NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4383 8.3193 115.4127 58.4707 64.0698 172.6603 2 D 4.3652 8.2623 123.8527 53.2453 41.7128 172.7290 3 S 4.5832 8.3639 113.2309 57.4516 68.0533 176.7768 4 A 3.9800 8.7922 126.2205 54.9609 18.0567 179.0598 5 V 4.2695 7.6760 111.4096 61.6677 32.8462 176.3719 6 R 4.6622 7.9477 119.3975 54.6557 30.2536 174.8947 7 K 4.7504 7.6279 118.7736 54.1974 32.5782 175.2524 8 K 4.5854 7.9973 116.4862 55.2334 33.7403 177.6484 9 S 4.1911 7.8597 114.0673 60.4902 63.1023 175.4335 10 E 4.6202 7.4065 126.0677 54.0557 30.2514 174.8459 11 V 3.6644 7.9516 122.6239 63.5332 32.3018 175.7134 12 R 4.3370 7.0884 116.1976 55.6048 32.4288 174.9120 13 Q 4.2889 8.6123 123.6632 54.9598 27.4597 175.9359 14 K 4.0864 8.3848 123.0986 59.5770 33.1687 178.4224 15 T 4.0818 7.6500 112.4110 61.5526 68.0148 173.3073 16 V 4.3252 7.9885 125.4389 61.3445 33.3611 175.9431 17 V 4.3443 7.9596 123.4694 60.4728 33.2652 174.1021 18 R 4.5065 8.2623 123.3283 55.2578 32.9348 174.0731 19 T 4.2632 8.3132 118.6340 62.1168 68.6233 174.5457 20 L 4.4164 8.3768 129.5145 53.1699 42.7460 175.9828 21 R 4.5061 8.0636 125.1467 55.5211 31.3314 176.2147 22 F 4.7885 8.2480 117.5971 55.0378 43.0922 175.6232 23 S 4.5328 8.5635 120.2544 57.4080 64.9575 173.8967 24 P 4.3029 0.0000 0.0000 65.8970 31.1555 178.9401 25 V 3.5575 7.7205 117.5618 65.9543 31.6348 177.7123 26 E 3.9992 8.1498 117.7949 59.4112 29.3679 178.5597 27 D 4.2171 8.4860 118.4662 57.3359 41.2077 178.0200 28 E 3.8642 8.2259 119.5806 59.5563 29.6307 178.8923 29 T 3.7821 7.7035 115.3129 66.8064 68.5538 176.7685 30 I 3.3574 8.0794 122.0344 64.1711 37.0505 178.5224 31 R 3.7676 8.2296 120.0324 59.1145 29.8627 178.8766 32 K 3.8698 8.0038 118.4023 59.3320 32.0826 179.6035 33 K 3.8173 8.1164 118.8792 59.1990 31.8471 179.0102 34 A 3.9025 7.3788 120.9629 55.4244 18.3967 179.3398 35 E 3.8429 7.9829 117.3180 59.4364 29.4845 178.5772 36 D 4.3302 7.9750 117.2925 57.1525 41.4100 177.6340 37 S 4.3635 8.4200 112.4092 58.6148 62.5063 174.1584 38 G 3.8684 7.7739 108.3385 46.9714 0.0000 173.2443 39 L 4.8420 8.0061 118.1283 52.2292 45.0913 177.0758 40 T 4.2221 8.0887 114.1033 61.4286 69.4567 175.4342 41 V 3.5714 8.4232 125.5839 66.3204 31.3150 178.5232 42 S 4.0954 8.0586 112.8638 61.5774 62.8024 176.1807 43 A 3.9658 7.9841 124.5956 54.5594 18.0933 178.6473 44 Y 3.8453 8.3871 118.3499 61.0599 38.9113 178.1200 45 I 3.7430 8.1939 121.0825 64.4363 37.3696 178.2819 46 R 3.9057 8.2049 116.5245 59.5341 29.1530 178.1958 47 N 4.1541 8.3465 118.1425 56.2060 38.7789 176.6530 48 A 3.7925 7.6592 120.7026 54.9871 18.4381 179.1173 49 A 4.0945 7.8641 118.1942 54.5428 18.5642 179.3931 50 L 4.1612 7.5140 116.6138 57.3362 42.0847 176.7168 51 N 4.5076 7.9574 119.6841 53.4615 38.5664 174.8228 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 8.32 4.44 0.00 3.99 3.96 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 2 D 8.26 4.37 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.36 4.58 0.00 3.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 3.98 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 5 V 7.68 4.27 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 0.87 0.00 0.00 0.93 0.00 0.00 6 R 7.95 4.66 0.00 1.84 1.85 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 7 K 7.63 4.75 0.00 1.79 1.65 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.43 7.81 8 K 8.00 4.59 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.44 7.81 9 S 7.86 4.19 0.00 3.97 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 10 E 7.41 4.62 0.00 1.90 1.85 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 2.20 2.29 0.00 11 