NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6642 8.1627 118.3374 55.2143 33.3985 173.7318 2 L 4.7975 8.6304 122.8191 53.3149 44.5088 170.3277 3 V 4.6038 9.4883 125.3907 61.6604 35.5305 173.7751 4 I 4.6064 8.9263 130.5849 60.2085 37.5267 174.3141 5 V 4.3833 8.6098 128.1689 62.3960 32.8898 174.6811 6 R 4.9693 9.0088 128.1334 54.7913 31.7949 176.5159 7 L 4.3334 9.1413 124.9318 54.5043 43.1010 178.6643 8 Q 3.5576 7.8140 120.3913 58.7959 29.8569 178.7677 9 D 4.8789 7.5142 116.2755 53.0316 41.8607 174.1668 10 Q 4.6375 8.0017 115.4428 55.1221 33.5221 173.6398 11 T 5.0042 8.0460 114.6219 62.0508 72.3121 173.9903 12 L 4.4900 8.7353 127.1895 53.3101 45.7494 173.1548 13 P 4.8286 0.0000 0.0000 63.1119 32.7415 175.5453 14 F 4.7268 9.0723 118.0980 56.0104 43.7550 173.2456 15 E 4.7767 8.9759 124.2437 55.1185 30.2760 174.9852 16 L 5.0446 8.6735 127.0223 51.9187 45.3189 174.5185 17 P 4.4811 0.0000 0.0000 61.8591 32.3297 175.3964 18 A 4.0709 8.4152 121.5408 53.5145 18.5813 177.1531 19 G 3.9622 8.9563 108.5764 46.0321 0.0000 173.2543 20 A 4.1284 7.3442 122.0151 52.3870 18.9442 177.6256 21 R 4.7295 8.0067 114.5493 53.9118 33.7774 175.4909 22 A 4.0019 9.1073 120.5473 55.5555 18.0525 179.5204 23 S 3.9878 8.0174 111.3597 61.4317 62.5630 175.6348 24 Q 3.8981 7.8204 120.8395 59.2044 28.8590 178.3242 25 L 3.8141 7.7142 120.8694 58.6113 42.0542 178.9942 26 S 4.0282 8.2357 115.0462 61.6360 62.6006 176.5780 27 N 4.1972 7.9388 119.4069 56.5893 38.5623 176.6964 28 L 3.9481 7.5131 118.8682 58.1497 41.9688 179.4781 29 L 3.9458 7.6585 118.5360 57.6414 41.2193 179.5538 30 S 3.9300 7.8485 112.6661 61.1585 62.3386 175.5663 31 S 4.1764 8.0916 115.6631 60.8386 62.2228 174.2553 32 S 4.4063 7.4407 115.3764 57.3935 63.1128 173.8836 33 G 3.6926 8.4844 110.3072 48.4354 0.0000 174.4871 34 M 4.2086 7.7357 117.6452 54.8795 32.8254 176.4823 35 A 3.8412 7.9548 124.3664 51.3151 19.8481 175.0876 36 F 4.9913 6.6607 115.6273 55.3642 41.6219 175.0000 37 S 4.4230 8.4821 114.6000 58.6735 64.0165 174.2769 38 L 5.2191 8.5747 122.3525 53.2984 43.7718 175.2254 39 H 5.1543 9.1583 119.8263 53.7918 32.0686 172.7792 40 T 4.7800 8.4139 113.8275 60.5349 71.1881 173.1475 41 Q 3.4818 9.6974 123.7108 56.9987 27.5397 174.1963 42 G 3.9310 8.5505 100.6169 45.3456 0.0000 174.1618 43 R 4.6288 8.2127 117.9835 53.5707 33.9334 175.3163 44 V 4.0910 8.2943 120.6498 63.0126 32.2477 175.1113 45 L 4.6146 8.2085 125.0992 53.1586 43.2264 176.9310 46 S 4.4882 8.3265 117.4118 57.5444 64.0973 175.0362 47 E 4.0494 8.8249 121.0660 58.9146 29.2832 177.8845 48 A 4.5190 7.2331 119.1034 51.3368 19.7987 176.3656 49 A 4.0063 8.3200 122.6286 52.3916 18.6158 177.0394 50 E 4.8629 8.4634 120.8432 54.1083 31.0383 175.4099 51 L 3.8878 8.5124 127.2672 55.0306 41.3128 179.2703 52 N 4.1034 7.8252 122.8332 54.3036 43.6762 172.7942 53 D 4.5926 8.6908 116.8481 54.9280 42.1675 176.1278 54 K 3.8099 8.4336 120.8897 57.7513 29.5465 174.7004 55 M 4.5700 7.9110 116.9856 54.2574 34.6738 175.3572 56 V 4.9032 8.1282 117.3693 61.6189 34.6500 174.4970 57 I 4.5419 8.6801 128.5365 59.4672 40.2969 174.0677 58 D 4.8792 9.1061 127.5600 53.3670 42.2518 174.9686 59 A 4.9801 8.7313 129.5806 50.9430 19.9042 175.8446 60 F 4.7938 9.2199 126.1256 57.0607 41.3432 175.2779 61 V 4.2718 7.9759 119.4064 58.9181 33.2804 174.2668 62 P 4.2351 0.0000 0.0000 62.7048 31.8324 175.2843 63 A 4.8080 8.1913 122.6184 49.9478 21.5315 175.0059 64 D 4.4102 8.5296 119.2446 55.4485 41.2263 177.6174 65 G 3.5901 9.2977 111.3330 46.0332 0.0000 172.8471 66 A 3.6945 7.0945 119.2307 49.3194 17.9285 177.9293 67 G 4.3000 7.8912 120.5983 44.1267 0.0000 172.1668 68 L 4.0064 7.6995 128.0996 56.7240 42.3530 177.4416 69 E 4.1111 8.0838 121.6568 56.9765 29.1837 176.9950 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 M 8.16 4.66 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 2 L 8.63 4.80 0.00 1.97 1.66 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.49 4.60 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 1.02 0.00 0.00 0.97 0.00 0.00 4 I 8.93 4.61 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.96 0.00 0.00 5 V 8.61 4.38 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.85 0.00 0.00 6 R 9.01 4.97 0.00 1.81 1.86 0.00 3.19 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 7 L 9.14 4.33 0.00 1.74 1.52 1.