NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1449 8.2549 117.2601 54.8049 31.0067 175.1297 2 P 3.9964 0.0000 0.0000 62.4225 31.9691 176.0518 3 D 4.3472 8.3651 121.2530 57.3221 41.6952 178.7268 4 F 4.3360 7.9056 114.5353 59.7450 37.5528 177.4361 5 C 4.7976 7.3937 115.2534 58.5927 40.0189 174.4943 6 L 4.3051 7.9241 119.7998 54.3243 42.2775 176.7484 7 E 4.2154 7.6567 119.0557 55.4278 30.0471 174.9878 8 P 4.6211 0.0000 0.0000 60.9823 32.6434 174.2547 9 P 3.6489 0.0000 0.0000 62.7335 31.3467 175.1549 10 Y 4.6823 7.9618 121.4999 56.0757 40.5140 175.3604 11 T 4.0742 8.3425 125.1918 64.9056 68.8873 176.1275 12 G 3.7852 6.8261 104.8283 43.9898 0.0000 171.4091 13 P 4.2695 0.0000 0.0000 65.0329 31.3474 177.7205 14 C 4.4719 7.8368 116.7796 56.7651 40.6707 173.8033 15 K 4.1008 8.1890 118.4904 56.8340 33.0553 176.3843 16 A 4.1822 7.7272 122.7642 52.0125 19.9242 177.1763 17 R 4.9466 8.0419 116.7656 54.3413 30.2355 174.3286 18 I 4.4193 8.5043 122.6845 59.4836 39.9527 175.2340 19 I 4.3364 8.1278 126.6093 61.1364 38.3134 175.1588 20 R 4.5506 8.3205 123.6384 55.1474 35.3376 173.2069 21 Y 5.7060 9.1544 117.4298 56.7216 41.2429 175.3306 22 F 5.6912 9.3336 115.9727 55.6945 42.4154 172.6415 23 Y 4.4403 9.7315 122.8080 57.0938 40.0535 174.1324 24 N 4.3504 8.5728 126.6792 51.5849 38.2663 174.8759 25 A 3.8070 8.4860 128.4232 55.0913 18.6586 178.8778 26 K 3.9580 8.2109 112.9422 59.4143 32.1304 178.0964 27 A 4.1304 7.9749 119.1642 51.8434 19.2869 176.9956 28 G 4.1692 7.8432 104.2304 45.3657 0.0000 172.9852 29 L 4.5987 6.6247 117.8534 53.8085 46.0649 174.7793 30 C 5.0374 8.6458 120.5418 56.2101 42.5986 172.7802 31 Q 4.8299 8.5715 120.9989 54.5280 33.3992 174.1953 32 T 5.1860 8.5302 110.5031 61.3342 70.9138 173.7713 33 F 4.9291 8.6555 115.5573 56.0603 41.7061 172.9958 34 V 4.2774 8.4150 120.4852 62.2066 32.2905 174.2546 35 Y 4.7127 9.1585 130.9139 56.0801 40.4863 176.3326 36 G 3.8628 8.0953 113.0207 46.1643 0.0000 175.0974 37 G 3.8567 7.0721 107.7566 45.0692 0.0000 172.1248 38 C 4.7919 7.0478 111.7469 54.9998 44.5336 173.3067 39 R 3.7540 8.6979 116.7590 57.3914 27.0943 176.7752 40 A 4.4436 8.0680 118.7013 52.2534 19.4280 177.6848 41 K 4.4711 8.2072 119.7878 54.3871 34.4659 177.1494 42 R 3.4828 8.2121 118.5520 59.1912 30.2437 177.8151 43 N 4.6704 7.4843 116.5130 51.3171 37.2118 173.7870 44 N 5.0052 6.8227 116.4807 52.7174 41.0933 173.0993 45 F 4.9670 9.4257 125.6116 55.3372 41.8179 176.9492 46 K 4.0322 9.0436 126.2766 58.4344 32.7900 177.3047 47 S 4.8144 8.0369 112.6872 56.0369 64.9907 174.1607 48 A 3.1538 7.9689 130.7000 54.8896 18.1887 179.0345 49 E 3.7163 7.9693 117.2035 59.8037 29.5732 178.8010 50 D 4.2820 7.7866 118.5362 57.2084 40.7511 177.8494 51 C 2.4596 7.5342 118.8372 59.4372 41.1570 175.7098 52 M 3.8250 7.7529 118.3193 57.9630 30.5071 178.3631 53 R 3.8433 7.4191 119.1320 59.3204 30.3588 178.2018 54 T 4.0278 7.7002 114.7696 66.2557 68.6826 175.5012 55 C 4.4018 8.0159 116.3174 57.1637 41.4337 174.1818 56 G 3.5335 7.3945 113.7041 45.5843 0.0000 173.2704 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 R 8.25 4.14 0.00 1.65 1.81 0.00 2.98 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 2 P 0.00 4.00 0.00 0.92 1.54 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 3 D 8.37 4.35 0.00 2.74 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 4 F 7.91 4.34 0.00 3.23 3.33 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 5 C 7.39 4.80 0.00 2.96 3.23 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 0.00 0.00 0.00 0.00 6 L 7.92 4.31 0.00 1.81 1.76 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.66 4.22 0.00 2.06 1.91 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 2.39 2.47 0.00 8 P 0.00 4.62 0.00 2.10 2.03 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.65 0.00 0.70 0.49 0.00 3.34 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.00 10 Y 7.96 4.68 0.00 2.77 