NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8638 8.3544 109.7332 45.9459 0.0000 171.6895 2 S 4.0696 7.3131 126.4642 57.8762 68.0190 175.3312 3 H 4.6910 8.8261 128.2402 54.9746 28.4384 174.7081 4 T 4.6492 7.9522 120.1019 61.5379 70.7956 174.4124 5 S 4.7518 8.1545 117.1290 55.7540 65.8194 173.2912 6 P 4.4793 0.0000 0.0000 62.3383 32.8722 174.6016 7 D 4.5314 8.5318 119.8370 53.9440 40.5613 177.0855 8 V 3.9070 8.1293 125.5962 60.4801 30.5552 174.6931 9 D 4.6800 8.1273 127.5176 53.1038 39.9835 177.3455 10 L 4.0328 8.3348 126.2445 58.0358 41.0665 179.4682 11 G 3.5121 8.0380 106.2305 46.8720 0.0000 174.2250 12 D 4.7042 7.9747 118.7518 56.1090 42.1854 178.0376 13 I 3.8383 7.7238 112.4145 64.9843 37.7325 177.3725 14 S 4.2179 8.0122 117.4265 56.0538 62.2508 175.4025 15 G 4.0076 7.8733 112.1263 46.5430 0.0000 174.2847 16 I 4.1358 7.1695 112.7332 61.6677 38.2020 177.1177 17 N 4.1624 8.2606 119.1350 57.1058 38.7652 176.2842 18 A 4.0567 7.9895 121.0999 55.1517 18.4631 179.6805 19 S 4.0973 7.8569 113.5035 61.4932 63.0450 176.6022 20 V 3.5441 8.2451 121.4109 66.1637 31.2743 178.2839 21 V 3.6060 7.6117 117.3106 65.9230 31.3490 177.6770 22 N 4.2995 8.0244 115.7831 56.4959 38.4755 177.2264 23 I 3.8587 8.2717 120.2545 63.9377 38.0335 177.6432 24 Q 3.8960 8.1658 120.4884 59.2182 28.7897 178.3711 25 K 4.0260 7.9592 118.8288 58.9113 32.4221 178.2314 26 E 4.0389 8.0887 120.0493 59.3035 29.5009 178.3751 27 I 3.6604 7.7085 118.6650 64.3769 38.0314 177.3084 28 D 4.0997 7.9702 119.1118 57.5746 40.7235 178.9886 29 R 3.9279 8.0515 119.1111 59.2204 30.0143 178.6006 30 L 4.0385 7.6729 118.3883 57.4086 41.9064 178.2545 31 N 4.2171 9.0431 118.2719 57.1800 38.8061 176.7576 32 E 4.0561 8.3168 119.8117 59.0693 29.5115 179.6136 33 V 3.6099 7.6361 118.8728 64.8945 31.2525 178.4136 34 A 4.0241 8.7461 121.7781 54.4647 18.1553 179.7430 35 K 4.0349 7.7811 116.7486 59.7785 32.0547 179.0362 36 N 4.3224 8.2916 117.2188 56.5090 38.9596 176.8826 37 L 3.9547 7.9564 120.4346 57.9364 41.5668 178.8535 38 N 4.2875 8.8144 116.7092 56.6600 38.9930 176.1580 39 E 4.0411 8.0437 120.6324 59.5590 29.7105 178.8714 40 S 4.2978 7.8713 115.0055 61.8181 62.8805 176.9007 41 L 4.1165 7.8565 121.2147 57.2726 41.4155 179.3850 42 I 3.8002 8.2810 113.8494 63.8488 37.3980 177.9401 43 D 4.3322 7.8365 120.9380 57.2268 40.8119 178.4820 44 L 4.0011 8.0020 119.6544 59.2926 39.9001 179.1933 45 Q 4.0103 7.7910 117.9628 58.6894 28.8747 177.8363 46 E 4.2234 8.0566 119.5385 58.4741 29.5064 178.3783 47 L 3.9573 8.6968 119.7748 57.3127 41.8324 178.6109 48 G 4.0133 7.8795 104.3041 45.1720 0.0000 173.8759 49 K 4.2121 7.4522 120.2199 56.2895 33.5477 176.3624 50 Y 4.3964 7.7376 118.0675 59.0896 40.3213 177.8564 51 E 4.0951 8.5644 118.5141 59.1671 29.3671 177.5258 52 Q 4.5236 7.7211 115.1594 55.9881 28.8163 176.8585 53 Y 3.5353 8.4622 122.3491 60.3648 38.8949 176.7663 54 I 4.0274 7.1742 114.0110 60.4647 38.2899 176.0543 55 K 4.0939 8.3141 122.6275 57.1951 32.2913 175.7025 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 G 8.35 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 2 S 7.31 4.07 0.00 3.77 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.83 4.69 0.00 3.33 3.23 0.00 5.69 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 4 T 7.95 4.65 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 5 S 8.15 4.75 0.00 3.92 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 6 P 0.00 4.48 0.00 2.20 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 7 D 8.53 4.53 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 3.91 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 9 D 8.13 4.68 0.00 2.72 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 10 L 8.33 4.03 0.00 1.87 1.92 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.04 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.97 