V 7.95 3.66 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 0.81 0.00 0.00 0.93 0.00 0.00 12 R 7.09 4.34 0.00 1.74 1.72 0.00 3.28 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 13 Q 8.61 4.29 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 14 K 8.38 4.09 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 15 T 7.65 4.08 4.24 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 1.22 0.00 0.00 16 V 7.99 4.33 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 0.86 0.00 0.00 0.93 0.00 0.00 17 V 7.96 4.34 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 0.71 0.00 0.00 0.94 0.00 0.00 18 R 8.26 4.51 0.00 1.74 1.79 0.00 3.21 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 19 T 8.31 4.26 4.24 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 1.23 0.00 0.00 20 L 8.38 4.42 0.00 1.62 1.73 0.22 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.06 4.51 0.00 1.78 1.79 0.00 3.22 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 22 F 8.25 4.79 0.00 2.93 2.91 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 0.00 0.00 0.00 23 S 8.56 4.53 0.00 4.12 3.82 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 0.00 0.00 0.00 0.00 24 P 0.00 4.30 0.00 2.27 2.32 0.00 3.72 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 2.08 2.03 0.00 25 V 7.72 3.56 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 1.02 0.00 0.00 0.94 0.00 0.00 26 E 8.15 4.00 0.00 2.38 2.16 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 2.51 2.50 0.00 27 D 8.49 4.22 0.00 2.85 2.91 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 0.00 0.00 0.00 28 E 8.23 3.86 0.00 2.13 2.15 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 2.28 2.32 0.00 29 T 7.70 3.78 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 30 I 8.08 3.36 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.65 0.00 0.00 31 R 8.23 3.77 0.00 1.78 2.06 0.00 3.04 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 K 8.00 3.87 0.00 2.04 1.76 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.47 7.81 33 K 8.12 3.82 0.00 1.44 1.18 0.00 1.50 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 A 7.38 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.84 0.00 2.18 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 2.27 2.33 0.00 36 D 7.97 4.33 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.42 4.36 0.00 4.05 4.10 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 0.00 0.00 0.00 0.00 38 G 7.77 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 0.00 0.00 0.00 39 L 8.01 4.84 0.00 1.68 1.61 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.09 4.22 4.24 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 1.26 0.00 0.00 41 V 8.42 3.57 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 0.90 0.00 0.00 0.87 0.00 0.00 42 S 8.06 4.10 0.00 4.10 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 0.00 43 A 7.98 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 3.85 0.00 3.05 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 45 I 8.19 3.74 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.93 1.05 0.00 0.00 46 R 8.20 3.91 0.00 2.03 2.21 0.00 2.78 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 47 N 8.35 4.15 0.00 2.79 2.85 0.00 0.00 6.96 7.99 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 48 A 7.66 3.79 0.90 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 0.00 0.00 49 A 7.86 4.09 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 50 L 7.51 4.16 0.00 1.75 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 N 7.96 4.51 0.00 2.75 2.69 0.00 0.00 7.03 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00