NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4044 8.3049 118.1974 55.1762 32.7579 174.8614 2 K 4.4087 8.0164 117.3923 55.3002 35.1292 174.1569 3 K 4.5391 8.5815 119.8517 55.3538 34.7780 175.5815 4 V 4.4412 8.4299 125.3195 62.0375 31.8555 175.7772 5 V 4.2238 8.3424 120.9104 62.4120 32.8839 176.0664 6 A 4.4760 7.3169 119.7724 50.7099 22.4228 175.8113 7 V 4.5250 8.2816 120.0920 59.9348 33.2728 174.8495 8 V 4.0498 8.9716 127.1842 61.6530 33.1655 174.6963 9 K 4.9148 8.5835 126.9554 54.8723 33.7287 175.3895 10 L 4.8990 8.9404 125.0691 52.8112 45.8483 175.6770 11 Q 5.1243 8.5664 119.2180 54.2710 31.5715 174.9891 12 L 4.9002 8.7705 123.0452 51.9841 45.8722 174.3925 13 P 4.8711 0.0000 0.0000 62.2264 32.5989 175.9457 14 A 4.0478 8.9777 127.9922 53.6616 18.7040 177.6173 15 G 4.0287 9.0395 110.5616 46.3681 0.0000 173.9244 16 K 4.6520 7.8780 115.7029 55.5648 33.5057 176.5581 17 A 4.1283 9.1388 122.5762 52.3261 18.7569 177.8559 18 T 4.7817 7.9144 110.5623 59.0746 72.4409 172.3458 19 P 4.2794 0.0000 0.0000 65.0904 31.6171 177.2175 20 A 4.3808 7.3848 120.8807 51.0373 18.8714 174.8874 21 P 4.2935 0.0000 0.0000 62.8399 31.9102 175.0755 22 P 4.4321 0.0000 0.0000 64.0952 32.4417 178.4070 23 V 3.4561 7.7229 119.8492 66.6053 31.3908 177.2042 24 G 3.7474 8.0890 104.8794 47.8248 0.0000 173.2557 25 P 4.1654 0.0000 0.0000 65.1851 31.1502 178.1946 26 A 3.8659 7.9796 119.9003 54.5347 18.5739 178.9618 27 L 4.1923 7.9251 116.8748 56.9260 42.2480 179.3925 28 G 3.6969 8.3444 106.4318 47.8678 0.0000 175.4592 29 Q 4.1536 7.9076 118.1438 58.0617 28.3851 176.5980 30 H 4.6679 7.9968 117.3994 55.1986 29.2195 175.6988 31 G 4.0360 8.0999 106.6528 45.6633 0.0000 174.3514 32 A 4.5517 7.1428 121.2409 51.0024 19.1559 178.4555 33 N 4.6806 8.8935 118.2694 52.7474 39.0568 175.9496 34 I 3.6510 8.2251 129.4841 64.8573 37.4404 178.2772 35 M 4.1217 8.0887 118.8668 58.2836 31.8160 178.4999 36 E 4.1225 8.6322 118.8987 59.4800 29.6421 179.2178 37 F 4.4026 8.4985 120.6337 61.1741 39.4117 177.1073 38 V 3.3792 8.0788 118.1212 66.2074 31.3123 178.2582 39 K 4.0080 8.2511 117.7480 59.1789 31.9058 179.3609 40 A 4.0845 8.1433 121.1493 55.2233 18.5605 179.5134 41 F 3.8790 8.3828 119.6139 61.4851 39.1319 177.1825 42 N 4.3107 8.0160 114.7647 55.9441 38.3309 177.0611 43 A 4.0942 7.8576 121.6601 55.0299 18.5883 179.2654 44 A 4.1160 7.8684 118.4893 54.1996 18.5141 178.2557 45 T 4.3574 7.1760 106.2886 61.3073 69.2462 175.7542 46 A 4.1450 7.9837 127.5862 55.7053 18.8712 179.4466 47 N 4.4868 8.0296 111.6595 55.1851 38.0038 175.4609 48 M 4.2394 8.7011 118.6731 56.2865 32.1313 177.8212 49 G 4.0825 7.2623 106.4201 46.1950 0.0000 174.9812 50 D 4.7513 8.4281 121.6944 53.6133 40.6943 174.8472 51 A 4.3233 7.7988 120.0988 52.4095 19.9373 176.8000 52 I 4.3404 8.2896 121.1385 61.1059 38.1883 175.8101 53 V 4.3202 9.2404 129.0167 60.4564 33.3720 173.0163 54 P 5.1054 0.0000 0.0000 62.4773 32.4704 175.9592 55 V 5.0689 9.2765 124.4631 59.9411 35.0215 174.3644 56 E 5.0557 9.2151 123.6879 54.9073 31.9415 174.7726 57 I 4.9480 8.6688 126.7127 60.0248 39.7859 175.0959 58 T 4.7031 9.1337 124.3597 62.0766 70.4955 173.3569 59 I 4.8049 8.1149 128.1386 59.9049 39.6460 175.6131 60 Y 4.9274 8.4625 124.1789 56.3182 40.1429 176.6384 61 A 4.1124 8.7894 123.2259 55.0451 18.5110 178.2025 62 D 4.6965 8.1614 113.6189 53.4230 39.6122 177.7488 63 R 4.1975 8.2064 119.1892 56.6077 29.4842 176.2201 64 S 4.7251 7.9381 112.8393 58.6323 64.4590 172.8700 65 F 6.1990 8.2863 113.3996 56.6171 40.4565 173.3338 66 T 5.1805 8.9459 109.4511 60.3079 72.5776 172.1497 67 F 5.6245 8.3213 115.8851 55.7431 41.7865 173.7940 68 V 4.5439 9.0073 119.0107 61.5866 34.2331 174.4843 69 T 5.1670 8.8591 118.1172 60.7966 70.6000 173.9639 70 K 4.7521 8.3059 121.6777 54.5162 35.6837 176.6530 71 T 4.0711 8.3478 116.8616 64.1176 68.4361 174.8284 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 1 M 8.30 4.40 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 K 8.02 4.41 0.00 1.75 1.86 0.00 0.92 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.34 7.81 3 K 8.58 4.54 0.00 1.77 1.77 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.46 7.81 4 V 8.43 4.44 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 0.69 0.00 0.00 0.90 0.00 0.00 5 V 8.34 4.22 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 0.72 0.00 0.00 0.99 0.00 0.00 6 A 7.32 4.48 0.82 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 0.00 0.00 7 V 8.28 4.52 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 0.70 0.00 0.00 0.90 0.00 0.00 8 V 8.97 4.05 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 0.89 0.00 0.00 0.80 0.00 0.00 9 K 8.58 4.91 0.00 1.63 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.41 7.81 10 L 8.94 4.90 0.00 1.45 1.42 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.57 5.12 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 12 L 8.77 4.90 0.00 1.45 1.38 0.