NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3739 0.0000 0.0000 62.2539 32.8155 175.6408 17 S 4.2195 8.4128 116.3294 57.4646 63.1364 172.3977 18 R 4.5384 8.9563 126.2114 55.3580 33.6182 174.7404 19 K 4.4101 8.3629 119.0366 56.8883 36.7867 175.5355 20 A 4.3107 6.8444 119.4275 48.1487 21.4555 175.4830 21 K 4.0346 8.1987 120.0613 55.2327 33.2228 176.2601 22 V 4.9574 8.1672 110.6301 60.1731 34.9851 177.3895 23 K 3.4209 8.3843 119.9548 58.6302 31.9233 176.5639 24 A 4.7704 7.7539 119.3707 52.4642 19.7383 177.5260 25 T 4.0209 9.1552 119.1721 67.1878 68.7082 174.7641 26 L 4.9816 7.6201 120.5022 53.0117 45.0965 176.2343 27 G 3.8325 9.1631 113.6545 45.8732 0.0000 174.4973 28 E 3.6561 7.2177 117.6544 56.4406 26.7980 175.3148 29 F 5.1452 8.2858 125.4794 55.8920 42.1101 173.8164 30 D 4.3799 8.8055 127.5455 53.3329 41.5388 176.1837 31 L 3.4238 7.9842 126.7706 57.2986 42.2230 178.5851 32 R 4.2746 7.0529 117.6277 55.3442 27.8124 175.6347 33 D 3.6062 6.4908 121.8363 54.8000 44.2759 174.0850 34 Y 5.1594 7.7434 121.3215 58.5739 38.1522 175.6787 35 R 4.5978 7.8801 118.6395 56.3875 30.2604 176.5755 36 N 5.4777 8.1766 114.0216 56.0709 38.4146 176.9055 37 V 3.1799 6.7340 118.8001 64.8641 33.3043 176.7316 38 E 3.7243 7.6968 116.0079 59.9706 28.9078 178.9222 39 V 3.3914 7.7849 116.7051 65.3982 31.7451 177.9143 40 L 4.2090 7.9954 116.9340 58.2521 41.6353 179.3145 41 K 4.2321 8.3556 118.4282 59.6460 31.8487 180.1189 42 R 4.0395 7.3414 117.2235 55.3086 30.7804 177.9593 43 F 4.7265 9.6360 112.9350 58.4988 43.1018 176.3901 44 L 4.2052 8.0807 124.3162 56.6037 41.5796 177.7095 45 S 3.6250 7.7461 113.5813 59.6949 61.9487 171.8701 46 E 4.3074 8.4742 114.3763 58.5296 30.6695 177.4355 47 T 4.5493 7.1146 114.4194 65.4414 68.7361 175.3175 48 G 4.2635 8.0530 103.5004 46.1495 0.0000 176.2984 49 K 4.4371 7.2101 120.8654 55.6827 31.6282 179.3645 50 I 4.4894 8.0595 124.1833 60.3209 39.5280 173.9162 51 L 4.2252 9.4331 127.6351 54.0673 40.9741 175.1190 52 P 4.1888 0.0000 0.0000 62.0466 32.2918 177.1215 53 R 4.1589 8.9438 117.5983 59.6135 29.8743 179.0290 54 R 3.9826 8.0390 115.8236 58.7514 30.5044 176.3624 55 R 4.6741 9.5242 113.3214 58.1803 35.5009 177.0358 56 T 4.1262 8.3167 106.0491 62.4823 69.8418 174.6083 57 G 3.8974 7.6854 111.5834 46.9128 0.0000 174.5092 58 L 4.5991 6.9451 118.8694 53.4181 43.8923 176.5006 59 S 4.1973 8.0761 119.0425 54.5942 66.0602 175.4339 60 G 3.8935 9.0086 108.3984 48.2177 0.0000 175.2978 61 K 3.8216 7.4490 122.9071 60.1195 32.0074 177.6334 62 E 4.0154 8.6379 119.2704 58.1478 29.1961 178.8814 63 Q 3.9132 8.3247 117.4345 59.8126 29.1898 179.5698 64 R 4.0218 8.5428 118.4284 58.3420 29.7080 178.6155 65 I 3.6379 7.1145 115.5717 64.4268 37.8658 178.2294 66 L 3.7895 7.8271 120.4096 58.9466 40.3772 178.5549 67 A 3.9237 8.1818 121.8586 54.7123 18.1032 179.6222 68 K 4.0510 8.4650 116.8474 59.8422 32.6132 178.9170 69 T 3.9194 8.2035 116.0642 66.4752 68.3111 176.6602 70 I 3.6983 8.0211 122.4153 65.2987 37.1182 177.3307 71 K 3.8926 8.6718 117.6454 58.9252 31.6486 179.8265 72 R 3.8009 8.6709 118.2313 59.4759 30.5040 178.1608 73 A 4.0658 8.7076 121.2585 55.3612 18.3468 179.6029 74 R 4.0939 8.6618 115.2074 58.9605 30.3099 179.0857 75 I 3.3004 8.3438 111.1905 65.3659 37.1945 176.6977 76 L 3.9987 5.9705 125.8389 58.3856 42.7945 177.1132 77 G 4.0653 8.6746 102.8804 44.7011 0.0000 171.5780 78 L 3.3691 8.0802 114.7069 53.1066 37.7416 172.6188 79 L 4.5692 7.4119 121.7010 53.7856 41.4196 173.5806 80 P 3.8211 0.0000 0.0000 64.5236 31.5307 176.6316 81 F 3.7121 7.7702 113.2936 58.6140 37.0934 174.9012 82 T 4.4333 7.9115 114.4820 62.7310 68.0563 169.8661 83 E 4.8104 8.7833 122.3853 55.2901 32.1557 175.4119 84 K 3.9171 8.6547 123.1687 56.6297 32.4121 175.5766 85 L 4.3432 8.4124 125.7927 53.6860 43.1511 175.6273 86 V 4.1648 9.4525 125.3639 62.1030 31.6590 174.5516 87 R 4.8323 8.8902 135.0000 55.2684 28.5526 173.7220 88 K 5.1510 6.5984 125.2924 55.6863 32.8884 175.0329 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 16 P 0.00 4.37 0.00 2.07 2.06 0.00 3.64 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 1.93 2.08 0.00 17 S 8.41 4.22 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.96 4.54 0.00 1.77 1.79 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 19 K 8.36 4.41 0.00 1.69 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.40 7.81 20 A 6.84 4.31 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 21 K 8.20 4.03 0.00 1.88 1.81 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.51 7.81 22 V 8.17 4.96 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 0.51 0.00 0.00 1.07 0.00 0.00 23 K 8.38 3.42 0.00 1.97 1.91 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.54 7.81 24 A 7.75 4.77 1.25 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 0.00 0.00 0.00 25 T 9.16 4.02 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 1.09 0.00 0.00 26 L 7.62 4.98 0.00 1.43 1.44 0.88 0.69 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 27 G 9.16 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.22 3.66 0.00 2.02 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 0.00 2.31 2.36 0.00 29 F 8.29 5.15 0.00 3.01 2.91 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 