NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4388 8.2493 123.5817 51.9023 21.5426 177.9220 2 K 3.9812 9.3354 120.2620 55.0156 31.9749 176.8161 3 T 4.4213 9.5361 102.5908 61.8498 73.1375 172.4336 4 I 3.4363 7.8795 130.2375 60.0224 37.6573 172.3787 5 K 5.2808 9.3991 124.0360 54.5452 36.1525 175.3405 6 I 5.7418 8.6629 116.7692 58.4511 41.2044 174.4276 7 T 4.9005 8.1163 119.2692 61.7895 71.7319 175.1797 8 Q 3.7059 8.7227 124.6057 58.5249 28.7471 175.4697 9 T 3.4995 7.0964 115.0151 62.7341 67.8256 171.6182 10 R 4.6554 7.2171 119.2043 54.0162 32.9629 176.4783 11 S 4.1184 8.5031 114.8833 58.5878 63.4988 174.6767 12 A 4.7160 8.1886 130.0073 51.4164 18.3139 176.8609 13 I 3.9987 7.6306 126.2481 63.5163 38.0619 179.8619 14 G 4.1792 7.7811 106.8505 45.2839 0.0000 173.7557 15 R 4.4079 7.8495 117.7387 54.5443 31.5079 176.7948 16 L 4.1161 8.2227 119.8020 54.4627 42.0397 176.8978 17 P 4.3603 0.0000 0.0000 65.7206 31.3988 178.2873 18 K 4.3005 7.9885 114.4683 57.7248 32.1690 177.4935 19 H 4.7598 8.3375 117.1276 57.6715 29.4999 177.0065 20 K 3.3886 8.1802 119.5534 59.6358 31.6557 179.0891 21 A 3.9703 7.5288 119.9924 55.4418 18.6913 179.4710 22 T 3.9571 7.7867 107.8219 64.8908 68.9657 176.0124 23 L 3.9229 8.7657 124.3154 57.8435 41.8118 178.9426 24 L 4.0666 7.9667 120.4798 58.0278 41.8781 178.9310 25 G 3.3941 7.7632 104.5189 47.5357 0.0000 174.5195 26 L 4.4492 7.6701 118.3435 53.7754 41.7406 177.8444 27 G 4.0130 8.6192 107.4706 45.8191 0.0000 173.8364 28 L 4.2116 7.5244 118.9445 54.8490 41.9352 175.7633 29 R 3.9955 8.2458 124.5348 57.2051 29.9569 178.7624 30 R 4.1628 8.0689 121.6252 56.4203 31.6558 177.1431 31 I 4.0526 8.2353 110.0997 62.0463 37.8476 176.9758 32 G 4.2918 7.5449 108.7469 45.7350 0.0000 173.6222 33 H 4.0106 8.3819 119.2354 58.0912 29.9681 171.4906 34 T 4.0571 8.1983 123.8255 62.5551 68.0948 171.6882 35 V 4.4999 7.8241 124.2570 59.7814 35.6623 173.7567 36 E 4.9126 8.7013 122.4185 54.0705 30.6390 174.4704 37 R 4.6167 8.6055 129.3490 57.0805 33.0007 174.0453 38 E 4.9884 8.6759 117.3784 55.2415 31.4968 175.8536 39 D 4.8389 8.4674 124.2618 54.3893 42.6138 177.1187 40 T 4.0115 7.9039 114.1343 62.5484 70.2041 172.8790 41 P 4.2034 0.0000 0.0000 65.9160 31.3261 178.9296 42 A 3.9355 7.8634 118.8019 55.2947 18.2002 179.3624 43 I 3.8785 7.7881 116.3835 63.9850 37.8216 177.6798 44 R 3.9264 8.3562 120.1568 58.8443 30.0132 178.5642 45 G 3.5978 8.2169 106.0403 47.8896 0.0000 175.4467 46 M 4.0727 8.5773 121.4698 58.3465 31.7492 178.7210 47 I 3.6126 7.0603 118.2369 64.4001 37.6237 177.2760 48 N 4.3422 7.9209 117.2020 57.0422 38.4752 176.0578 49 A 4.0627 7.6498 120.1142 55.0791 18.8036 180.7801 50 V 4.4469 7.5454 109.6878 60.8297 32.7827 178.9855 51 S 4.1316 8.1351 116.0891 61.8023 62.6723 175.3079 52 F 4.2282 8.7151 116.2860 59.1191 35.8880 175.3359 53 M 3.7320 5.8848 120.0515 56.6675 32.4273 176.8659 54 V 4.6782 7.7884 114.3850 61.4243 33.4213 175.7544 55 K 4.3921 8.3767 122.1501 54.3277 34.2470 175.3479 56 V 4.0004 8.2965 127.3147 63.3618 32.6770 175.8095 57 E 4.4593 8.9084 127.3346 55.2270 31.8832 175.0004 58 E 4.1383 8.6869 125.1992 56.5868 29.5188 177.3681 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 A 8.25 4.44 1.22 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 0.00 0.00 2 K 9.34 3.98 0.00 1.95 1.45 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.54 4.42 4.29 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 1.23 0.00 0.00 4 I 7.88 3.44 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.90 0.00 0.00 5 K 9.40 5.28 0.00 1.66 1.61 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.33 7.81 6 I 8.66 5.74 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.89 0.00 0.00 7 T 8.12 4.90 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 1.22 0.00 0.00 8 Q 8.72 3.71 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.01 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 9 T 7.10 3.50 4.40 0.00 0.00 0.00 0.00 0.00 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 10 R 7.22 4.66 0.00 1.68 1.81 0.00 3.22 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 11 S 8.50 