NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3292 8.3381 120.2085 55.8254 31.8332 175.9211 2 P 4.3366 0.0000 0.0000 61.5565 32.5307 174.0616 3 D 4.5827 8.1697 115.4633 56.3968 42.2208 179.5373 4 F 4.9680 7.9215 115.9914 59.2939 37.5457 177.5585 5 C 4.5503 6.8056 116.0397 58.7177 40.0960 174.6899 6 L 4.2513 7.7553 119.1634 54.3602 42.4670 176.6917 7 E 4.2098 7.6071 120.6860 55.0078 30.1163 174.9467 8 P 4.5577 0.0000 0.0000 61.5377 32.1036 174.3569 9 P 3.6690 0.0000 0.0000 62.6594 31.4694 175.1452 10 Y 4.6610 7.9876 122.0747 56.0390 40.0199 175.4183 11 T 4.1358 8.5062 125.4121 64.7230 68.9118 176.4388 12 G 3.7643 6.2085 109.7610 43.8548 0.0000 170.7834 13 P 4.4236 0.0000 0.0000 64.2589 32.2364 177.3469 14 C 4.4662 7.8521 116.7457 56.9402 40.7153 173.6438 15 K 4.5113 8.1860 120.7546 56.2965 32.6279 176.6828 16 A 4.2429 7.8600 120.5171 51.5722 20.4793 177.6802 17 R 4.9372 8.3374 120.1484 54.2910 29.7878 173.0075 18 I 4.4163 8.1971 122.5931 58.9225 39.7658 174.5496 19 I 4.3769 8.3504 128.5884 61.0518 37.8506 175.3085 20 R 4.8251 8.2510 126.0076 54.4590 34.2740 173.8591 21 Y 5.5579 9.0461 116.4239 56.7170 41.3340 175.4304 22 F 5.7404 9.6911 116.8844 55.3658 41.8196 172.8713 23 Y 4.4466 9.8083 122.7091 57.4752 40.0333 173.7298 24 N 4.7732 8.1103 126.6423 51.5555 39.2279 174.9444 25 A 3.7059 8.3332 129.7228 54.5149 19.0181 178.8007 26 K 4.0214 8.1608 116.7036 59.4285 32.3271 178.1091 27 A 4.0265 8.0535 120.0876 52.7741 18.6434 177.2453 28 G 3.9379 8.2546 103.7875 45.5656 0.0000 172.8981 29 L 4.6382 7.0156 117.7752 54.5479 44.3032 174.3970 30 C 5.0983 8.6429 116.6169 56.4330 36.7702 173.4803 31 Q 4.8679 9.0084 122.3038 54.0224 32.9113 174.8828 32 T 5.1747 8.5880 110.8485 61.2717 70.4377 173.3464 33 F 4.8296 8.1928 115.5060 56.4498 41.1353 172.6209 34 V 4.3998 8.6295 119.9555 61.9238 32.3668 174.0877 35 Y 4.7733 8.7429 130.5769 56.0212 40.4756 175.9145 36 G 4.4563 7.9450 112.8759 45.4065 0.0000 174.7829 37 G 3.7713 6.3527 107.8540 45.3213 0.0000 172.8381 38 C 4.9142 6.8342 111.3768 55.4777 44.2927 173.4400 39 R 3.9657 8.8061 117.3827 57.0097 26.9058 176.4172 40 A 4.2001 8.4477 119.4489 52.9487 18.6276 178.3376 41 K 4.4281 8.2591 119.8199 54.6779 34.3002 177.0644 42 R 3.6581 8.1201 117.8150 59.0190 30.3204 177.5231 43 N 4.9201 7.9649 117.9142 51.4774 36.6278 173.8957 44 N 4.9057 6.5617 115.3083 53.0460 41.3838 173.4463 45 F 5.1039 9.4436 125.5318 55.7246 42.6675 176.7013 46 K 4.3982 9.1108 119.9501 57.9776 33.0032 177.5601 47 S 4.5539 7.7065 112.4703 55.4763 67.3206 174.5125 48 A 3.2439 7.3035 123.9749 55.0559 17.9692 179.9558 49 E 3.9480 7.7166 116.7346 59.3900 29.5671 178.9396 50 D 4.3456 7.8981 119.0158 57.1694 40.8476 177.9016 51 C 2.4766 7.6809 118.5502 59.4920 40.8744 175.6263 52 M 3.8513 8.2569 120.5203 58.2892 31.2613 178.8224 53 R 3.8045 8.0331 118.3531 59.5181 30.3124 178.4822 54 T 4.0449 7.7126 114.8446 66.3282 68.5384 175.4171 55 C 4.6112 8.3106 117.7133 56.5615 41.3084 174.0086 56 G 3.5809 6.9332 109.6185 48.4073 0.0000 172.9132 57 G 4.0053 8.9024 114.0718 45.2317 0.0000 173.1271 58 A 4.5953 7.0359 127.0715 51.1137 19.1085 177.5853 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 8.34 4.33 0.00 1.76 1.89 0.00 3.14 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 2 P 0.00 4.34 0.00 1.73 2.07 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.92 0.00 3 D 8.17 4.58 0.00 2.72 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 4 F 7.92 4.97 0.00 3.34 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 6.81 4.55 0.00 3.04 3.14 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 6 L 7.76 4.25 0.00 1.80 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.61 4.21 0.00 2.18 1.88 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 2.36 2.52 0.00 8 P 0.00 4.56 0.00 2.06 1.97 0.00 3.75 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 1.96 1.93 0.00 9 P 0.00 3.67 0.00 0.85 0.49 0.00 3.26 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 10 Y 