NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3321 8.1744 110.9433 61.2767 70.7515 173.5802 6 N 4.7316 7.9449 120.3550 53.1145 39.2761 173.3703 7 S 4.4701 8.7861 112.9634 57.5502 64.8600 173.3531 8 D 4.8223 8.6397 121.9857 55.2377 41.8942 175.3531 9 F 5.2584 7.9417 114.1812 55.5787 41.6850 173.5196 10 V 4.4868 8.7924 117.8906 61.0494 35.1012 173.9832 11 V 4.8225 8.6753 126.7777 61.2879 33.8350 174.2967 12 I 4.9653 9.1373 128.5165 59.3619 40.7325 174.1121 13 K 5.0663 9.1828 128.8400 54.2578 34.5276 175.0008 14 A 4.4461 8.7838 130.3298 52.1818 19.1806 177.4066 15 L 4.6610 8.9860 122.3141 54.5566 42.5201 175.7573 16 E 4.7389 7.6441 115.7375 55.1217 32.3736 174.5628 17 D 4.3366 8.5582 120.1962 55.2811 41.5415 177.0947 18 G 3.8555 8.4695 109.7819 45.4476 0.0000 173.7865 19 V 3.8538 7.6025 119.8036 62.9687 33.0131 174.4457 20 N 5.2931 9.1113 125.1611 51.6327 41.0929 173.7649 21 V 4.5302 8.9084 125.6564 61.4329 33.3900 174.4263 22 I 4.5580 8.5719 130.1990 59.3507 39.4424 175.1156 23 G 4.0728 8.8759 115.7354 45.4081 0.0000 172.4597 24 L 5.3159 9.0314 126.4606 53.3255 43.7970 176.4063 25 T 4.5451 8.8945 114.6535 61.7920 69.1149 174.1867 26 R 4.3696 7.9303 126.5026 57.2226 30.8002 174.9341 27 G 3.7879 8.8413 109.1659 44.1991 0.0000 172.9150 28 A 4.0616 8.7466 121.3130 54.7493 18.6412 177.9340 29 D 4.7842 7.8275 113.6131 53.5185 42.4259 176.3117 30 T 4.5309 8.2368 121.8370 61.1606 69.0753 172.6600 31 R 4.7980 8.7596 122.7670 53.6949 33.7515 174.4399 32 F 5.2758 8.7220 117.9985 57.7407 38.9713 175.7178 33 H 4.9329 9.0246 119.0434 56.5143 30.3469 174.4878 34 H 4.7376 7.6099 117.4395 55.0086 33.3039 171.9315 35 S 4.8414 8.3300 119.8784 56.4412 64.4459 172.3195 36 E 4.5029 9.0564 129.4334 54.5922 31.2431 174.5730 37 K 4.8918 8.6125 126.8019 55.4748 33.3598 175.9449 38 L 4.9240 8.9837 125.5853 53.1104 44.6662 176.2216 39 D 4.9599 8.9748 123.1035 52.3896 43.3940 175.8227 40 K 3.9432 9.0455 121.7720 58.8252 32.1288 176.9110 41 G 4.0168 9.0686 116.0638 45.0114 0.0000 173.2661 42 E 4.3064 8.0761 119.6477 56.1443 30.9462 175.9317 43 V 4.9239 8.2764 121.7744 61.0218 34.4144 174.2147 44 L 4.7791 9.1007 129.8365 53.2322 44.8964 174.8320 45 I 5.0725 8.4512 126.0567 59.5557 39.6084 174.7200 46 A 4.6828 8.9870 129.0131 50.1242 21.9795 175.4695 47 Q 4.7674 8.6654 121.1490 55.2024 30.2372 175.8431 48 F 4.6429 8.4531 120.2207 57.9425 39.9054 175.2310 49 T 4.6947 8.8113 111.3471 60.1843 71.8884 173.1094 50 E 4.0099 8.9216 121.1923 59.4047 29.7000 177.3425 51 H 4.5707 8.1248 114.1107 56.3185 29.8861 174.1512 52 T 5.3524 8.0201 116.9709 61.8640 71.1212 174.5189 53 S 4.9656 9.0567 119.5689 57.9868 64.9855 173.4276 54 A 5.1599 7.9303 121.5041 51.0759 22.5924 175.1297 55 I 5.0284 8.5859 120.8583 59.3289 40.6142 174.7363 56 K 4.5871 8.8966 127.8261 54.4853 34.8470 174.6584 57 V 4.7540 8.4138 126.6037 61.2427 33.5580 174.5033 58 R 4.5582 8.9892 127.1479 55.6377 32.6872 176.8017 59 G 4.1913 8.9462 108.5775 44.5181 0.0000 172.9201 60 K 4.6962 9.4086 118.8817 55.7550 33.0265 176.4710 61 A 5.0913 8.5585 124.7152 50.7351 23.3688 173.7762 62 Y 4.9427 9.2086 122.0167 56.1102 41.1813 174.5988 63 I 4.9512 8.0979 126.6626 59.4931 41.2018 174.2302 64 Q 5.0440 8.9794 125.7779 54.2824 31.9352 174.8745 65 T 4.8704 8.7028 113.0478 59.4826 72.5258 174.5555 66 R 3.7454 8.5662 120.8729 59.4384 29.7770 176.3901 67 H 4.7292 8.7113 112.3466 55.2581 29.6540 174.8496 68 G 3.7124 6.7296 106.9058 44.2978 0.0000 173.0104 69 V 4.7779 7.7555 113.5033 59.9524 34.8441 175.1664 70 I 4.3839 8.0433 120.8081 60.2033 41.8961 172.7296 71 E 5.2156 8.6451 127.4462 54.5663 31.3438 176.1149 72 S 4.4969 8.6384 119.1334 58.3156 64.6798 172.9858 73 E 4.9427 8.7209 119.8734 54.5919 33.1207 175.2069 74 G 4.0102 8.8922 109.0400 45.6780 0.0000 173.8945 75 K 5.3454 7.7411 123.4307 55.5440 31.4556 175.1621 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 5 T 8.17 4.33 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 6 N 7.94 4.73 0.00 2.80 2.86 0.00 0.00 7.06 6.75 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 7 S 8.79 4.47 0.00 4.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.64 4.82 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.94 5.26 0.00 2.94 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 10 V 8.79 4.49 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 0.94 0.00 0.00 0.80 0.00 0.00 11 V 8.68 4.82 2.14 0.00 0.00 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 1.16 0.00 0.00 12 I 9.14 4.97 1.87 0.00 0.00 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 1.08 0.59 0.91 0.00 0.00 13 K 9.18 5.07 0.00 1.89 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.78 4.45 1.33 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 0.00 0.00 0.00 15 L 8.99 4.66 0.00 1.61 1.72 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.64 