NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.1254 7.9133 120.3112 61.8130 33.6748 177.5908 13 S 3.9145 8.0445 116.6008 61.0507 62.6387 175.1223 14 I 3.7466 7.8462 122.2575 64.1712 37.3459 177.6545 15 E 3.9044 8.0915 119.7192 59.2125 29.5684 178.7811 16 K 3.9300 8.3107 118.4828 59.5008 32.1463 179.1893 17 A 4.0202 7.7513 120.7787 55.1018 18.2918 179.7015 18 I 3.6404 7.9919 118.5333 64.6055 37.1422 178.8872 19 V 3.6045 7.8089 119.0432 65.9078 31.3551 177.9892 20 R 3.8602 8.0283 118.5714 59.5646 29.9265 177.9307 21 H 4.0332 8.3517 117.9578 59.4713 29.9349 176.7838 22 D 4.4384 8.2270 120.5985 57.5551 40.7365 178.7533 23 E 3.9657 8.3342 118.9951 59.6169 29.4325 179.7745 24 R 3.9209 7.9470 117.9887 59.1606 30.1330 179.3186 25 V 3.5721 7.8450 118.1203 65.7951 31.4845 177.9604 26 K 3.9407 8.6229 119.8032 59.4714 32.0052 178.5859 27 S 4.0606 8.0410 113.0074 61.3354 62.3107 176.1168 28 A 3.9302 7.8024 122.9869 55.0836 18.1027 178.9072 29 N 4.2212 8.6542 115.8962 57.2581 39.0365 176.8388 30 D 4.3269 8.5569 120.2661 57.1336 40.8493 178.6274 31 A 4.0269 8.0222 121.4568 55.1668 18.2902 179.7874 32 I 3.6597 7.8669 118.2718 64.7013 37.2146 178.8609 33 S 4.1037 8.2958 116.1640 61.3124 62.6191 176.6618 34 K 3.8792 8.5378 122.7865 59.4519 31.7471 178.4602 35 L 4.0598 7.6716 119.2903 58.2747 42.0190 177.9798 36 N 4.3948 8.1975 116.1404 56.8549 38.9056 176.1047 37 E 4.2943 7.8526 119.6050 57.8690 29.7858 176.8298 38 K 4.1404 7.4595 119.9866 55.1519 34.1926 174.5883 39 D 4.4562 8.6870 127.6479 54.1936 41.1768 175.7527 40 S 4.7563 8.1974 120.7307 55.6823 67.6227 174.7108 41 I 3.6618 8.2329 123.1574 64.5426 36.8121 178.2582 42 E 3.9210 8.1247 119.5912 59.5142 29.5610 178.5425 43 N 4.3543 8.3022 116.4280 56.1850 38.5263 177.7238 44 R 3.9457 8.2387 119.8213 59.2390 30.0926 179.3506 45 R 3.9225 8.1724 117.9031 59.2147 30.0265 179.0488 46 L 3.9729 8.1628 118.7376 57.6974 41.5236 179.5184 47 A 3.9500 8.0878 120.6236 55.2572 18.3414 179.4626 48 Q 3.8838 8.2068 118.1611 59.1325 29.0747 178.4589 49 R 3.8527 8.3626 120.1101 59.6616 29.9996 178.4639 50 E 3.9840 8.1685 117.0961 59.1986 29.7121 179.1902 51 V 3.7310 8.1317 118.7343 66.2216 31.4058 177.9005 52 N 4.3975 8.1413 114.8131 55.8551 38.4334 176.6201 53 K 4.2707 7.6889 117.1061 55.8840 32.7123 177.0332 54 A 4.2306 7.0923 122.6037 50.7395 19.4247 175.7424 55 P 4.3202 0.0000 0.0000 62.7257 32.0589 177.6962 56 M 4.0660 8.7783 121.4504 58.8233 31.8763 178.2682 57 D 4.4636 8.1642 117.7537 55.3361 39.9661 177.6039 58 V 4.3537 7.5311 111.4257 60.5485 32.6114 177.1875 59 K 3.8859 7.7069 121.4080 59.4906 31.9753 178.0493 60 E 3.9077 8.1842 119.0291 59.5680 29.5580 178.0103 61 H 4.0553 8.2258 117.6022 59.4518 29.9198 177.0657 62 L 4.0058 7.9547 120.7018 57.7272 41.4228 179.3163 63 Q 3.9547 8.5018 120.0366 59.0442 29.0070 178.3417 64 K 3.9443 8.2843 119.8278 59.3873 32.0679 179.0753 65 Q 3.8736 8.1046 119.7314 58.9986 28.9385 177.8146 66 L 3.8950 8.1569 121.6711 58.4624 42.0427 178.4698 67 D 4.3450 8.5879 118.7016 57.5213 40.7196 178.9203 68 A 3.9550 8.0969 120.9751 55.0174 18.3665 179.4489 69 L 3.8737 7.9300 118.8266 58.4903 42.2234 179.7039 70 V 3.7029 8.1661 112.4614 64.1359 31.4207 178.3649 71 A 3.9981 8.2710 120.9311 55.0974 18.2516 179.4315 72 Q 3.8558 8.2746 118.0662 59.3746 29.2579 178.6493 73 K 3.9624 8.4339 119.8421 59.6770 31.8728 179.1043 74 D 4.3666 8.4476 118.1615 57.2742 40.7615 178.4299 75 A 4.1386 7.8364 120.5890 55.2036 18.4700 179.3376 76 E 4.0602 7.9826 116.0052 59.0297 29.5505 177.9231 77 K 4.2953 7.7215 122.4356 56.6092 32.3210 176.6151 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 12 V 7.91 4.13 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 0.73 0.00 0.00 0.93 0.00 0.00 13 S 8.04 3.91 0.00 3.97 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 14 I 7.85 3.75 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 1.52 0.62 0.90 0.00 0.00 15 E 8.09 3.90 0.00 2.03 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 0.00 2.38 2.40 0.00 16 K 8.31 3.93 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.61 7.81 17 A 7.75 4.02 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 18 I 7.99 3.64 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.91 0.00 0.00 19 V 7.81 3.60 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 1.07 0.00 0.00 0.98 0.00 0.00 20 R 8.03 3.86 0.00 2.07 2.06 0.00 3.32 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 21 H 8.35 4.03 0.00 3.37 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.23 4.44 0.00 2.93 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 23 E 8.33 3.97 0.00 2.20 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 