NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 V 4.0416 8.0549 120.3942 62.1548 33.4560 175.1520 14 N 4.5162 8.0300 117.4368 51.0265 39.2984 171.8429 15 P 5.0462 0.0000 0.0000 61.6340 35.0040 172.6574 16 K 4.4261 8.5281 117.2959 55.1848 36.0790 173.4306 17 P 4.8779 0.0000 0.0000 60.7920 32.4293 175.9729 18 F 4.0187 8.8507 126.3887 60.9603 39.7152 176.1194 19 L 3.9823 8.5484 120.0174 57.6724 42.0569 180.1168 20 K 4.6678 7.4975 118.2325 58.6393 33.1040 176.8608 21 G 3.7852 10.1192 105.4705 46.7736 0.0000 173.7728 22 L 4.5483 7.5319 118.4500 53.8976 42.9983 176.4260 23 V 3.9631 7.4988 118.7205 64.4131 31.7759 174.8199 24 N 4.2420 8.5432 120.7090 54.4262 37.0387 173.6890 25 H 4.9639 7.7755 113.4695 53.8473 32.3768 173.7797 26 R 4.6557 8.4493 121.6672 56.3005 31.1540 175.6622 27 V 4.8564 9.2443 119.4009 59.4500 36.4658 174.5519 28 G 4.2970 9.0725 109.0884 44.5623 0.0000 172.3752 29 V 4.6572 9.0277 126.5509 61.2233 33.4316 174.1205 30 K 4.4479 8.5025 130.4230 54.7709 33.6384 175.9051 31 L 4.5038 7.6788 127.5689 53.7639 42.4382 177.1927 32 K 4.0986 8.2621 120.7956 58.7296 32.4928 177.8195 33 F 4.7755 6.2428 113.6324 55.5937 40.0396 176.3752 34 N 4.3498 8.7046 121.7343 52.5049 36.6030 173.3367 35 S 4.7592 8.1958 108.5539 58.9250 62.6277 174.8613 36 T 4.7820 7.5989 114.6304 62.4269 70.8820 174.2920 37 E 4.6138 8.9875 124.7998 54.8776 33.9112 173.4723 38 Y 5.3801 9.1675 124.7357 56.8194 39.8605 175.0314 39 R 4.9863 9.6014 123.7567 53.9927 33.4805 177.5692 40 G 3.8363 7.2842 106.7207 46.5450 0.0000 170.4072 41 T 4.8386 8.1304 117.2924 61.9939 70.8350 174.6051 42 L 4.3381 8.7082 129.2832 54.2403 41.0641 177.2079 43 V 3.7010 8.2892 124.8239 65.2481 31.9714 175.2579 44 S 4.6504 7.2240 112.0062 58.3567 66.5181 172.3110 45 T 4.6947 7.7990 115.3356 63.7077 71.3401 172.6137 46 D 5.1978 7.7142 124.3822 52.7247 41.4023 176.3051 47 N 4.6038 8.8620 117.7466 54.2951 38.8720 174.8086 48 Y 4.4136 8.4032 115.2491 57.1467 38.4840 175.4583 49 F 3.5877 7.4414 116.8864 58.7255 37.2340 174.1058 50 N 5.3976 8.1790 116.5718 51.8032 41.2193 174.6263 51 L 4.8297 8.6333 121.8304 54.3244 44.4797 174.8650 52 Q 4.1180 8.4804 124.6087 54.8921 29.8833 173.7825 53 L 4.8654 8.4479 129.6596 53.2717 44.8912 174.3892 54 N 5.7372 9.5831 123.9617 51.5155 41.4868 173.9701 55 E 3.8649 8.3242 123.0783 57.5183 27.6381 174.8989 56 A 4.5988 8.2205 121.2914 51.8971 20.7368 177.8154 57 E 5.0583 9.3837 122.0726 54.3731 33.3107 174.3145 58 E 4.8518 9.1390 128.2712 56.1193 31.4517 175.2040 59 F 4.9311 9.3124 124.5636 55.6195 43.3650 173.7673 60 V 4.5997 8.3979 123.0726 61.4196 33.7756 175.0286 61 A 3.9726 9.6477 129.0189 51.8130 16.7723 176.8817 62 G 3.9925 8.4824 103.2817 47.2271 0.0000 173.7870 63 V 4.3709 7.9624 119.3580 60.0977 33.6814 174.8134 64 S 3.8071 8.4794 121.9519 58.5928 62.6809 173.6429 65 H 4.7250 8.4919 126.2481 55.4595 29.4720 174.0103 66 G 3.8306 8.5177 106.3748 44.8970 0.0000 172.7355 67 T 4.9511 8.0678 114.2839 61.6929 70.6950 174.1428 68 L 4.6620 8.2731 126.3660 52.2481 44.6421 178.0458 69 G 4.3468 8.5228 113.3455 46.5656 0.0000 176.6785 70 E 4.9663 9.1699 125.4617 55.2266 31.0224 174.0711 71 I 4.9886 8.3804 116.0780 59.1680 41.7294 174.3818 72 F 4.9561 8.9250 121.6670 56.0197 41.0574 174.7663 73 I 4.3535 9.0085 125.6272 60.3528 38.8293 175.2144 74 R 4.9773 8.5374 126.1527 55.9639 31.8963 177.9910 75 S 4.2389 8.9452 120.9535 61.8566 62.7782 173.3764 76 N 4.2593 8.4645 117.6305 56.6251 38.4863 176.4323 77 N 4.5931 8.0970 111.5232 54.4807 38.6094 174.5246 78 