NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4933 8.3349 115.3038 57.8420 63.7909 173.4749 8 D 4.6868 8.5750 126.8508 52.7745 42.0609 174.1913 9 F 5.3205 8.8074 115.9589 55.3441 42.0562 173.6896 10 V 4.5390 8.8727 112.1453 59.5267 35.5049 174.8557 11 V 4.8938 8.6812 123.3925 61.3429 34.1260 174.5300 12 I 4.9916 9.1197 127.8815 59.4800 40.8174 173.9910 13 K 5.0002 9.1189 129.2122 54.3143 34.1800 175.1695 14 A 4.4100 8.8672 130.4257 52.3038 19.0663 177.4740 15 L 4.6593 9.1892 122.3803 54.7113 42.5568 176.0963 16 E 4.6915 7.7255 115.4867 54.6344 32.4361 174.4881 17 D 4.4523 8.3375 119.3951 55.7680 41.3310 176.8590 18 G 3.8609 8.6007 109.4248 45.7757 0.0000 173.9199 19 V 3.9054 7.6219 119.8365 62.7615 32.9389 174.5554 20 N 5.3449 9.2160 124.9864 51.4628 41.4147 173.4944 21 V 4.5888 8.6751 124.6030 61.3129 33.6494 174.2005 22 I 4.6061 8.7780 129.8335 59.4110 39.5218 174.9515 23 G 4.1853 8.7071 114.7651 44.9907 0.0000 172.3584 24 L 5.5554 8.6934 125.0007 52.7967 44.2372 176.2704 25 T 4.4355 8.9541 114.7330 61.8628 69.3417 174.2215 26 R 4.4745 7.8606 125.3080 56.7088 29.7687 174.8860 27 G 3.7283 8.8421 109.0320 43.9514 0.0000 174.0381 28 A 4.1392 8.6178 121.2936 54.3049 18.5972 177.5511 29 D 4.8206 7.2486 112.5262 53.0105 42.7925 175.8233 30 T 4.7361 8.2465 120.8328 62.0320 71.2653 173.0360 31 R 4.5482 8.6078 121.9092 54.7316 33.8639 173.8179 32 F 5.3778 8.5835 118.4870 57.7261 38.9292 175.6174 33 H 4.9339 9.1816 119.2974 56.6345 30.3292 174.5428 34 H 4.8842 7.6826 117.5313 54.7379 33.4949 172.0503 35 S 4.7051 8.1072 118.6086 56.4532 64.8524 172.4309 36 E 4.4049 8.9937 129.8335 54.6894 30.8346 174.5705 37 K 4.7546 8.5888 128.9446 55.6672 33.6945 175.4909 38 L 4.9252 9.0808 127.3549 53.1778 44.7076 176.1655 39 D 5.0673 9.1763 123.7975 52.3149 43.4623 175.8870 40 K 4.0563 8.5307 121.5415 58.3817 32.2789 176.9593 41 G 4.0141 9.0721 115.6722 45.1694 0.0000 173.5242 42 E 4.2650 8.0455 119.5563 56.2317 30.8312 175.9991 43 V 4.8935 8.2875 121.9261 61.0053 34.4152 174.2364 44 L 4.7884 9.0825 129.6010 53.2323 44.9631 174.8521 45 I 5.0779 8.4819 126.0335 59.5707 39.5477 174.6943 46 A 4.7181 9.1621 129.2350 50.1461 22.0266 175.2682 47 Q 4.8184 8.6389 120.8111 54.9437 30.4125 175.8370 48 F 4.7313 8.3826 120.5450 58.0600 39.6332 175.0047 49 T 4.7020 9.0217 111.2582 60.1286 71.9712 174.0629 50 E 4.1103 8.9193 121.5207 59.3047 29.6201 177.1599 51 H 4.5678 7.8696 114.7394 56.1044 29.8395 174.4488 52 T 4.9126 8.1548 116.5908 62.0536 70.1826 173.9842 53 S 5.0214 8.7350 120.7201 58.1055 64.8489 173.5488 54 A 5.1931 7.9876 121.7138 50.8985 22.7239 174.9914 55 I 4.9907 8.6269 120.5242 59.3425 40.6402 174.7613 56 K 4.6090 8.9989 128.0986 54.5042 34.8258 174.6483 57 V 4.7957 8.3716 126.3968 61.0420 33.8055 174.3538 58 R 4.4489 8.9078 128.1388 55.5577 32.6559 174.3967 59 G 3.9721 9.0479 111.6392 43.6489 0.0000 172.5529 60 K 4.5167 9.2300 120.6534 56.0901 32.9986 175.5862 61 A 5.1346 8.8153 128.2344 50.6999 23.4293 173.5782 62 Y 4.9255 9.0455 121.4817 56.0885 40.9744 174.6232 63 I 5.0718 8.2077 126.7450 59.5516 41.1398 174.2992 64 Q 5.0722 8.9743 125.3138 54.3798 32.0051 174.8919 65 T 4.7623 8.4832 112.7751 59.5903 72.4014 174.5253 66 R 3.7687 8.5400 120.4039 59.4316 29.9125 176.6439 67 H 4.6467 7.7925 112.8158 55.1914 29.8221 173.9665 68 G 3.8161 7.3696 105.5292 44.0638 0.0000 172.7471 69 V 4.6107 8.0714 120.3045 61.6643 33.4952 176.3644 70 I 4.6503 8.2736 124.9950 59.6128 42.0442 173.1699 71 E 5.2140 8.5361 125.2871 54.5017 32.6820 175.8670 72 S 4.7553 8.6415 118.7561 57.5531 65.3107 172.7773 73 E 4.9419 8.4915 118.6529 54.2018 31.9102 176.0618 74 G 3.7565 8.7406 111.4341 45.0517 0.0000 173.2862 75 K 4.1025 8.4704 120.2183 56.5043 32.1911 176.7405 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 7 S 8.33 4.49 0.00 3.92 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 8 D 8.58 4.69 0.00 2.95 2.69 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 9 F 8.81 5.32 0.00 3.05 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 10 V 8.87 4.54 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 0.53 0.00 0.00 0.89 0.00 0.00 11 V 8.68 4.89 2.25 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 1.10 0.00 0.00 1.19 0.00 0.00 12 I 9.12 4.99 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.92 0.00 0.00 13 K 9.12 5.00 0.00 1.87 1.77 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 A 8.87 4.41 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 15 L 9.19 4.66 0.00 1.61 1.72 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.73 4.69 