NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3130 8.2649 123.5815 52.0273 18.7788 176.4746 2 M 4.1782 8.2293 120.8970 55.2440 33.1207 173.9184 3 E 3.9851 9.7363 122.4402 59.7012 30.7265 179.0297 4 K 3.8996 8.2310 113.7715 57.1777 31.1141 177.6244 5 V 3.7249 8.0263 119.9371 64.6339 31.4107 178.1887 6 Q 3.9534 8.0489 119.8148 58.9542 28.9078 177.3031 7 Y 4.0212 8.0208 120.0347 60.8577 38.9053 177.7044 8 L 4.1448 7.7419 121.0373 57.5179 41.7754 179.8283 9 T 3.7896 7.7128 115.1604 66.5750 68.3306 176.6156 10 R 3.8189 7.8566 120.8298 59.4751 29.9535 178.7375 11 S 3.9940 7.9913 113.8298 60.9178 62.7324 176.2661 12 A 3.9101 7.6883 124.2636 55.0728 18.4330 179.0377 13 I 3.8199 7.6155 116.3911 63.4499 37.8315 177.9126 14 R 3.8340 7.5567 119.7211 59.6283 29.7814 178.3596 15 R 3.6905 7.7320 117.4624 59.5547 29.8001 178.6472 16 A 3.5084 7.7590 119.4426 55.6295 18.2925 179.2035 17 S 4.2882 8.9423 114.7076 60.0502 63.6708 175.4663 18 T 4.6489 7.2576 114.7336 62.1911 67.9199 176.0121 19 I 3.5705 8.4567 123.8745 63.7111 38.4384 174.8532 20 E 4.5616 7.8801 120.0562 54.1474 30.1895 173.9180 21 M 4.3336 8.5870 122.7990 56.5985 32.5943 175.7823 22 P 4.1986 0.0000 0.0000 63.5425 31.7367 177.2182 23 Q 4.1879 8.7193 121.2859 57.4925 28.9597 177.3430 24 Q 4.3199 7.7878 119.9511 58.1259 30.1287 177.0837 25 A 3.6345 7.8790 121.0518 54.8981 18.0688 179.3955 26 R 3.8163 8.0166 117.6451 59.5769 30.0808 178.4612 27 Q 4.2412 7.9312 116.8260 57.9691 29.1821 177.5558 28 N 4.3638 8.9492 119.0473 56.7759 38.9729 177.0420 29 L 4.0460 7.8745 120.3079 57.9715 41.7578 179.5668 30 Q 4.1796 7.8740 116.5968 58.7478 28.4293 178.4002 31 N 4.4391 8.9589 118.9510 56.2753 38.3198 177.3229 32 L 4.0338 7.8657 120.0774 57.6711 41.6249 179.3499 33 F 4.5147 8.0945 120.2887 61.4364 39.4004 177.2825 34 I 3.6332 8.5390 119.7249 64.4124 37.0103 178.0232 35 N 4.2791 9.1638 119.0818 56.6928 38.7000 176.7459 36 F 4.2704 9.3588 122.8256 61.0307 39.2959 176.9672 37 A 3.5478 7.8895 120.9249 54.6474 18.1247 179.5403 38 L 3.7531 7.6476 117.6133 57.8908 41.6385 179.8268 39 I 3.7140 7.4395 119.2778 64.2347 36.9745 178.5207 40 L 3.7943 7.1811 119.8475 57.6963 41.4195 179.3908 41 I 3.5861 8.2105 119.2195 63.9573 37.9353 177.6022 42 F 4.0511 8.6140 121.8706 61.3722 39.1190 177.1050 43 L 3.8628 8.1103 118.5361 57.7791 41.4135 179.5730 44 L 3.9515 8.2324 119.3561 57.6063 41.4573 179.5322 45 L 3.8874 8.3931 119.3549 57.7525 41.4590 179.4065 46 I 3.4392 7.3308 118.2973 63.7040 37.8112 177.6529 47 A 3.9484 7.5938 121.5218 55.3221 18.2219 179.6993 48 I 3.6010 7.6509 118.1201 64.5572 37.0403 178.8286 49 I 3.6580 7.8483 120.7422 64.2539 36.6991 178.6891 50 V 3.5600 8.1821 118.7559 66.4257 31.4922 177.8468 51 M 4.1811 8.3390 117.2724 57.9382 31.7755 178.0950 52 L 4.0704 8.0456 120.5139 58.0163 42.3169 177.2558 53 L 4.2840 7.5027 122.3625 54.9988 41.7238 176.7001 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 A 8.26 4.31 1.29 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 0.00 0.00 2 M 8.23 4.18 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 3 E 9.74 3.99 0.00 2.04 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 2.41 2.35 0.00 4 K 8.23 3.90 0.00 1.94 1.92 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.33 7.81 5 V 8.03 3.