NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0185 8.0544 114.0517 61.4740 32.8954 174.7206 2 D 4.4846 8.6803 123.4677 54.4812 42.0996 174.8946 3 N 4.9383 8.7349 113.5162 52.4073 40.9124 174.1985 4 K 3.8417 7.3513 117.5236 55.9001 32.7024 178.9044 5 F 5.4017 7.5805 124.1208 56.0787 42.8599 173.8816 6 N 5.0894 8.4196 118.5851 51.7594 42.6481 175.5859 7 K 4.0715 8.4763 121.2060 60.0302 32.1689 178.7096 8 E 3.5925 8.3035 118.4110 59.1645 29.2015 178.6083 9 Q 4.0775 7.9499 119.5244 58.4457 29.3812 177.3640 10 Q 4.1714 8.2502 118.9429 58.2369 28.8779 177.8129 11 N 4.5304 9.2032 119.4142 56.5336 38.9665 176.8904 12 A 4.0245 7.8829 121.9367 54.8586 18.4631 179.2850 13 F 3.7393 8.3423 119.3620 61.7893 39.6284 176.9932 14 Y 4.2945 8.3591 116.2689 61.1966 37.4308 178.3490 15 E 4.0580 8.2255 118.5881 59.7008 29.8531 179.3038 16 I 3.7868 7.8788 119.7856 64.1521 36.9909 178.3074 17 L 4.1751 8.2810 118.7302 56.8336 41.4746 177.7886 18 H 4.9479 7.6029 116.2932 54.6560 30.0504 174.1461 19 L 4.1510 7.4475 120.9102 54.4023 41.4374 175.2265 20 P 4.4405 0.0000 0.0000 64.3933 31.8786 176.4402 21 N 4.8613 7.9595 115.3599 52.3800 37.7731 174.2094 22 L 4.6263 7.5825 119.0894 53.8821 44.3719 174.6821 23 N 5.0815 8.0910 118.2965 50.9920 42.9876 174.5149 24 E 3.9217 8.5981 124.3154 59.5009 29.7133 178.5396 25 E 3.9082 8.1987 118.6207 59.4836 29.5474 178.7810 26 Q 3.8385 7.9439 117.2704 59.1134 29.0184 178.4006 27 R 3.9901 8.7998 120.1415 59.3437 29.9849 178.4238 28 N 4.3029 8.7135 116.6205 56.2700 38.6629 177.2076 29 A 4.0220 8.0074 122.1309 55.0722 18.3170 179.7962 30 F 4.1517 8.2745 116.3948 60.8062 39.0779 177.8274 31 I 3.3990 7.8675 119.4057 64.4198 36.8499 178.2266 32 Q 3.9728 8.5936 120.3962 59.3896 28.8631 178.0679 33 S 4.0424 8.1941 114.2195 61.5489 62.0808 176.0019 34 L 3.8436 8.1134 122.3513 57.9440 41.9195 178.6035 35 K 4.2532 8.1073 118.6620 59.0079 32.1791 178.3845 36 D 4.7243 8.0300 119.1174 55.7195 42.1792 176.8768 37 D 4.7669 8.0562 123.5010 51.0480 41.3287 174.2173 38 P 4.2474 0.0000 0.0000 63.9482 31.9396 179.0526 39 S 4.1233 8.1044 112.2585 61.1196 62.8591 174.9583 40 Q 4.5674 7.8769 119.0038 55.9364 29.0493 178.4545 41 S 4.0921 8.0211 115.1538 61.9089 62.9156 175.8546 42 A 3.9456 8.1566 122.8400 55.5059 17.8281 179.1155 43 N 4.2784 7.8308 115.3214 56.8182 39.0713 177.0876 44 L 4.2999 8.1498 119.9267 56.8051 41.6928 179.0482 45 L 3.7423 7.6187 120.4534 57.9412 42.2948 178.3245 46 A 4.1372 8.0928 120.6255 55.0535 18.1493 179.6165 47 E 3.9111 8.3197 116.9554 59.6604 29.7028 179.3700 48 A 3.2376 7.3958 120.4664 54.0630 18.0153 179.6815 49 K 3.7666 8.1559 119.1147 59.4733 32.2662 179.0081 50 K 3.9585 8.1537 120.0188 59.2339 32.0525 178.9447 51 L 3.9870 8.2540 119.7492 57.8378 41.3562 178.8018 52 N 4.2922 8.2500 117.0680 56.9553 38.3376 176.6166 53 D 4.3484 8.3428 120.0459 57.1684 40.7360 178.5911 54 A 4.1500 8.1291 121.0697 54.0359 18.4108 178.5932 55 Q 4.4581 8.3476 114.1532 55.3879 29.2439 175.5047 56 A 4.4577 7.0507 123.3794 50.2886 20.2485 175.9038 57 P 4.3834 0.0000 0.0000 62.7327 31.9051 177.1684 58 K 4.1579 8.4556 118.5973 57.2665 32.7691 176.8345 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 V 8.05 4.02 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 0.66 0.00 0.00 1.02 0.00 0.00 2 D 8.68 4.48 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.73 4.94 0.00 2.64 2.72 0.00 0.00 6.86 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.35 3.84 0.00 1.27 0.84 0.00 1.36 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.25 7.81 5 F 7.58 5.40 0.00 3.05 2.89 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 0.00 0.00 0.00 6 N 8.42 5.09 0.00 2.79 2.71 0.00 0.00 6.72 6.46 0.00 0.00 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 K 8.48 4.07 0.00 2.11 2.10 0.00 1.48 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.59 7.81 8 E 8.30 3.59 0.00 2.23 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 0.00 2.39 2.40 0.00 9 Q 7.95 4.08 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.36 0.00 0.00 0.00 0.00 0.00 2.31 1.92 0.00 10 Q 8.25 4.17 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 11 N 9.20 4.53 0.00 2.86 2.87 0.00 0.00 6.98 7.60 0.00 0.00 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 A 7.88 4.02 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 13 F 8.34 3.74 0.00 3.36 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 14 Y 8.36 4.29 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.06 0.00 2.16 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 0.00 2.38 2.53 0.00 16 I 7.88 3.79 1.82 0.00 0.00 0.62 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 0.33 0.65 0.00 0.00 17 L 8.28 4.18 0.00 1.94 1.88 1.