NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 4.8433 8.2749 130.5385 57.3848 31.8921 174.3319 2 Q 3.5695 7.1066 121.5398 51.1395 32.4884 172.3231 3 P 4.2425 0.0000 0.0000 62.0636 34.2568 172.2905 4 P 4.6448 0.0000 0.0000 62.5357 29.4843 176.9164 5 W 4.3394 8.2878 115.8340 57.8844 29.3763 178.2773 6 Y 4.8181 6.4175 115.8994 61.1120 37.9094 179.8336 7 C 4.6735 8.7377 115.4522 59.9222 40.4272 174.8487 8 K 4.2355 7.8693 115.6769 55.8752 31.7656 175.4700 9 E 4.4470 8.1775 121.9728 54.0769 30.3565 174.1129 10 P 4.4172 0.0000 0.0000 62.3316 32.0833 176.2597 11 V 3.5623 7.7671 121.5649 61.0934 32.1237 175.7802 12 R 4.6017 8.1821 122.1146 54.4946 33.5603 174.6629 13 I 4.3048 8.7380 121.9656 61.9970 39.1394 175.9583 14 G 3.7749 9.7090 104.6248 45.0574 0.0000 172.6606 15 S 4.3023 7.6340 115.6199 58.6026 65.0377 171.5671 16 C 4.8449 7.9282 116.9722 54.5132 43.6471 174.4768 17 K 4.2274 8.4455 121.2439 55.9795 31.7971 176.9500 18 K 4.5028 7.4442 118.4214 55.0379 36.0943 174.5793 19 Q 4.6414 8.1618 124.4032 54.0082 32.0489 174.6245 20 F 5.0132 9.0994 122.3230 55.5068 41.9488 175.1738 21 S 4.4952 8.6983 117.4771 58.5147 62.9697 173.1933 22 S 4.5601 8.0744 119.5674 56.8652 66.9939 172.6171 23 F 5.5520 8.7923 118.0020 55.9415 42.8836 173.5760 24 Y 6.1162 9.3079 121.3349 54.5449 40.9959 174.3893 25 F 4.7623 9.6480 124.8792 57.2025 40.5104 174.9399 26 K 4.6555 8.6054 128.8309 55.1380 32.4352 177.0178 27 W 4.5854 9.4248 135.0000 60.5182 30.9215 176.9769 28 T 3.8729 7.8419 105.9479 62.0461 68.8575 175.5506 29 A 4.2689 7.7983 123.0993 53.4250 19.9036 178.0172 30 K 4.2167 9.2729 115.4203 55.9523 31.6000 175.1523 31 K 3.9224 6.8684 114.7629 55.0726 36.3543 175.0908 32 C 4.7431 7.9175 117.5625 55.9779 40.3939 173.3784 33 L 4.9010 8.2888 122.8818 52.2482 44.1687 174.1107 34 P 5.0655 0.0000 0.0000 62.7357 33.0124 175.6264 35 F 4.9725 8.7692 115.5255 56.4304 41.1099 172.7529 36 L 4.7690 8.5763 116.3254 53.5908 45.8832 175.4419 37 F 4.9948 9.1827 124.4287 56.9289 41.3069 176.6157 38 S 4.3524 8.1195 122.6188 62.0728 62.7966 174.3236 39 G 3.2292 6.8912 109.7003 46.2578 0.0000 175.7061 40 C 4.4702 7.7730 120.1643 53.6353 39.1996 172.6943 41 G 3.7111 7.4768 110.6639 45.6556 0.0000 170.9459 42 G 4.7592 7.8113 109.3596 44.2588 0.0000 170.4456 43 N 5.0733 8.8976 117.6583 52.9536 36.5744 175.4371 44 A 4.4967 6.5247 112.7053 51.8883 21.4403 177.2996 45 N 4.9370 8.4771 116.8652 54.9417 39.5406 174.2152 46 R 4.9667 7.7064 113.3929 53.9122 30.5794 174.4882 47 F 4.7576 8.8887 123.1808 56.0875 39.9182 177.3329 48 Q 4.2438 8.8636 123.8193 58.2299 28.7971 175.3677 49 T 4.8156 7.5670 107.7759 60.2275 71.9528 173.5363 50 I 3.6231 7.7669 119.4124 61.0031 37.6965 175.9992 51 G 3.7874 7.2373 106.9417 46.3930 0.0000 174.8697 52 E 4.0864 7.6990 120.8017 58.4088 29.5456 177.3634 53 C 2.0000 7.8936 118.9231 59.0810 43.0832 175.7867 54 R 3.6906 7.5426 114.3312 57.7276 29.4131 177.8361 55 K 4.0969 7.5208 117.2636 57.3024 32.5511 177.5199 56 K 3.7952 7.5400 116.9201 56.9248 33.3219 177.6633 57 C 4.8137 6.8095 109.6109 56.0547 40.9001 174.4954 58 L 2.7732 6.2705 117.5827 52.8922 44.5655 176.3996 59 G 3.7119 8.7094 104.7644 45.0432 0.0000 173.3273 60 K 4.0487 7.1954 120.3101 57.1057 32.4045 176.3528 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 W 8.27 4.84 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.11 3.57 0.00 1.79 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 3 P 0.00 4.24 0.00 2.31 2.38 0.00 3.35 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 4 P 0.00 4.64 0.00 1.99 1.35 0.00 4.09 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.27 0.00 5 W 8.29 4.34 0.00 3.22 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 6.42 4.82 0.00 3.00 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 7 C 8.74 4.67 0.00 3.35 3.66 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 8 K 7.87 4.24 0.00 1.52 1.40 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.54 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.51 7.81 9 E 8.18 4.45 0.00 2.47 2.17 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 2.35 2.39 0.00 10 P 0.00 4.42 0.00 2.04 1.92 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 11 V 7.77 3.56 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 