NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4189 8.2644 123.5835 51.2235 21.6741 176.6703 3 K 4.2321 8.3203 127.0025 57.9107 40.3500 174.7243 4 H 4.5567 10.8295 115.6177 55.9571 29.0351 175.7813 5 P 4.3338 0.0000 0.0000 63.4501 32.0178 175.8786 6 V 4.5892 8.0064 115.5900 58.3759 35.5036 173.3802 7 P 4.4977 0.0000 0.0000 62.3293 31.9795 176.7556 8 K 4.1181 8.5681 121.9890 59.1793 32.5132 176.7557 9 K 4.5629 7.3981 114.9683 54.5578 35.9632 175.0732 10 K 4.1012 8.4494 122.9115 56.1488 32.6083 176.9807 11 T 3.9725 8.3690 117.1636 61.4447 69.4205 174.8153 12 S 4.4432 8.3583 119.6444 58.0025 65.4024 175.3698 13 K 3.9793 8.4556 120.2961 59.1924 31.5749 179.3808 14 A 4.0104 7.8833 119.8915 54.4388 18.3321 178.8392 15 R 4.0971 7.8200 117.1114 58.5922 30.3464 178.6154 16 R 3.7897 8.1488 118.7699 59.3497 30.1269 178.0749 17 D 4.4195 8.1752 116.5231 56.3578 41.0166 177.2906 18 A 4.3589 7.1393 120.8431 53.5673 19.7100 178.6239 19 R 4.0603 7.7162 115.7042 59.4622 30.5326 177.4083 20 R 4.1107 7.6794 117.0762 55.9719 29.6923 177.0397 21 S 4.4353 7.9124 113.2654 60.3009 64.4429 174.8172 22 H 4.7104 8.0189 114.9113 56.0910 28.7879 175.7361 23 H 4.2510 8.3679 117.9855 58.2210 28.8942 176.0354 24 A 3.8678 8.0318 120.3713 52.7447 18.3629 177.2403 25 L 4.3824 8.3505 122.6860 54.1534 42.9313 176.1253 26 T 4.5232 8.0632 110.0598 58.9119 70.1437 172.3430 27 P 4.2903 0.0000 0.0000 61.7027 31.7027 174.1121 28 P 4.3158 0.0000 0.0000 63.2590 31.6716 175.6597 29 T 4.4028 8.3074 111.4354 61.1831 69.5865 173.9096 30 L 5.0900 8.4401 125.1261 53.0860 45.9515 175.9993 31 V 4.6196 8.7424 114.0492 58.9558 36.4638 173.3346 32 P 4.9220 0.0000 0.0000 62.3716 32.4948 175.1517 33 C 4.5697 8.6109 121.8677 57.2194 32.6722 172.7768 34 P 4.2957 0.0000 0.0000 65.3198 31.3885 176.5419 35 E 4.4527 7.4858 116.6607 51.8547 28.3241 173.1193 36 C 4.2590 8.1434 113.0461 55.4997 29.4700 173.8995 37 K 3.6125 8.5494 120.3259 55.1697 31.6592 177.0523 38 A 3.7895 8.2525 122.8357 52.3850 15.9996 175.7065 39 M 4.8766 8.3271 123.0594 55.7711 32.6163 176.3721 40 K 4.8432 9.4784 123.1146 53.9811 36.9712 173.8998 41 P 4.8009 0.0000 0.0000 62.2724 31.2786 174.4921 42 P 4.2053 0.0000 0.0000 64.0399 31.5003 175.9305 43 H 4.2550 8.6799 113.4678 56.5968 26.3310 174.3082 44 T 4.6676 7.4149 107.3653 59.5235 71.4136 173.3932 45 V 4.2005 8.2076 121.5533 61.7237 31.8876 174.1295 46 C 3.7116 8.8488 128.2982 58.5959 30.8312 172.5061 47 P 4.4076 0.0000 0.0000 64.6816 31.0397 176.5867 48 E 4.4590 7.9022 117.6940 57.9794 31.0916 176.8153 49 C 4.2326 7.8366 114.6197 61.3642 29.0653 174.3298 50 G 3.9615 8.7309 106.5889 45.8532 0.0000 172.2198 51 Y 3.6798 8.0001 119.4643 55.2063 39.8366 176.7166 52 Y 4.1340 6.5603 118.9279 57.1115 36.4145 172.5212 53 A 3.6264 8.3542 129.6786 52.9431 15.6252 176.2998 54 G 3.9494 8.1948 105.1376 44.6033 0.0000 171.2362 55 R 3.8788 8.1279 123.4660 56.3470 30.9726 176.0738 56 K 4.2006 7.8169 118.0697 57.0201 35.0579 173.6865 57 V 3.5586 8.4778 117.0217 64.5846 31.5303 176.7035 58 L 4.4084 7.0369 116.8304 54.9246 45.0011 173.0110 59 E 4.6268 8.4054 118.4220 55.6647 33.3973 176.0921 60 V 3.9587 8.2799 118.3223 62.3380 31.7562 175.6427 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 A 8.26 4.42 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 3 K 8.32 4.23 0.00 1.73 1.47 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.54 7.81 4 H 10.83 4.56 0.00 3.17 2.85 0.00 5.78 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.33 0.00 2.04 1.99 0.00 3.64 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 2.01 2.06 0.00 6 V 8.01 4.59 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 0.90 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.50 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 8 K 8.57 4.12 0.00 1.72 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.40 4.56 0.00 1.74 1.64 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.42 7.81 10 K 8.45 4.10 0.00 1.71 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 11 T 8.37 3.97 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 12 S 8.36 4.44 0.00 4.07 4.06 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 0.00 0.00 0.00 0.00 13 K 8.46 3.98 0.00 1.82 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.50 7.81 14 A 7.88 4.01 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 15 R 7.82 4.10 0.00 1.92 1.92 0.00 3.09 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 16 R 8.15 3.79 0.00 1.91 2.01 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 17 D 8.18 4.42 0.00 2.91 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 18 A 7.14 4.