NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1514 8.3101 121.7864 54.4906 34.0738 175.1630 20 A 5.0639 7.4422 134.7039 51.7909 18.8980 174.5734 21 K 4.2773 7.9524 121.1402 56.4910 34.2959 175.6428 22 V 4.6456 7.6702 115.9645 61.9504 33.1597 177.2217 23 K 3.7805 7.3666 120.5364 58.9769 32.2636 176.7686 24 A 4.5458 7.6791 118.9928 52.4193 20.6025 177.8444 25 T 4.0332 7.5725 112.5361 65.2272 68.6054 173.6917 26 L 4.6895 7.3349 119.7095 52.9669 46.2870 177.8483 27 G 3.9159 8.2171 109.1023 45.3155 0.0000 172.1758 28 E 4.4544 8.6184 118.8499 55.5333 30.8100 175.7837 29 F 5.0594 8.8866 116.2542 55.4181 41.2740 174.4976 30 D 4.4959 8.3881 123.0005 52.6786 39.3594 177.8061 31 L 3.6117 6.8968 120.6660 55.1297 39.7839 178.7854 32 R 4.2837 8.2610 121.6027 57.3611 31.5669 175.8926 33 D 4.4351 7.7336 116.3660 54.3243 41.8216 174.3494 34 Y 4.9941 6.9961 119.1857 56.3865 38.6242 176.2700 35 R 4.6786 7.8256 115.4329 57.3332 34.7999 176.6917 36 N 4.3568 8.6178 114.5686 55.0828 37.3068 181.2286 37 V 2.7375 7.9010 109.2706 61.1547 34.0924 176.8465 38 E 3.9766 8.3245 127.3668 60.2225 30.4752 178.7744 39 V 3.6581 8.3425 118.1133 66.6663 31.4166 177.7430 40 L 4.1789 8.2742 117.2650 58.6277 41.5467 179.8865 41 K 4.2581 8.7755 118.9635 59.4051 32.3251 177.7921 42 R 4.0169 7.7812 118.2879 59.1667 30.9268 179.4170 43 F 4.7312 9.0162 119.4328 57.0047 39.2667 175.9771 44 L 5.8405 9.0876 119.3197 53.6640 42.9484 179.9963 45 S 4.9444 8.7196 124.9175 59.1438 66.3171 177.2467 46 E 4.6355 8.3339 123.1694 57.2712 29.1278 177.4390 47 T 5.4030 7.6206 108.2971 60.4448 71.6327 175.4161 48 G 4.1865 8.4900 108.8206 44.9389 0.0000 173.3333 49 K 3.9962 7.8018 119.8979 56.0544 32.3973 176.3794 50 I 4.3257 8.2283 124.5910 60.7518 37.1718 175.7603 51 L 4.1457 8.1879 128.0902 54.9657 42.2093 176.1606 52 P 4.5786 0.0000 0.0000 62.1019 33.1202 177.2439 53 R 4.3910 8.8661 120.7963 59.3770 29.6676 179.0097 54 R 3.8803 7.8953 115.4907 59.7310 30.5817 178.4737 55 R 4.1854 7.9407 116.9938 59.4298 29.6336 178.3948 56 T 4.0536 8.4375 110.5002 62.9914 68.5231 175.7751 57 G 4.1682 8.8241 113.0255 44.3240 0.0000 173.9537 58 L 4.1106 7.6054 118.3935 54.6888 42.6527 178.7866 59 S 4.4010 9.3413 116.1145 58.6020 64.0865 173.6954 60 A 4.0147 8.6315 121.0977 54.8120 17.7034 179.4397 61 K 3.7312 8.0251 116.7318 59.4664 32.0858 178.6224 62 E 3.9040 8.0648 117.8208 58.7965 29.8905 177.9195 63 Q 3.9358 7.8314 119.2136 60.2779 28.9759 178.8428 64 R 4.0350 7.9788 119.5575 58.1839 29.8437 178.5129 65 I 3.7813 7.4474 115.4792 64.7625 37.7002 177.5012 66 L 4.0715 8.6206 123.6472 56.5632 41.8351 178.2839 67 A 3.8717 8.3029 120.5871 55.5520 18.0114 179.6263 68 K 3.8002 8.4650 116.9874 59.9184 32.3500 179.4326 69 T 4.0405 7.8598 108.8871 63.7642 68.7923 176.8893 70 I 3.8131 7.8176 123.9862 64.3665 37.0620 178.2097 71 K 3.8451 7.8929 117.4425 60.0662 31.9676 178.3128 72 R 3.7317 7.7930 117.7023 58.5615 29.6025 178.2162 73 A 3.6907 7.9824 120.1800 55.7269 18.5150 179.5059 74 R 3.8574 7.7542 116.3005 59.9356 30.1185 178.0446 75 I 4.3257 8.5931 117.3471 61.9842 37.6520 176.1760 76 L 4.6879 8.9471 122.5719 54.7930 42.2132 177.2227 77 G 3.9899 8.4467 103.5425 46.5445 0.0000 174.5738 78 L 4.4382 7.8271 117.1723 54.8018 42.0627 176.9463 79 L 4.4014 7.5467 118.8266 52.7766 45.0624 173.0498 80 P 4.3836 0.0000 0.0000 62.9352 31.3434 177.3602 81 F 3.8395 9.3509 122.9030 58.5005 39.2040 175.5795 82 T 5.1811 6.6067 118.7949 61.9541 70.7592 170.8477 83 E 4.7292 7.5147 122.5220 55.0716 32.4297 174.6134 84 K 4.5893 8.2187 119.3423 54.9331 33.6284 177.6514 85 L 4.3576 7.9598 121.4531 56.0669 42.7150 177.1214 86 V 4.3678 8.0038 111.5337 62.3133 32.3675 174.0468 87 R 4.1876 8.0328 120.5164 55.6599 30.6740 175.6420 88 K 4.1600 8.2199 120.2928 56.5594 32.5574 175.7409 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 19 K 8.31 4.15 0.00 1.70 1.90 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 20 A 7.44 5.06 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 21 K 7.95 4.28 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.36 7.81 22 V 7.67 4.65 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.79 0.00 0.00 23 K 7.37 3.78 0.00 1.96 1.85 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 A 7.68 4.55 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 7.57 4.03 4.15 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 0.00 0.00 0.00 1.09 0.00 0.00 26 L 7.33 4.69 0.00 1.32 1.30 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.22 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.45 0.00 2.17 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 2.33 0.00 29 F 8.89 5.06 0.00 3.11 2.89 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 30 D 8.39 4.50 0.00 2.73 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 31 L 6.90 3.61 0.00 0.95 0.13 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.26 4.28 0.00 1.58 2.03 0.00 3.29 0.00 0.00 3.10 