0.00 0.00 0.20 0.00 0.00 -0.52 0.00 0.00 12 R 8.18 4.60 0.00 1.90 2.07 0.00 3.37 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 13 I 8.74 4.30 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.03 0.96 0.00 0.00 14 G 9.71 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 15 S 7.63 4.30 0.00 3.81 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 16 C 7.93 4.84 0.00 2.97 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 17 K 8.45 4.23 0.00 1.73 1.81 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.34 7.81 18 K 7.44 4.50 0.00 1.63 1.32 0.00 1.63 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.46 1.14 7.81 19 Q 8.16 4.64 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.42 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 20 F 9.10 5.01 0.00 3.13 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 21 S 8.70 4.50 0.00 3.85 3.73 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 22 S 8.07 4.56 0.00 3.15 3.32 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 23 F 8.79 5.55 0.00 3.25 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 24 Y 9.31 6.12 0.00 3.15 3.16 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 25 F 9.65 4.76 0.00 3.34 3.22 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 26 K 8.61 4.66 0.00 1.80 1.76 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.29 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.48 7.81 27 W 9.42 4.59 0.00 3.71 3.36 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 28 T 7.84 3.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 29 A 7.80 4.27 1.24 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 0.00 0.00 30 K 9.27 4.22 0.00 1.85 2.11 0.00 1.94 0.00 0.00 1.86 0.00 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.53 7.81 31 K 6.87 3.92 0.00 1.49 1.59 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.19 1.22 7.81 32 C 7.92 4.74 0.00 2.67 3.15 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 0.00 33 L 8.29 4.90 0.00 0.48 1.31 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 5.07 0.00 2.00 2.11 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 35 F 8.77 4.97 0.00 3.13 3.29 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 36 L 8.58 4.77 0.00 1.47 1.56 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.18 4.99 0.00 2.95 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 38 S 8.12 4.35 0.00 3.57 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.89 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 0.00 0.00 0.00 40 C 7.77 4.47 0.00 3.10 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 41 G 7.48 3.71 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 0.00 0.00 0.00 42 G 7.81 4.76 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 43 N 8.90 5.07 0.00 2.78 2.36 0.00 0.00 5.68 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 44 A 6.52 4.50 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.94 0.00 3.12 2.91 0.00 0.00 7.06 8.24 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 46 R 7.71 4.97 0.00 1.82 2.05 0.00 2.62 0.00 0.00 2.47 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 47 F 8.89 4.76 0.00 3.37 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.86 4.24 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 49 T 7.57 4.82 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 50 I 7.77 3.62 0.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.22 0.62 0.00 0.00 51 G 7.24 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 52 E 7.70 4.09 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 53 C 7.89 2.00 0.00 2.51 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 54 R 7.54 3.69 0.00 1.88 2.04 0.00 2.88 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 55 K 7.52 4.10 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.28 7.81 56 K 7.54 3.80 0.00 1.54 0.74 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.97 7.81 57 C 6.81 4.81 0.00 1.23 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 58 L 6.27 2.77 0.00 1.34 1.27 0.99 0.72 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 59 G 8.71 3.71 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 0.00 0.00 0.00 60 K 7.20 4.05 0.00 1.72 1.63 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.09 1.31 7.81