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 11 T 8.34 4.07 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 1.18 0.00 0.00 12 G 6.83 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 13 P 0.00 4.27 0.00 2.17 2.19 0.00 3.77 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 1.97 2.02 0.00 14 C 7.84 4.47 0.00 2.91 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 15 K 8.19 4.10 0.00 1.77 1.85 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.42 7.81 16 A 7.73 4.18 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 17 R 8.04 4.95 0.00 1.59 1.77 0.00 3.16 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.50 4.42 1.87 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 1.22 0.77 0.92 0.00 0.00 19 I 8.13 4.34 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 1.24 0.40 0.60 0.00 0.00 20 R 8.32 4.55 0.00 0.84 1.89 0.00 3.36 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.00 21 Y 9.15 5.71 0.00 3.16 3.04 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 22 F 9.33 5.69 0.00 3.14 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 23 Y 9.73 4.44 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 4.35 0.00 2.30 2.44 0.00 0.00 6.62 9.17 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 25 A 8.49 3.81 1.35 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 0.00 0.00 0.00 26 K 8.21 3.96 0.00 1.92 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 27 A 7.97 4.13 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 4.17 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 0.00 29 L 6.62 4.60 0.00 1.53 1.31 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 5.04 0.00 2.90 3.08 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 31 Q 8.57 4.83 0.00 1.61 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 32 T 8.53 5.19 4.15 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 1.08 0.00 0.00 33 F 8.66 4.93 0.00 2.97 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 34 V 8.42 4.28 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 0.70 0.00 0.00 0.89 0.00 0.00 35 Y 9.16 4.71 0.00 2.42 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 36 G 8.10 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 37 G 7.07 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 38 C 7.05 4.79 0.00 3.04 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 39 R 8.70 3.75 0.00 2.08 2.27 0.00 3.30 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 40 A 8.07 4.44 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.21 4.47 0.00 1.73 1.80 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.11 1.15 7.81 42 R 8.21 3.48 0.00 1.40 0.66 0.00 2.89 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 43 N 7.48 4.67 0.00 3.20 2.86 0.00 0.00 6.94 7.67 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 44 N 6.82 5.01 0.00 2.66 2.52 0.00 0.00 7.10 7.02 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 45 F 9.43 4.97 0.00 3.33 3.11 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 46 K 9.04 4.03 0.00 1.78 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.04 4.81 0.00 3.94 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 48 A 7.97 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.97 3.72 0.00 1.96 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 2.33 2.35 0.00 50 D 7.79 4.28 0.00 2.87 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 51 C 7.53 2.46 0.00 2.84 3.04 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 52 M 7.75 3.83 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 53 R 7.42 3.84 0.00 1.84 1.93 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 T 7.70 4.03 4.15 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 1.54 0.00 0.00 55 C 8.02 4.40 0.00 2.62 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 0.00 0.00 0.00 0.00 56 G 7.39 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 0.00 0.00 0.00