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 33 D 7.73 4.44 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.00 4.99 0.00 3.04 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 35 R 7.83 4.68 0.00 1.74 1.89 0.00 3.15 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.17 0.00 36 N 8.62 4.36 0.00 2.95 3.09 0.00 0.00 6.43 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 37 V 7.90 2.74 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 0.87 0.00 0.00 1.01 0.00 0.00 38 E 8.32 3.98 0.00 1.98 2.04 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 2.35 2.45 0.00 39 V 8.34 3.66 2.28 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 1.41 0.00 0.00 1.07 0.00 0.00 40 L 8.27 4.18 0.00 1.87 1.72 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.78 4.26 0.00 1.70 2.14 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.59 7.81 42 R 7.78 4.02 0.00 1.82 1.75 0.00 3.03 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.00 43 F 9.02 4.73 0.00 3.07 3.10 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 44 L 9.09 5.84 0.00 1.73 1.18 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.72 4.94 0.00 4.12 4.15 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 0.00 0.00 0.00 0.00 46 E 8.33 4.64 0.00 1.99 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 2.31 2.24 0.00 47 T 7.62 5.40 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 1.27 0.00 0.00 48 G 8.49 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.00 0.00 1.82 1.77 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.57 7.81 50 I 8.23 4.33 1.86 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 1.30 0.68 0.91 0.00 0.00 51 L 8.19 4.15 0.00 1.63 1.71 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.13 2.19 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 53 R 8.87 4.39 0.00 1.89 2.08 0.00 3.46 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 54 R 7.90 3.88 0.00 1.79 2.03 0.00 3.20 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 55 R 7.94 4.19 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 56 T 8.44 4.05 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 57 G 8.82 4.17 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 0.00 58 L 7.61 4.11 0.00 1.70 1.85 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.34 4.40 0.00 3.86 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 0.00 60 A 8.63 4.01 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 61 K 8.03 3.73 0.00 1.83 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.56 7.81 62 E 8.06 3.90 0.00 2.12 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 0.00 2.40 2.42 0.00 63 Q 7.83 3.94 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 64 R 7.98 4.03 0.00 1.82 1.84 0.00 3.19 0.00 0.00 3.21 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 65 I 7.45 3.78 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.87 0.00 0.00 66 L 8.62 4.07 0.00 1.59 1.84 0.51 0.66 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 67 A 8.30 3.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.80 0.00 1.76 1.84 0.00 1.51 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 7.86 4.04 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 1.23 0.00 0.00 70 I 7.82 3.81 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.84 0.00 0.00 71 K 7.89 3.85 0.00 1.79 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.44 7.81 72 R 7.79 3.73 0.00 2.01 1.56 0.00 2.99 0.00 0.00 2.76 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 73 A 7.98 3.69 1.46 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 0.00 0.00 0.00 0.00 0.00 74 R 7.75 3.86 0.00 1.81 1.72 0.00 2.21 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 75 I 8.59 4.33 2.01 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 1.66 0.96 0.95 0.00 0.00 76 L 8.95 4.69 0.00 1.73 1.67 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.45 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 0.00 0.00 0.00 78 L 7.83 4.44 0.00 1.80 1.77 1.04 0.99 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 79 L 7.55 4.40 0.00 1.69 1.53 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.38 0.00 2.23 2.08 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 81 F 9.35 3.84 0.00 2.89 3.18 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 0.00 0.00 0.00 0.00 82 T 6.61 5.18 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 1.29 0.00 0.00 83 E 7.51 4.73 0.00 2.16 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 0.00 2.35 2.50 0.00 84 K 8.22 4.59 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.37 7.81 85 L 7.96 4.36 0.00 1.59 1.63 0.93 0.85 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 86 V 8.00 4.37 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 0.75 0.00 0.00 1.04 0.00 0.00 87 R 8.03 4.19 0.00 2.00 1.97 0.00 3.23 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.22 4.16 0.00 1.69 1.59 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81