NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.5919 8.2233 120.1923 53.9777 42.7004 175.5510 10 E 3.7187 8.9494 127.1283 59.4478 29.3733 177.8707 11 D 4.3865 8.3926 118.4660 57.4867 41.3532 178.3327 12 L 3.0692 7.4607 120.1349 57.8538 41.9813 178.7659 13 L 3.8824 7.5228 118.6198 57.8668 41.6399 179.4962 14 K 3.8563 7.9988 119.0595 59.3998 32.0499 178.6620 15 A 3.9381 8.0029 121.2244 55.0650 18.2027 179.8425 16 V 3.4818 7.8293 116.8522 66.2854 31.7608 178.2439 17 R 3.9367 8.1260 117.9791 59.3409 29.8785 178.8670 18 L 4.0736 7.9530 119.8215 58.2398 42.1634 178.9653 19 I 3.7141 7.9674 119.9036 64.2020 36.9752 178.1350 20 K 4.0324 8.4930 120.8087 59.7786 32.0073 178.4074 21 F 4.4247 8.2617 120.4732 61.5523 39.0203 177.0622 22 L 3.8496 7.8672 117.4397 57.3265 41.4741 178.4929 23 Y 4.3086 7.7177 116.4671 60.5455 37.8372 177.8310 24 Q 4.0762 8.1956 118.4395 58.2216 29.1776 177.5869 25 S 4.1550 7.4183 114.6480 58.9498 64.0142 173.4922 26 N 4.2491 8.4708 117.9587 53.9484 35.5171 171.4309 27 P 5.0668 0.0000 0.0000 60.7444 34.5927 174.3352 28 P 3.2902 0.0000 0.0000 62.1850 32.9431 175.0893 29 P 4.2968 0.0000 0.0000 64.5343 29.4031 175.7916 30 N 4.7268 8.9244 109.2835 52.9534 41.5493 172.2335 31 P 4.7214 0.0000 0.0000 61.5229 33.1927 175.0411 32 E 4.6179 8.4803 119.4906 54.4826 32.6728 175.4419 33 G 3.9935 8.5429 112.8481 44.5999 0.0000 173.2760 34 T 4.2152 8.1905 110.6357 60.3691 71.3932 172.6644 35 R 3.9394 8.6358 124.7992 57.8194 30.2728 178.2451 36 Q 3.6386 8.9267 120.4748 57.2706 28.0157 175.4828 37 A 4.2333 7.9373 118.3567 54.0495 18.7776 179.3963 38 R 3.9766 8.1974 118.1351 59.7524 30.0346 178.7381 39 R 4.0642 7.9105 116.4195 58.1545 30.0048 178.2549 40 N 4.3376 7.6704 116.5168 56.7707 38.9621 176.8692 41 R 4.1143 7.7098 118.2330 58.3715 30.1626 179.1754 42 R 4.0230 7.8741 118.1062 59.3932 30.2198 178.6274 43 R 3.9466 7.6720 117.5107 59.4211 30.1101 179.0785 44 R 4.0141 7.7107 118.1955 59.4211 30.1259 178.4829 45 W 4.0249 8.9165 128.5352 60.1135 30.6391 178.3014 46 R 3.8737 8.7638 118.6033 59.2341 29.6462 178.4498 47 E 3.8616 8.1071 118.3202 59.6473 29.5492 179.6546 48 R 3.6798 7.7469 118.2347 59.4433 30.0828 178.3730 49 Q 3.5640 7.5785 119.4727 58.9583 28.7936 178.1142 50 R 3.8838 8.3886 119.5146 59.3385 30.0399 178.5977 51 Q 3.9302 7.9182 119.2404 59.0457 29.0632 177.8703 52 I 3.4251 7.6025 120.6090 64.8343 37.0847 177.4087 53 H 4.2589 8.7288 120.5607 58.9067 29.6635 177.3227 54 S 4.1434 7.9408 115.7695 61.3879 62.7734 176.5175 55 I 3.6612 7.8052 123.2714 64.2945 36.8205 178.4659 56 S 4.1000 8.1411 116.0251 61.5682 62.7065 176.0162 57 E 3.9301 8.3221 122.0588 59.7281 28.7734 179.2866 58 R 4.0088 8.0145 118.7607 58.8428 29.9829 179.1183 59 I 3.8422 8.0092 118.5570 64.4973 37.4325 178.2772 60 L 4.3343 8.4048 120.3207 57.8171 41.1833 179.4533 61 S 4.4412 8.2639 114.4783 61.7636 62.3853 176.4612 62 T 4.0815 7.5803 110.6992 63.6076 68.6142 174.5778 63 Y 4.5095 8.1260 119.0208 57.6281 37.4995 175.6318 64 L 4.6309 7.4440 116.3111 53.0126 44.8232 176.9640 65 G 3.7638 8.0420 114.6174 46.8757 0.0000 172.2637 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 9 D 8.22 4.59 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 10 E 8.95 3.72 0.00 2.19 2.02 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 2.42 2.53 0.00 11 D 8.39 4.39 0.00 3.10 3.05 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 0.00 0.00 0.00 0.00 12 L 7.46 3.07 0.00 1.38 1.72 0.45 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.52 3.88 0.00 1.83 1.68 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.00 3.86 0.00 2.00 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 A 8.00 3.