.7165 121.6701 57.1089 40.3732 175.0985 4 S 4.1481 8.9581 121.5838 60.5804 64.0873 173.7530 5 A 4.0334 7.2100 124.5378 52.3420 17.8319 177.6469 6 R 4.0436 8.5757 122.2835 58.5164 30.8389 176.4500 7 N 4.8125 7.7476 115.5063 51.9457 40.1141 174.4803 8 Q 4.5044 8.6666 122.5678 54.3179 32.1996 174.7007 9 L 4.6703 8.9175 125.9165 52.4588 43.9756 176.6016 10 K 4.5240 8.7500 124.3559 56.6889 33.0085 176.6583 11 G 4.1645 9.0743 110.5272 45.5560 0.0000 171.2858 12 K 5.1507 8.7730 120.5314 54.1277 35.5608 175.3865 13 V 4.2817 8.7458 127.7317 63.3031 32.1017 176.4107 14 V 4.3981 9.0565 120.4510 61.2038 33.2559 175.8537 15 G 4.2796 7.7823 106.7070 45.2045 0.0000 172.2716 16 L 5.1238 8.2676 123.9345 53.5469 45.4342 174.3897 17 K 4.5750 9.2062 127.7694 54.6017 34.9826 174.5661 18 K 4.6673 8.8506 127.0386 55.1094 33.4684 176.7729 19 G 4.2826 8.6101 115.5782 44.9243 0.0000 173.2373 20 V 3.9116 8.4713 118.0593 64.5066 32.5899 177.7170 21 V 4.3159 7.7611 118.5303 63.6393 33.8425 175.1462 22 T 5.2688 7.7242 108.3552 59.8759 72.8324 172.4226 23 A 5.0265 8.9745 121.5571 50.5310 23.2720 174.6141 24 E 5.0304 9.3511 121.4390 54.4170 32.1177 174.8230 25 V 4.7421 9.1031 127.2610 61.0411 34.5544 174.0974 26 V 4.8694 8.8851 127.8651 61.0632 34.1337 174.0068 27 L 5.2202 8.9901 127.7067 52.8654 44.9205 175.0747 28 E 4.7871 9.4185 125.7035 55.5585 31.2781 175.4312 29 I 5.1399 8.8441 120.0724 58.3286 41.3275 174.4713 30 A 4.0884 8.4998 124.4629 54.1937 18.2909 178.1423 31 G 3.8378 8.7886 109.7716 45.1318 0.0000 174.5837 32 G 3.9613 8.0217 107.8644 44.8337 0.0000 173.9631 33 N 4.4823 7.8947 117.0722 53.8301 39.7535 173.8643 34 K 5.0987 8.5767 120.2781 54.7088 35.3991 175.4526 35 I 4.5888 8.8068 124.5634 59.7862 40.2376 174.5621 36 T 5.0609 8.5521 122.5071 61.7546 71.0571 173.3896 37 S 4.7540 9.2736 120.8507 56.4191 65.7770 172.5208 38 I 4.9753 8.4734 127.1848 59.6795 39.2051 174.4911 39 I 4.8484 8.3888 120.4232 58.5874 41.8757 174.8855 40 S 4.6672 8.4540 115.8253 57.7084 63.9186 174.9445 41 L 3.9719 8.8378 124.5400 58.4022 41.6444 179.2293 42 D 4.3781 8.0974 118.4352 57.6727 40.7841 178.9145 43 S 4.1184 8.0443 115.4378 61.3878 62.7050 176.7934 44 V 3.5890 7.6638 120.5486 66.0626 31.2359 178.0046 45 E 3.9379 8.1949 118.0731 59.6573 29.1610 179.3167 46 E 4.0337 8.1513 117.1762 58.9325 29.6098 178.5280 47 L 4.3793 8.3274 116.8864 53.7252 42.3664 176.6371 48 G 3.9530 7.9039 107.1268 46.1573 0.0000 174.5477 49 V 3.7218 7.8592 119.1725 62.4310 32.4158 174.9673 50 K 4.5921 8.1874 124.0396 55.2582 35.1933 174.8052 51 E 4.1758 8.5481 119.7330 58.2425 29.6802 177.9302 52 G 3.9442 9.1225 112.2745 45.0656 0.0000 173.7604 53 A 4.1767 7.8229 122.1371 52.0573 19.7161 176.3927 54 E 4.7875 8.6371 120.8205 55.5325 30.7431 175.6675 55 L 4.7605 9.0530 123.8428 53.9701 47.2894 174.6227 56 T 5.0824 8.3461 115.3589 61.9124 71.5588 173.8636 57 A 4.5823 9.0259 128.1599 50.9394 20.7683 176.2647 58 V 5.3738 8.2147 120.5391 60.0424 34.8876 174.9108 59 V 4.5153 8.1219 125.8638 60.8227 35.2570 174.3694 60 K 4.2796 8.6589 128.3400 56.1017 33.1447 177.7842 61 S 4.1338 8.7846 121.6270 61.9275 62.9137 176.4998 62 T 4.0368 7.9021 108.3022 63.5858 68.4849 174.2116 63 D 4.6083 8.0227 121.2739 54.1738 41.3407 176.0843 64 V 4.1152 7.5644 120.5604 61.5506 32.0806 175.3788 65 M 4.4932 8.3805 126.7796 54.2822 33.4708 175.3575 66 I 4.4991 8.0511 120.5939 59.3832 39.8125 175.0231 67 L 4.6667 8.4796 125.9278 53.0534 44.3002 175.8271 68 A 4.3431 8.4916 126.7278 52.3246 19.2025 176.0770 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 2 S 8.33 4.42 0.00 3.99 3.94 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 3 I 7.72 4.38 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 1.56 0.91 0.00 0.00 4 S 8.96 4.15 0.00 4.02 3.99 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 5 A 7.21 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 4.04 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 7 N 7.75 4.81 0.00 2.89 2.74 0.00 0.00 6.57 7.29 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 8 Q 8.67 4.50 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 L 8.92 4.67 0.00 1.53 1.57 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.75 4.52 0.00 1.64 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.07 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 0.00 0.00 0.00 12 K 8.77 5.15 0.00 1.80 1.61 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.52 7.81 13 V 8.75 4.28 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 0.98 0.00 0.00 0.99 0.00 0.00 14 V 9.06 4.40 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 0.72 0.00 