V 4.6297 7.9239 119.2446 61.2311 33.2529 175.0012 79 L 4.3767 9.0256 131.1102 57.0797 42.4577 175.7233 80 Y 4.9284 6.9537 114.0515 56.4360 41.2472 172.3484 81 I 5.3859 8.6643 120.0557 59.6283 40.4079 175.3531 82 R 4.7549 8.9512 121.3684 54.3254 33.5039 173.5141 83 E 4.5059 8.6282 121.4844 55.5158 30.4967 175.7950 84 L 4.3050 8.5934 128.3842 53.5384 42.1797 175.1959 85 P 4.1019 0.0000 0.0000 62.9636 31.5683 175.7908 86 N 4.4908 8.7204 117.3501 53.7444 38.4010 174.8380 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 13 V 8.05 4.04 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 1.00 0.00 0.00 0.94 0.00 0.00 14 N 8.03 4.52 0.00 2.85 2.75 0.00 0.00 6.73 7.13 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 15 P 0.00 5.05 0.00 2.12 2.05 0.00 3.51 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 16 K 8.53 4.43 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 17 P 0.00 4.88 0.00 2.17 2.16 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 18 F 8.85 4.02 0.00 3.06 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 19 L 8.55 3.98 0.00 1.75 1.67 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.50 4.67 0.00 1.82 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.42 7.81 21 G 10.12 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 22 L 7.53 4.55 0.00 1.64 1.61 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.50 3.96 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 0.85 0.00 0.00 0.94 0.00 0.00 24 N 8.54 4.24 0.00 2.83 2.79 0.00 0.00 6.82 7.67 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 25 H 7.78 4.96 0.00 3.31 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.45 4.66 0.00 1.90 1.81 0.00 3.11 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 27 V 9.24 4.86 2.20 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 0.74 0.00 0.00 1.00 0.00 0.00 28 G 9.07 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.03 4.66 2.32 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 1.00 0.00 0.00 0.99 0.00 0.00 30 K 8.50 4.45 0.00 1.37 0.78 0.00 1.33 0.00 0.00 1.36 0.00 0.00 2.80 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.57 1.04 7.81 31 L 7.68 4.50 0.00 0.87 0.83 0.74 0.98 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 32 K 8.26 4.10 0.00 1.74 1.90 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.44 7.81 33 F 6.24 4.78 0.00 3.21 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 34 N 8.70 4.35 0.00 3.06 3.12 0.00 0.00 5.98 7.64 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 35 S 8.20 4.76 0.00 3.89 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 36 T 7.60 4.78 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 0.78 0.00 0.00 37 E 8.99 4.61 0.00 1.83 1.67 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 2.13 2.17 0.00 38 Y 9.17 5.38 0.00 2.96 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 39 R 9.60 4.99 0.00 1.80 1.74 0.00 2.23 0.00 0.00 2.78 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 40 G 7.28 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 0.00 0.00 0.00 41 T 8.13 4.84 4.22 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 1.19 0.00 0.00 42 L 8.71 4.34 0.00 1.78 1.77 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.29 3.70 2.12 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 0.85 0.00 0.00 0.88 0.00 0.00 44 S 7.22 4.65 0.00 3.89 3.93 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 45 T 7.80 4.69 4.21 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 1.26 0.00 0.00 46 D 7.71 5.20 