4.12 0.00 3.82 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 12 A 8.19 4.72 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 13 I 7.63 4.00 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.92 0.00 0.00 14 G 7.78 4.18 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 0.00 0.00 0.00 15 R 7.85 4.41 0.00 1.88 2.02 0.00 3.37 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.01 0.00 16 L 8.22 4.12 0.00 1.45 1.52 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.36 0.00 2.18 2.11 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 18 K 7.99 4.30 0.00 1.76 1.90 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.41 7.81 19 H 8.34 4.76 0.00 3.51 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.18 3.39 0.00 1.82 1.91 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.58 1.79 7.81 21 A 7.53 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.79 3.96 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 1.29 0.00 0.00 23 L 8.77 3.92 0.00 1.85 1.87 0.96 0.43 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 24 L 7.97 4.07 0.00 1.91 1.96 0.92 1.18 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 25 G 7.76 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.45 0.00 1.83 1.68 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.62 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.52 4.21 0.00 1.69 1.79 0.88 0.81 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 29 R 8.25 4.00 0.00 1.55 1.65 0.00 3.11 0.00 0.00 3.16 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 30 R 8.07 4.16 0.00 1.90 1.88 0.00 3.13 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 31 I 8.24 4.05 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 1.34 0.89 0.93 0.00 0.00 32 G 7.54 4.29 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 0.00 33 H 8.38 4.01 0.00 3.18 3.31 0.00 6.06 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.20 4.06 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 1.18 0.00 0.00 35 V 7.82 4.50 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 0.72 0.00 0.00 0.88 0.00 0.00 36 E 8.70 4.91 0.00 1.95 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 2.18 2.38 0.00 37 R 8.61 4.62 0.00 1.80 1.44 0.00 3.30 0.00 0.00 3.22 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 E 8.68 4.99 0.00 1.94 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 2.20 2.30 0.00 39 D 8.47 4.84 0.00 2.57 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 0.00 0.00 0.00 0.00 40 T 7.90 4.01 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 1.21 0.00 0.00 41 P 0.00 4.20 0.00 2.15 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 7.86 3.94 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 43 I 7.79 3.88 1.87 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 1.52 1.19 1.00 0.00 0.00 44 R 8.36 3.93 0.00 2.00 2.04 0.00 3.20 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 45 G 8.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.58 4.07 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 47 I 7.06 3.61 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 0.90 0.00 0.00 48 N 7.92 4.34 0.00 2.76 3.05 0.00 0.00 7.18 9.05 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 49 A 7.65 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 4.45 1.82 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 0.77 0.00 0.00 0.92 0.00 0.00 51 S 8.14 4.13 0.00 4.10 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 0.00 52 F 8.72 4.23 0.00 3.22 3.21 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 0.00 53 M 5.88 3.73 0.00 1.77 1.45 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.00 0.00 54 V 7.79 4.68 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 55 K 8.38 4.39 0.00 1.75 1.62 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 56 V 8.30 4.00 2.07 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 0.82 0.00 0.00 0.92 0.00 0.00 57 E 8.91 4.46 0.00 2.07 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 2.20 2.42 0.00 58 E 8.69 4.14 0.00 1.97 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 2.31 2.37 0.00