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.60 4.95 0.00 3.31 3.46 0.00 5.95 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.45 4.15 0.00 1.66 1.67 0.77 0.96 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 20 P 0.00 4.44 0.00 2.14 2.11 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 21 N 7.96 4.86 0.00 2.81 2.92 0.00 0.00 5.85 7.77 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 22 L 7.58 4.63 0.00 1.67 1.61 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.09 5.08 0.00 2.77 2.70 0.00 0.00 6.49 7.65 0.00 0.00 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 E 8.60 3.92 0.00 2.08 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 2.39 2.39 0.00 25 E 8.20 3.91 0.00 2.10 1.92 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 2.35 2.43 0.00 26 Q 7.94 3.84 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 27 R 8.80 3.99 0.00 1.92 1.99 0.00 3.07 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 28 N 8.71 4.30 0.00 3.00 2.83 0.00 0.00 6.80 7.16 0.00 0.00 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 A 8.01 4.02 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 30 F 8.27 4.15 0.00 3.12 2.90 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 0.00 0.00 0.00 0.00 31 I 7.87 3.40 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.45 1.08 0.00 0.00 32 Q 8.59 3.97 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 33 S 8.19 4.04 0.00 4.08 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 34 L 8.11 3.84 0.00 1.80 1.81 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.11 4.25 0.00 2.17 2.04 0.00 2.19 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 2.06 7.81 36 D 8.03 4.72 0.00 2.84 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 37 D 8.06 4.77 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.06 1.54 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.78 0.00 39 S 8.10 4.12 0.00 3.96 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 40 Q 7.88 4.57 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 41 S 8.02 4.09 0.00 3.83 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 42 A 8.16 3.95 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 43 N 7.83 4.28 0.00 2.84 3.00 0.00 0.00 7.15 6.50 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 44 L 8.15 4.30 0.00 1.77 2.00 0.94 0.75 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 45 L 7.62 3.74 0.00 1.85 1.70 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.09 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 E 8.32 3.91 0.00 2.30 2.33 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 2.49 2.57 0.00 48 A 7.40 3.24 -0.11 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 49 K 8.16 3.77 0.00 1.79 1.91 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.53 7.81 50 K 8.15 3.96 0.00 2.15 1.80 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.52 7.81 51 L 8.25 3.99 0.00 1.87 2.02 1.21 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.25 4.29 0.00 3.00 2.77 0.00 0.00 7.20 8.22 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 53 D 8.34 4.35 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.15 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 55 Q 8.35 4.46 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 56 A 7.05 4.46 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 57 P 0.00 4.38 0.00 2.05 2.01 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 58 K 8.46 4.16 0.00 1.84 1.79 0.00 1.49 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.49 7.81