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.48 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.89 0.00 0.00 17 R 8.13 3.94 0.00 2.11 1.98 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 18 L 7.95 4.07 0.00 1.89 1.96 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.97 3.71 2.06 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 1.42 0.96 1.10 0.00 0.00 20 K 8.49 4.03 0.00 2.06 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 21 F 8.26 4.42 0.00 3.18 3.30 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 22 L 7.87 3.85 0.00 1.69 1.43 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.72 4.31 0.00 3.18 2.94 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 0.00 0.00 0.00 24 Q 8.20 4.08 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 25 S 7.42 4.15 0.00 3.42 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.47 4.25 0.00 2.80 2.87 0.00 0.00 6.94 8.02 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 27 P 0.00 5.07 0.00 2.19 2.30 0.00 3.88 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 1.97 2.10 0.00 28 P 0.00 3.29 0.00 1.90 1.67 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 29 P 0.00 4.30 0.00 2.11 1.61 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 30 N 8.92 4.73 0.00 2.76 2.77 0.00 0.00 6.77 8.02 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 31 P 0.00 4.72 0.00 2.13 1.97 0.00 3.67 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 1.90 1.92 0.00 32 E 8.48 4.62 0.00 1.91 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 2.18 2.25 0.00 33 G 8.54 3.99 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 0.00 0.00 0.00 34 T 8.19 4.22 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 35 R 8.64 3.94 0.00 1.89 1.95 0.00 3.25 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 36 Q 8.93 3.64 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 37 A 7.94 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 38 R 8.20 3.98 0.00 2.09 1.93 0.00 3.08 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 1.87 0.00 39 R 7.91 4.06 0.00 1.95 1.97 0.00 3.24 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 40 N 7.67 4.34 0.00 3.03 2.99 0.00 0.00 7.05 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 41 R 7.71 4.11 0.00 2.06 2.01 0.00 3.19 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 R 7.87 4.02 0.00 2.11 2.04 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 43 R 7.67 3.95 0.00 2.03 2.02 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 44 R 7.71 4.01 0.00 1.87 2.20 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 45 W 8.92 4.02 0.00 3.53 3.28 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 0.00 46 R 8.76 3.87 0.00 2.09 1.97 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 47 E 8.11 3.86 0.00 2.24 1.97 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 2.31 2.38 0.00 48 R 7.75 3.68 0.00 1.78 1.68 0.00 2.98 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 49 Q 7.58 3.56 0.00 1.11 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 50 R 8.39 3.88 0.00 1.99 1.91 0.00 3.16 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 51 Q 7.92 3.93 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 52 I 7.60 3.43 1.36 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.30 -0.07 0.00 0.00 53 H 8.73 4.26 0.00 3.43 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.94 4.14 0.00 4.05 4.11 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 55 I 7.81 3.66 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.88 0.00 0.00 56 S 8.14 4.10 0.00 4.04 3.99 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 57 E 8.32 3.93 0.00 2.29 2.15 0.00 0.00 0.00 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 2.41 0.00 58 R 8.01 4.01 0.00 2.18 1.97 0.00 3.20 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 59 I 8.01 3.84 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 1.08 0.00 0.00 60 L 8.40 4.33 0.00 1.80 1.76 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.26 4.44 0.00 4.08 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 0.00 62 T 7.58 4.08 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 1.25 0.00 0.00 63 Y 8.13 4.51 0.00 3.09 3.03 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 64 L 7.44 4.63 0.00 1.65 1.50 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.04 3.76 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 0.00 0.00 0.00