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.87 0.00 2.12 2.00 0.00 3.62 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 2.13 2.12 0.00 14 A 8.98 4.05 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 15 G 9.04 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 0.00 0.00 0.00 16 K 7.88 4.65 0.00 1.92 1.78 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.38 7.81 17 A 9.14 4.13 1.13 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 0.00 0.00 0.00 18 T 7.91 4.78 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 19 P 0.00 4.28 0.00 2.20 2.14 0.00 3.60 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 2.12 2.10 0.00 20 A 7.38 4.38 1.19 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 21 P 0.00 4.29 0.00 2.02 2.00 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 22 P 0.00 4.43 0.00 2.20 2.23 0.00 3.37 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 23 V 7.72 3.46 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 1.03 0.00 0.00 0.96 0.00 0.00 24 G 8.09 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 0.00 0.00 0.00 25 P 0.00 4.17 0.00 2.22 2.29 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 26 A 7.98 3.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.93 4.19 0.00 1.67 1.50 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.34 3.70 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 0.00 0.00 0.00 29 Q 7.91 4.15 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 30 H 8.00 4.67 0.00 3.22 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.10 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.14 4.55 1.17 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 33 N 8.89 4.68 0.00 2.98 3.13 0.00 0.00 6.93 7.84 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 34 I 8.23 3.65 1.88 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 1.56 0.42 0.92 0.00 0.00 35 M 8.09 4.12 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 36 E 8.63 4.12 0.00 2.64 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 37 F 8.50 4.40 0.00 2.54 2.99 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 38 V 8.08 3.38 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 1.00 0.00 0.00 1.06 0.00 0.00 39 K 8.25 4.01 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.63 7.81 40 A 8.14 4.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 3.88 0.00 1.74 2.27 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 42 N 8.02 4.31 0.00 2.87 2.86 0.00 0.00 7.05 7.50 0.00 0.00 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 A 7.86 4.09 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 44 A 7.87 4.12 1.40 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 0.00 0.00 0.00 45 T 7.18 4.36 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 0.45 0.00 0.00 46 A 7.98 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.49 0.00 2.82 2.93 0.00 0.00 5.99 7.66 0.00 0.00 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 M 8.70 4.24 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 49 G 7.26 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.43 4.75 0.00 2.71 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 51 A 7.80 4.32 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 52 I 8.29 4.34 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.98 0.00 0.00 53 V 9.24 4.32 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 54 P 0.00 5.11 0.00 2.18 2.01 0.00 3.66 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 55 V 9.28 5.07 2.51 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 0.87 0.00 0.00 1.30 0.00 0.00 56 E 9.22 5.06 0.00 2.02 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 2.25 2.30 0.00 57 I 8.67 4.95 1.59 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.70 0.73 0.00 0.00 58 T 9.13 4.70 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 59 I 8.11 4.80 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.94 0.00 0.00 60 Y 8.46 4.93 0.00 3.14 2.92 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 61 A 8.79 4.11 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 62 D 8.16 4.70 0.00 2.82 2.80 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 0.00 0.00 0.00 63 R 8.21 4.20 0.00 2.20 2.28 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 64 S 7.94 4.73 0.00 3.90 4.04 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 0.00 0.00 0.00 65 F 8.29 6.20 0.00 3.19 3.09 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 66 T 8.95 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 67 F 8.32 5.62 0.00 3.34 3.26 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 68 V 9.01 4.54 2.17 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 1.03 0.00 0.00 0.97 0.00 0.00 69 T 8.86 5.17 4.35 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 1.53 0.00 0.00 70 K 8.31 4.75 0.00 1.72 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.44 7.81 71 T 8.35 4.07 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