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.94 0.00 0.00 6 Q 8.05 3.95 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 7 Y 8.02 4.02 0.00 3.13 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 8 L 7.74 4.14 0.00 1.87 1.73 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.71 3.79 4.37 0.00 0.00 0.00 0.00 0.00 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 10 R 7.86 3.82 0.00 1.79 1.79 0.00 3.07 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 11 S 7.99 3.99 0.00 3.89 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.91 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 13 I 7.62 3.82 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.93 0.00 0.00 14 R 7.56 3.83 0.00 1.81 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 15 R 7.73 3.69 0.00 1.98 1.95 0.00 3.15 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 16 A 7.76 3.51 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.94 4.29 0.00 3.73 3.84 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 0.00 0.00 0.00 18 T 7.26 4.65 4.23 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 1.20 0.00 0.00 19 I 8.46 3.57 1.87 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 1.15 0.88 0.91 0.00 0.00 20 E 7.88 4.56 0.00 1.90 1.77 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 2.33 2.31 0.00 21 M 8.59 4.33 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 22 P 0.00 4.20 0.00 2.24 2.01 0.00 3.49 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 23 Q 8.72 4.19 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 24 Q 7.79 4.32 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 25 A 7.88 3.63 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 26 R 8.02 3.82 0.00 2.24 1.94 0.00 3.08 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 27 Q 7.93 4.24 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 28 N 8.95 4.36 0.00 2.75 2.84 0.00 0.00 7.17 5.12 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 29 L 7.87 4.05 0.00 1.83 1.70 0.95 0.85 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 30 Q 7.87 4.18 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 31 N 8.96 4.44 0.00 2.93 2.90 0.00 0.00 6.92 6.64 0.00 0.00 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 L 7.87 4.03 0.00 1.92 1.76 0.93 1.40 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 33 F 8.09 4.51 0.00 3.16 3.35 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 34 I 8.54 3.63 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.90 0.93 0.00 0.00 35 N 9.16 4.28 0.00 2.67 2.90 0.00 0.00 6.93 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 36 F 9.36 4.27 0.00 2.99 3.17 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 37 A 7.89 3.55 1.01 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 38 L 7.65 3.75 0.00 1.84 1.68 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.44 3.71 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.90 0.00 0.00 40 L 7.18 3.79 0.00 1.42 1.48 0.34 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.21 3.59 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.30 0.98 0.00 0.00 42 F 8.61 4.05 0.00 3.14 3.07 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 43 L 8.11 3.86 0.00 1.89 1.67 0.96 0.59 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 44 L 8.23 3.95 0.00 1.77 1.65 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.39 3.89 0.00 1.63 1.57 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.33 3.44 1.34 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.82 0.00 0.00 47 A 7.59 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 48 I 7.65 3.60 1.96 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 1.48 0.73 0.88 0.00 0.00 49 I 7.85 3.66 1.91 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 1.53 1.05 0.87 0.00 0.00 50 V 8.18 3.56 2.22 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 0.76 0.00 0.00 0.91 0.00 0.00 51 M 8.34 4.18 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 52 L 8.05 4.07 0.00 1.66 1.88 0.91 0.98 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 53 L 7.50 4.28 0.00 1.71 1.55 0.90 0.81 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