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.06 0.00 1.84 2.11 0.00 3.30 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 20 R 7.68 4.11 0.00 1.75 1.67 0.00 3.18 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.75 0.00 21 S 7.91 4.44 0.00 3.87 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 22 H 8.02 4.71 0.00 3.18 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.37 4.25 0.00 3.11 3.39 0.00 5.94 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 24 A 8.03 3.87 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 25 L 8.35 4.38 0.00 1.64 1.63 0.93 0.86 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 26 T 8.06 4.52 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 1.22 0.00 0.00 27 P 0.00 4.29 0.00 2.20 2.14 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 28 P 0.00 4.32 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 29 T 8.31 4.40 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 1.22 0.00 0.00 30 L 8.44 5.09 0.00 1.49 1.55 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.74 4.62 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 0.79 0.00 0.00 0.91 0.00 0.00 32 P 0.00 4.92 0.00 1.92 1.98 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 33 C 8.61 4.57 0.00 3.00 2.77 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 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.12 2.13 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 35 E 7.49 4.45 0.00 2.00 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 2.28 2.40 0.00 36 C 8.14 4.26 0.00 3.15 3.27 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 37 K 8.55 3.61 0.00 1.96 1.91 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.44 7.81 38 A 8.25 3.79 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 39 M 8.33 4.88 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 40 K 9.48 4.84 0.00 1.78 1.85 0.00 1.22 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.42 7.81 41 P 0.00 4.80 0.00 2.12 2.14 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 42 P 0.00 4.21 0.00 2.15 2.22 0.00 3.94 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 43 H 8.68 4.26 0.00 3.39 3.50 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.41 4.67 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 1.31 0.00 0.00 45 V 8.21 4.20 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 0.80 0.00 0.00 0.61 0.00 0.00 46 C 8.85 3.71 0.00 3.01 2.98 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 47 P 0.00 4.41 0.00 2.22 2.18 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 48 E 7.90 4.46 0.00 1.90 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 2.24 2.28 0.00 49 C 7.84 4.23 0.00 2.97 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 50 G 8.73 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 51 Y 8.00 3.68 0.00 2.52 2.24 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 52 Y 6.56 4.13 0.00 3.12 3.19 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 53 A 8.35 3.63 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 55 R 8.13 3.88 0.00 1.67 1.81 0.00 3.29 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 56 K 7.82 4.20 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.53 7.81 57 V 8.48 3.56 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 0.97 0.00 0.00 58 L 7.04 4.41 0.00 1.61 1.50 0.92 0.80 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 59 E 8.41 4.63 0.00 1.89 1.84 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 2.21 2.24 0.00 60 V 8.28 3.96 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 0.71 0.00 0.00 0.94 0.00 0.00