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.81 3.56 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.55 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 9 D 7.51 4.88 0.00 2.59 2.53 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 0.00 0.00 0.00 0.00 10 Q 8.00 4.64 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 11 T 8.05 5.00 4.25 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 1.24 0.00 0.00 12 L 8.74 4.49 0.00 1.71 1.51 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.83 0.00 2.07 2.04 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 14 F 9.07 4.73 0.00 3.14 2.92 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 15 E 8.98 4.78 0.00 1.99 1.89 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 2.26 2.35 0.00 16 L 8.67 5.04 0.00 1.77 1.55 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.48 0.00 2.22 2.21 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 18 A 8.42 4.07 1.27 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 0.00 0.00 19 G 8.96 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 0.00 0.00 0.00 20 A 7.34 4.13 1.28 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 0.00 0.00 21 R 8.01 4.73 0.00 2.13 1.98 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 22 A 9.11 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.99 0.00 3.93 3.89 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 24 Q 7.82 3.90 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 25 L 7.71 3.81 0.00 1.78 1.74 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.24 4.03 0.00 4.11 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 27 N 7.94 4.20 0.00 2.82 2.95 0.00 0.00 7.11 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 28 L 7.51 3.95 0.00 1.73 1.69 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.66 3.95 0.00 1.44 1.38 0.62 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.85 3.93 0.00 3.76 4.05 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 31 S 8.09 4.18 0.00 3.95 4.04 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 32 S 7.44 4.41 0.00 3.83 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 33 G 8.48 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.74 4.21 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 35 A 7.95 3.84 1.07 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 0.00 0.00 36 F 6.66 4.99 0.00 2.89 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 37 S 8.48 4.42 0.00 4.00 4.15 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 38 L 8.57 5.22 0.00 1.47 1.59 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.16 5.15 0.00 3.31 3.44 0.00 5.40 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.41 4.78 4.32 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 1.24 0.00 0.00 41 Q 9.70 3.48 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 42 G 8.55 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 0.00 0.00 0.00 43 R 8.21 4.63 0.00 1.77 1.76 0.00 3.13 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 44 V 8.29 4.09 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 0.93 0.00 0.00 0.97 0.00 0.00 45 L 8.21 4.61 0.00 1.85 1.58 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.33 4.49 0.00 4.00 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 47 E 8.82 4.05 0.00 1.97 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 0.00 2.31 2.32 0.00 48 A 7.23 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 49 A 8.32 4.01 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 50 E 8.46 4.86 0.00 2.03 1.95 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 2.28 2.29 0.00 51 L 8.51 3.89 0.00 1.65 1.54 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.83 4.10 0.00 2.66 2.71 0.00 0.00 6.88 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.69 4.59 0.00 2.69 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 54 K 8.43 3.81 0.00 1.95 1.88 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.36 7.81 55 M 7.91 4.57 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 56 V 8.13 4.90 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 0.87 0.00 0.00 0.96 0.00 0.00 57 I 8.68 4.54 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.93 0.00 0.00 58 D 9.11 4.88 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.73 4.98 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 60 F 9.22 4.79 0.00 3.11 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 61 V 7.98 4.27 1.94 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 0.07 0.00 0.00 0.80 0.00 0.00 62 P 0.00 4.24 0.00 2.15 1.97 0.00 3.60 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 63 A 8.19 4.81 1.28 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 0.00 0.00 64 D 8.53 4.41 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.30 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.09 3.69 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 67 G 7.89 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 68 L 7.70 4.01 0.00 1.65 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.08 4.11 0.00 2.04 1.96 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 2.28 2.39 0.00