4.74 0.00 1.93 1.89 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 2.19 2.33 0.00 17 D 8.56 4.34 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.60 3.85 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 1.00 0.00 0.00 1.05 0.00 0.00 20 N 9.11 5.29 0.00 2.64 2.61 0.00 0.00 6.30 7.90 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 21 V 8.91 4.53 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 0.89 0.00 0.00 0.90 0.00 0.00 22 I 8.57 4.56 1.48 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 0.63 0.23 -0.27 0.00 0.00 23 G 8.88 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 24 L 9.03 5.32 0.00 1.91 1.69 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.89 4.55 4.31 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 1.37 0.00 0.00 26 R 7.93 4.37 0.00 1.89 1.95 0.00 3.23 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.84 3.79 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 0.00 28 A 8.75 4.06 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 29 D 7.83 4.78 0.00 2.64 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 30 T 8.24 4.53 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 1.28 0.00 0.00 31 R 8.76 4.80 0.00 1.83 2.02 0.00 2.79 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 32 F 8.72 5.28 0.00 2.86 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 33 H 9.02 4.93 0.00 3.16 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.61 4.74 0.00 3.27 3.06 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.33 4.84 0.00 3.69 3.59 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 36 E 9.06 4.50 0.00 2.13 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 0.00 2.23 2.31 0.00 37 K 8.61 4.89 0.00 1.64 1.72 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.50 7.81 38 L 8.98 4.92 0.00 1.52 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.97 4.96 0.00 2.61 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 40 K 9.05 3.94 0.00 1.58 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.31 0.00 2.05 1.87 0.00 0.00 0.00 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 2.25 0.00 43 V 8.28 4.92 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.10 4.78 0.00 1.73 1.45 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.07 1.76 0.00 0.00 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 1.26 0.68 0.69 0.00 0.00 46 A 8.99 4.68 1.11 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.67 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.45 4.64 0.00 3.03 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 49 T 8.81 4.69 4.29 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 1.29 0.00 0.00 50 E 8.92 4.01 0.00 1.92 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 2.11 2.28 0.00 51 H 8.12 4.57 0.00 3.20 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.02 5.35 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 1.34 0.00 0.00 53 S 9.06 4.97 0.00 3.86 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 54 A 7.93 5.16 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 55 I 8.59 5.03 1.88 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.89 0.00 0.00 56 K 8.90 4.59 0.00 1.80 1.53 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 V 8.41 4.75 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.99 4.56 0.00 1.77 1.78 0.00 3.15 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 59 G 8.95 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 60 K 9.41 4.70 0.00 2.01 1.78 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.32 7.81 61 A 8.56 5.09 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 62 Y 9.21 4.94 0.00 3.03 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.10 4.95 1.85 0.00 0.00 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 1.17 0.82 0.82 0.00 0.00 64 Q 8.98 5.04 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 65 T 8.70 4.87 4.12 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 0.00 0.00 0.00 1.14 0.00 0.00 66 R 8.57 3.75 0.00 1.57 1.72 0.00 3.28 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 H 8.71 4.73 0.00 3.18 3.27 0.00 5.70 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 68 G 6.73 3.71 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 0.00 0.00 0.00 69 V 7.76 4.78 1.83 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 8.04 4.38 1.82 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 1.20 1.35 0.84 0.00 0.00 71 E 8.65 5.22 0.00 1.92 1.89 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 2.53 2.45 0.00 72 S 8.64 4.50 0.00 3.94 3.98 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 73 E 8.72 4.94 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 74 G 8.89 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.74 5.35 0.00 1.79 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81