NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3895 8.3344 116.7911 58.2916 64.3120 172.6355 2 V 3.7160 8.0264 121.3191 62.3310 32.3283 173.4431 3 S 3.7256 9.1504 117.7464 59.7188 61.3073 171.1125 4 E 4.2925 7.9906 113.2477 56.3403 29.9911 176.8588 5 I 4.5533 7.5452 114.3632 60.7788 39.8890 176.0892 6 Q 4.2258 7.8765 121.4772 55.9503 26.5942 175.1818 7 L 3.7499 7.9891 124.6441 56.4221 39.7251 174.2064 8 M 3.3063 8.3152 111.5658 56.3586 29.8135 176.9747 9 H 4.2359 8.5818 109.5438 59.3732 28.1127 175.0897 10 N 3.8539 7.9028 112.9562 55.7602 37.0424 172.7564 11 L 4.3350 7.1518 123.9925 54.1622 44.0560 176.5537 12 G 3.9474 8.2052 106.5355 45.9399 0.0000 173.4480 13 K 3.9685 8.6591 125.7300 58.4364 30.2260 175.5010 14 H 3.8328 8.2035 109.4945 56.8382 25.7351 176.5503 15 L 4.2503 7.3255 117.6222 54.8277 42.1946 177.6151 16 N 5.0625 8.2765 124.6870 52.0697 42.1725 175.1327 17 S 4.1285 8.4561 116.0081 63.1171 62.9698 176.4054 18 M 4.1778 7.9908 120.2092 57.6388 31.4599 178.1232 19 E 4.1721 8.1159 119.5672 58.8541 29.9206 178.2658 20 R 4.2953 8.2588 119.2412 59.2577 30.0300 178.8861 21 V 3.6192 7.7139 119.4285 64.8004 31.4712 178.0954 22 E 3.9353 7.9906 118.7444 58.2891 29.4870 178.2024 23 W 4.4148 8.6028 129.0309 60.7540 30.7238 177.5552 24 L 2.7781 7.6655 120.0314 57.9004 41.1375 179.1653 25 R 3.8049 7.2139 117.1109 59.1575 29.9320 178.9086 26 K 4.1153 7.9791 118.5754 59.0593 32.0400 179.5049 27 K 3.9935 7.9605 119.0733 59.2647 31.9981 179.3274 28 L 3.7908 7.4070 120.2526 56.8240 42.3391 178.2962 29 Q 4.4574 7.3160 118.9632 54.7351 28.4069 174.2053 30 D 4.5950 7.3095 119.4959 55.4846 47.3800 177.0027 31 V 3.1615 7.4658 117.8161 63.9829 31.1548 176.1252 32 H 4.8188 7.3992 118.8127 55.1693 30.2637 172.6074 33 N 4.7505 7.8084 116.3454 53.1550 44.2326 174.5780 34 F 4.2712 7.5783 114.6834 56.9277 36.4065 175.6664 35 V 4.3993 7.3004 117.4524 61.3956 35.3501 175.4975 36 A 4.5154 8.4190 132.0194 49.9291 17.5304 176.7427 37 L 4.0770 7.3383 125.8312 54.8737 42.0336 174.7704 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 S 8.33 4.39 0.00 3.99 3.85 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 2 V 8.03 3.72 2.06 0.00 0.00 0.00 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 0.92 0.00 0.00 3 S 9.15 3.73 0.00 4.00 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 4 E 7.99 4.29 0.00 1.91 1.86 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 1.86 2.21 0.00 5 I 7.55 4.55 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.91 0.00 0.00 6 Q 7.88 4.23 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.90 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 7 L 7.99 3.75 0.00 1.89 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.32 3.31 0.00 2.25 2.07 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 2.57 2.49 0.00 9 H 8.58 4.24 0.00 3.32 3.44 0.00 5.35 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.90 3.85 0.00 2.66 3.08 0.00 0.00 6.86 7.75 0.00 0.00 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 L 7.15 4.33 0.00 1.31 1.40 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.21 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 0.00 0.00 0.00 0.00 13 K 8.66 3.97 0.00 2.08 1.94 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.41 7.81 14 H 8.20 3.83 0.00 3.27 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.33 4.25 0.00 1.44 1.56 0.48 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.28 5.06 0.00 2.82 2.78 0.00 0.00 7.11 7.63 0.00 0.00 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 8.46 4.13 0.00 3.88 3.92 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 0.00 0.00 0.00 18 M 7.99 4.18 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 19 E 8.12 4.17 0.00 2.21 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 2.33 0.00 20 R 8.26 4.30 0.00 2.26 2.03 0.00 3.12 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.11 0.00 21 V 7.71 3.62 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 0.91 0.00 0.00 0.93 0.00 0.00 22 E 7.99 3.94 0.00 2.27 2.05 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 2.34 2.39 0.00 23 W 8.60 4.41 0.00 3.31 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 24 L 7.67 2.78 0.00 1.34 1.55 0.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.21 3.80 0.00 2.02 1.92 0.00 3.30 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 1.59 1.82 0.00 26 K 7.98 4.12 0.00 2.08 1.92 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.49 7.81 27 K 7.96 3.99 0.00 1.29 0.74 0.00 1.09 0.00 0.00 1.28 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 1.05 7.81 28 L 7.41 3.79 0.00 1.70 1.66 0.85 0.85 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 29 Q 7.32 4.46 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 30 D 7.31 4.59 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.16 2.08 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 0.75 0.00 0.00 0.99 0.00 0.00 32 H 7.40 4.82 0.00 3.03 3.21 0.00 5.77 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 33 N 7.81 4.75 0.00 2.80 2.82 0.00 0.00 6.26 7.55 0.00 0.00 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 F 7.58 4.27 0.00 3.27 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 35 V 7.30 4.40 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 0.82 0.00 0.00 1.02 0.00 0.00 36 A 8.42 4.52 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 37 L 7.34 4.08 0.00 1.58 1.49 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00