4.70 0.00 2.64 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 13 I 7.72 3.84 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 1.62 0.53 0.93 0.00 0.00 14 S 8.01 4.22 0.00 3.99 3.80 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 15 G 7.87 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 16 I 7.17 4.14 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 1.41 0.85 0.94 0.00 0.00 17 N 8.26 4.16 0.00 2.85 2.88 0.00 0.00 7.11 8.54 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 18 A 7.99 4.06 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 19 S 7.86 4.10 0.00 4.07 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 20 V 8.25 3.54 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 21 V 7.61 3.61 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 0.97 0.00 0.00 0.96 0.00 0.00 22 N 8.02 4.30 0.00 3.07 2.85 0.00 0.00 6.66 6.78 0.00 0.00 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 I 8.27 3.86 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 1.41 1.22 1.00 0.00 0.00 24 Q 8.17 3.90 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 25 K 7.96 4.03 0.00 1.80 1.96 0.00 2.06 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 26 E 8.09 4.04 0.00 2.30 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 2.30 2.31 0.00 27 I 7.71 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 1.18 0.99 0.00 0.00 28 D 7.97 4.10 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.93 0.00 2.08 1.91 0.00 3.08 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 L 7.67 4.04 0.00 1.85 1.69 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 N 9.04 4.22 0.00 2.81 2.83 0.00 0.00 7.25 7.53 0.00 0.00 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 E 8.32 4.06 0.00 2.18 1.98 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 2.33 2.31 0.00 33 V 7.64 3.61 2.29 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 0.83 0.00 0.00 0.93 0.00 0.00 34 A 8.75 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.78 4.03 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 36 N 8.29 4.32 0.00 2.76 2.81 0.00 0.00 7.30 6.28 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 37 L 7.96 3.95 0.00 1.87 1.70 0.92 0.36 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 38 N 8.81 4.29 0.00 2.83 2.96 0.00 0.00 7.25 7.53 0.00 0.00 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 E 8.04 4.04 0.00 2.32 1.96 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 2.31 2.35 0.00 40 S 7.87 4.30 0.00 3.96 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 41 L 7.86 4.12 0.00 1.81 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.28 3.80 1.88 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 1.50 0.59 0.96 0.00 0.00 43 D 7.84 4.33 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.00 4.00 0.00 1.92 1.96 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.79 4.01 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 46 E 8.06 4.22 0.00 2.08 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 2.33 2.38 0.00 47 L 8.70 3.96 0.00 1.91 1.73 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.88 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 49 K 7.45 4.21 0.00 1.93 1.94 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.56 7.81 50 Y 7.74 4.40 0.00 3.07 2.87 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 0.00 0.00 0.00 51 E 8.56 4.10 0.00 2.27 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 0.00 2.39 2.31 0.00 52 Q 7.72 4.52 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 53 Y 8.46 3.54 0.00 2.63 2.83 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 0.00 0.00 0.00 0.00 54 I 7.17 4.03 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 1.00 0.00 0.00 55 K 8.31 4.09 0.00 1.73 1.65 0.00 1.42 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.48 7.81