7.99 4.66 0.00 2.77 2.93 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 11 T 8.51 4.14 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 1.20 0.00 0.00 12 G 6.21 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 13 P 0.00 4.42 0.00 2.16 2.17 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 14 C 7.85 4.47 0.00 2.85 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 15 K 8.19 4.51 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.86 4.24 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.34 4.94 0.00 1.75 1.79 0.00 3.33 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 18 I 8.20 4.42 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.43 0.99 0.00 0.00 19 I 8.35 4.38 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 0.74 0.00 0.00 20 R 8.25 4.83 0.00 0.90 1.94 0.00 3.43 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 21 Y 9.05 5.56 0.00 3.18 3.01 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 22 F 9.69 5.74 0.00 3.20 3.02 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 23 Y 9.81 4.45 0.00 3.15 3.24 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 0.00 24 N 8.11 4.77 0.00 2.31 2.46 0.00 0.00 6.66 7.24 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 25 A 8.33 3.71 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.02 0.00 1.74 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 A 8.05 4.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.94 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 0.00 0.00 0.00 29 L 7.02 4.64 0.00 1.68 1.74 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.64 5.10 0.00 2.93 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 4.87 0.00 1.19 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.14 1.94 0.00 32 T 8.59 5.17 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 0.56 0.00 0.00 33 F 8.19 4.83 0.00 3.07 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 34 V 8.63 4.40 2.11 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.74 4.77 0.00 2.51 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 36 G 7.94 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.35 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.83 4.91 0.00 3.06 2.97 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 0.00 0.00 0.00 39 R 8.81 3.97 0.00 2.24 2.30 0.00 3.34 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 40 A 8.45 4.20 1.07 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 41 K 8.26 4.43 0.00 1.72 1.69 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.20 7.81 42 R 8.12 3.66 0.00 1.25 0.66 0.00 2.45 0.00 0.00 2.85 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 43 N 7.96 4.92 0.00 3.23 2.88 0.00 0.00 6.73 7.79 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 44 N 6.56 4.91 0.00 2.74 2.61 0.00 0.00 7.09 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 9.44 5.10 0.00 3.24 2.96 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 0.00 0.00 0.00 46 K 9.11 4.40 0.00 1.83 1.94 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 47 S 7.71 4.55 0.00 4.00 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 7.30 3.24 0.96 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 0.00 0.00 0.00 0.00 0.00 49 E 7.72 3.95 0.00 1.98 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 2.33 2.36 0.00 50 D 7.90 4.35 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.68 2.48 0.00 2.94 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 52 M 8.26 3.85 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 53 R 8.03 3.80 0.00 1.79 2.00 0.00 3.23 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 54 T 7.71 4.04 3.95 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 1.61 0.00 0.00 55 C 8.31 4.61 0.00 2.64 2.28 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 56 G 6.93 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 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 58 A 7.04 4.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00