2.33 2.58 0.00 24 R 7.95 3.92 0.00 1.94 1.93 0.00 3.11 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 25 V 7.84 3.57 2.10 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 1.01 0.00 0.00 0.96 0.00 0.00 26 K 8.62 3.94 0.00 1.91 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.45 7.81 27 S 8.04 4.06 0.00 3.96 3.97 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 0.00 0.00 0.00 28 A 7.80 3.93 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 29 N 8.65 4.22 0.00 2.80 2.99 0.00 0.00 7.29 8.35 0.00 0.00 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 8.56 4.33 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.03 1.39 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 0.00 0.00 0.00 32 I 7.87 3.66 2.02 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 1.52 0.78 0.91 0.00 0.00 33 S 8.30 4.10 0.00 3.98 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 34 K 8.54 3.88 0.00 1.88 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 L 7.67 4.06 0.00 1.67 1.90 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.20 4.39 0.00 2.72 3.02 0.00 0.00 7.21 8.51 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 37 E 7.85 4.29 0.00 2.03 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 0.00 2.32 2.31 0.00 38 K 7.46 4.14 0.00 1.73 1.65 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.37 7.81 39 D 8.69 4.46 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.76 0.00 4.01 3.88 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 0.00 0.00 0.00 0.00 41 I 8.23 3.66 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 1.52 0.83 0.91 0.00 0.00 42 E 8.12 3.92 0.00 2.07 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 2.38 2.46 0.00 43 N 8.30 4.35 0.00 2.90 2.85 0.00 0.00 7.07 6.94 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 44 R 8.24 3.95 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 45 R 8.17 3.92 0.00 1.99 1.97 0.00 3.13 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 1.65 1.80 0.00 46 L 8.16 3.97 0.00 1.68 1.71 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.09 3.95 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 48 Q 8.21 3.88 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 49 R 8.36 3.85 0.00 1.93 2.10 0.00 3.15 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 1.62 1.67 0.00 50 E 8.17 3.98 0.00 1.96 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 2.56 2.46 0.00 51 V 8.13 3.73 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 1.11 0.00 0.00 0.94 0.00 0.00 52 N 8.14 4.40 0.00 2.96 2.87 0.00 0.00 7.11 7.12 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 53 K 7.69 4.27 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 54 A 7.09 4.23 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 55 P 0.00 4.32 0.00 2.20 1.90 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 56 M 8.78 4.07 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 57 D 8.16 4.46 0.00 2.89 2.82 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 0.00 0.00 0.00 58 V 7.53 4.35 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 0.85 0.00 0.00 1.02 0.00 0.00 59 K 7.71 3.89 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 60 E 8.18 3.91 0.00 2.08 1.95 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 2.39 2.38 0.00 61 H 8.23 4.06 0.00 3.24 3.45 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.95 4.01 0.00 1.89 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.50 3.95 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 64 K 8.28 3.94 0.00 1.94 1.79 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 65 Q 8.10 3.87 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 66 L 8.16 3.90 0.00 1.76 1.79 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.59 4.34 0.00 2.83 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 68 A 8.10 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.87 0.00 1.87 1.83 0.97 1.04 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 70 V 8.17 3.70 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 0.74 0.00 0.00 1.02 0.00 0.00 71 A 8.27 4.00 1.39 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 0.00 0.00 0.00 72 Q 8.27 3.86 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 73 K 8.43 3.96 0.00 1.76 2.01 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.63 7.81 74 D 8.45 4.37 0.00 2.67 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 75 A 7.84 4.14 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 76 E 7.98 4.06 0.00 2.17 2.03 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 2.34 2.51 0.00 77 K 7.72 4.30 0.00 1.96 1.72 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81