0.00 0.99 0.00 0.00 15 G 7.78 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 16 L 8.27 5.12 0.00 1.60 1.51 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.21 4.57 0.00 1.82 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 18 K 8.85 4.67 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.61 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 0.00 0.00 0.00 0.00 20 V 8.47 3.91 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.76 4.32 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 0.93 0.00 0.00 0.93 0.00 0.00 22 T 7.72 5.27 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 A 8.97 5.03 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 24 E 9.35 5.03 0.00 1.99 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 2.20 2.22 0.00 25 V 9.10 4.74 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 0.91 0.00 0.00 0.93 0.00 0.00 26 V 8.89 4.87 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 0.76 0.00 0.00 0.93 0.00 0.00 27 L 8.99 5.22 0.00 1.55 1.51 0.92 0.62 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 28 E 9.42 4.79 0.00 1.99 1.81 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 2.27 2.25 0.00 29 I 8.84 5.14 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 1.25 0.59 0.96 0.00 0.00 30 A 8.50 4.09 1.27 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 0.00 0.00 31 G 8.79 3.84 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 0.00 0.00 0.00 32 G 8.02 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 0.00 0.00 0.00 33 N 7.89 4.48 0.00 2.69 2.77 0.00 0.00 6.91 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 34 K 8.58 5.10 0.00 1.59 1.68 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.81 4.59 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 1.23 0.97 0.91 0.00 0.00 36 T 8.55 5.06 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 1.25 0.00 0.00 37 S 9.27 4.75 0.00 3.82 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.98 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 1.40 0.78 0.91 0.00 0.00 39 I 8.39 4.85 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 1.28 0.88 0.91 0.00 0.00 40 S 8.45 4.67 0.00 4.02 4.03 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 0.00 0.00 0.00 41 L 8.84 3.97 0.00 1.73 1.71 0.92 1.37 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 42 D 8.10 4.38 0.00 2.72 2.71 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 43 S 8.04 4.12 0.00 4.03 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 44 V 7.66 3.59 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 1.11 0.00 0.00 0.99 0.00 0.00 45 E 8.19 3.94 0.00 2.23 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 2.33 2.50 0.00 46 E 8.15 4.03 0.00 1.94 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 0.00 2.34 2.47 0.00 47 L 8.33 4.38 0.00 1.63 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.90 3.95 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 0.00 49 V 7.86 3.72 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 0.81 0.00 0.00 0.93 0.00 0.00 50 K 8.19 4.59 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.46 7.81 51 E 8.55 4.18 0.00 1.98 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 2.32 0.00 52 G 9.12 3.94 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 0.00 0.00 0.00 53 A 7.82 4.18 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 54 E 8.64 4.79 0.00 1.86 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 2.27 2.33 0.00 55 L 9.05 4.76 0.00 1.52 1.52 0.92 0.39 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 56 T 8.35 5.08 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 1.24 0.00 0.00 57 A 9.03 4.58 1.26 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 0.00 0.00 58 V 8.21 5.37 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 0.77 0.00 0.00 0.93 0.00 0.00 59 V 8.12 4.52 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.66 4.28 0.00 1.83 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.78 4.13 0.00 3.92 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 62 T 7.90 4.04 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 1.21 0.00 0.00 63 D 8.02 4.61 0.00 2.84 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 64 V 7.56 4.12 2.18 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 0.78 0.00 0.00 0.98 0.00 0.00 65 M 8.38 4.49 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 66 I 8.05 4.50 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 1.30 0.88 0.91 0.00 0.00 67 L 8.48 4.67 0.00 1.54 1.51 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.49 4.34 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