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.86 4.60 0.00 2.83 3.00 0.00 0.00 6.67 7.46 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 48 Y 8.40 4.41 0.00 3.43 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 49 F 7.44 3.59 0.00 3.40 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 5.40 0.00 3.12 2.83 0.00 0.00 6.57 6.26 0.00 0.00 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 L 8.63 4.83 0.00 1.70 1.71 0.96 0.82 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 52 Q 8.48 4.12 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 53 L 8.45 4.87 0.00 1.66 1.36 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.58 5.74 0.00 2.53 2.58 0.00 0.00 7.17 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.32 3.86 0.00 2.15 1.98 0.00 0.00 0.00 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 2.24 0.00 56 A 8.22 4.60 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.38 5.06 0.00 2.16 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 2.13 2.38 0.00 58 E 9.14 4.85 0.00 2.29 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 59 F 9.31 4.93 0.00 3.09 2.87 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 60 V 8.40 4.60 1.75 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 0.95 0.00 0.00 0.63 0.00 0.00 61 A 9.65 3.97 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 62 G 8.48 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.96 4.37 2.20 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 0.96 0.00 0.00 0.96 0.00 0.00 64 S 8.48 3.81 0.00 3.43 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.49 4.73 0.00 3.03 3.21 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.52 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.07 4.95 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 L 8.27 4.66 0.00 1.54 1.61 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.52 4.35 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 0.00 0.00 0.00 70 E 9.17 4.97 0.00 2.00 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 2.38 2.30 0.00 71 I 8.38 4.99 1.76 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.10 0.84 0.00 0.00 72 F 8.93 4.96 0.00 2.82 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 9.01 4.35 2.01 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 1.09 0.46 0.97 0.00 0.00 74 R 8.54 4.98 0.00 1.81 1.93 0.00 3.60 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 75 S 8.95 4.24 0.00 3.61 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 76 N 8.46 4.26 0.00 2.77 3.00 0.00 0.00 6.91 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.10 4.59 0.00 2.88 3.09 0.00 0.00 6.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.92 4.63 2.20 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 0.79 0.00 0.00 1.03 0.00 0.00 79 L 9.03 4.38 0.00 1.43 1.34 0.94 0.83 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 80 Y 6.95 4.93 0.00 3.01 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 81 I 8.66 5.39 2.00 0.00 0.00 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 1.50 0.83 0.98 0.00 0.00 82 R 8.95 4.75 0.00 1.82 1.94 0.00 2.77 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 83 E 8.63 4.51 0.00 1.95 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 2.25 2.33 0.00 84 L 8.59 4.30 0.00 1.72 1.56 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.10 0.00 2.15 2.09 0.00 3.73 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 1.97 2.01 0.00 86 N 8.72 4.49 0.00 2.73 2.78 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00