30 D 8.81 4.38 0.00 2.59 2.47 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 0.00 0.00 0.00 0.00 31 L 7.98 3.42 0.00 1.44 1.49 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.05 4.27 0.00 2.19 1.81 0.00 3.29 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 33 D 6.49 3.61 0.00 2.37 2.32 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 34 Y 7.74 5.16 0.00 3.24 3.24 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 0.00 35 R 7.88 4.60 0.00 2.02 2.11 0.00 3.25 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 36 N 8.18 5.48 0.00 3.27 2.83 0.00 0.00 6.80 8.37 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 37 V 6.73 3.18 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 1.05 0.00 0.00 0.96 0.00 0.00 38 E 7.70 3.72 0.00 2.12 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 2.28 2.28 0.00 39 V 7.78 3.39 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 0.35 0.00 0.00 0.43 0.00 0.00 40 L 8.00 4.21 0.00 1.86 1.85 1.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.36 4.23 0.00 2.04 1.88 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 42 R 7.34 4.04 0.00 1.55 1.26 0.00 3.05 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 43 F 9.64 4.73 0.00 3.18 3.07 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 0.00 0.00 0.00 0.00 44 L 8.08 4.21 0.00 1.91 1.98 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.75 3.63 0.00 4.17 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 46 E 8.47 4.31 0.00 1.97 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 2.26 2.38 0.00 47 T 7.11 4.55 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 1.30 0.00 0.00 48 G 8.05 4.26 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 0.00 49 K 7.21 4.44 0.00 1.61 1.70 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.49 7.81 50 I 8.06 4.49 1.91 0.00 0.00 0.88 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 0.62 0.94 0.00 0.00 51 L 9.43 4.23 0.00 1.66 1.77 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.19 0.00 2.19 2.29 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 53 R 8.94 4.16 0.00 1.87 2.07 0.00 3.34 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 54 R 8.04 3.98 0.00 1.76 2.02 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 55 R 9.52 4.67 0.00 1.99 1.91 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 56 T 8.32 4.13 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 1.57 0.00 0.00 57 G 7.69 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 58 L 6.95 4.60 0.00 2.01 1.55 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.08 4.20 0.00 4.01 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 60 G 9.01 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.45 3.82 0.00 2.05 1.83 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 62 E 8.64 4.02 0.00 2.38 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 2.32 2.38 0.00 63 Q 8.32 3.91 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 64 R 8.54 4.02 0.00 2.10 1.76 0.00 3.13 0.00 0.00 3.21 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 65 I 7.11 3.64 1.80 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 1.81 0.61 0.87 0.00 0.00 66 L 7.83 3.79 0.00 1.60 1.73 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.18 3.92 1.44 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 0.00 0.00 68 K 8.46 4.05 0.00 1.86 1.95 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 69 T 8.20 3.92 4.33 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 1.36 0.00 0.00 70 I 8.02 3.70 1.97 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 1.43 0.83 0.95 0.00 0.00 71 K 8.67 3.89 0.00 2.14 1.75 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.76 7.81 72 R 8.67 3.80 0.00 2.09 2.06 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 73 A 8.71 4.07 1.49 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 74 R 8.66 4.09 0.00 2.21 2.90 0.00 3.57 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 75 I 8.34 3.30 2.25 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.92 0.00 0.00 76 L 5.97 4.00 0.00 1.59 1.69 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.67 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.08 3.37 0.00 1.83 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.41 4.57 0.00 1.88 1.96 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.82 0.00 2.40 2.12 0.00 3.75 0.00 0.00 3.63 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 81 F 7.77 3.71 0.00 3.13 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.91 4.43 4.37 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 1.46 0.00 0.00 83 E 8.78 4.81 0.00 2.03 1.72 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 2.11 2.22 0.00 84 K 8.65 3.92 0.00 1.79 1.78 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 85 L 8.41 4.34 0.00 1.59 1.56 0.93 0.94 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 86 V 9.45 4.16 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 0.85 0.00 0.00 0.93 0.00 0.00 87 R 8.89 4.83 0.00 1.92 1.92 0.00 3.30 0.00 0.00 3.15 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.00 88 K 6.60 5.15 0.00 1.81 1.84 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81