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 17 D 8.34 4.45 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 18 G 8.60 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 0.00 0.00 0.00 19 V 7.62 3.91 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 0.83 0.00 0.00 1.02 0.00 0.00 20 N 9.22 5.34 0.00 2.55 2.57 0.00 0.00 6.32 7.29 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 21 V 8.68 4.59 2.03 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 0.99 0.00 0.00 0.90 0.00 0.00 22 I 8.78 4.61 1.37 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.39 -0.33 0.00 0.00 23 G 8.71 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 0.00 0.00 0.00 0.00 24 L 8.69 5.56 0.00 1.94 1.72 1.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.95 4.44 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 1.37 0.00 0.00 26 R 7.86 4.47 0.00 1.91 1.97 0.00 3.23 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 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 0.00 0.00 0.00 28 A 8.62 4.14 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 29 D 7.25 4.82 0.00 2.60 2.56 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 30 T 8.25 4.74 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 1.25 0.00 0.00 31 R 8.61 4.55 0.00 1.84 1.95 0.00 2.68 0.00 0.00 3.55 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 32 F 8.58 5.38 0.00 2.94 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 33 H 9.18 4.93 0.00 3.15 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.68 4.88 0.00 3.28 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.71 0.00 3.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.40 0.00 2.13 1.78 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 2.25 2.28 0.00 37 K 8.59 4.75 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.57 7.81 38 L 9.08 4.93 0.00 1.54 1.52 0.92 0.93 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 39 D 9.18 5.07 0.00 2.58 2.70 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 0.00 0.00 0.00 0.00 40 K 8.53 4.06 0.00 1.80 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.07 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 42 E 8.05 4.26 0.00 2.07 1.87 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 2.32 2.32 0.00 43 V 8.29 4.89 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 0.85 0.00 0.00 0.94 0.00 0.00 44 L 9.08 4.79 0.00 1.73 1.45 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 5.08 1.80 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 1.29 0.81 0.85 0.00 0.00 46 A 9.16 4.72 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.64 4.82 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 48 F 8.38 4.73 0.00 3.03 2.98 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 0.00 0.00 0.00 49 T 9.02 4.70 4.31 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 1.26 0.00 0.00 50 E 8.92 4.11 0.00 1.94 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 0.00 2.08 2.29 0.00 51 H 7.87 4.57 0.00 3.40 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.15 4.91 4.36 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 1.35 0.00 0.00 53 S 8.73 5.02 0.00 3.80 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 54 A 7.99 5.19 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 55 I 8.63 4.99 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.84 0.00 0.00 56 K 9.00 4.61 0.00 1.80 1.46 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.37 7.81 57 V 8.37 4.80 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.91 4.45 0.00 1.84 1.68 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.05 3.97 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 0.00 0.00 0.00 60 K 9.23 4.52 0.00 1.87 1.73 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.82 5.13 1.26 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 0.00 0.00 0.00 62 Y 9.05 4.93 0.00 3.01 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 63 I 8.21 5.07 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.86 0.00 0.00 64 Q 8.97 5.07 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 65 T 8.48 4.76 4.11 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 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.54 3.77 0.00 1.61 1.80 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 67 H 7.79 4.65 0.00 3.18 3.25 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 68 G 7.37 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 0.00 0.00 0.00 69 V 8.07 4.61 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 0.21 0.00 0.00 0.85 0.00 0.00 70 I 8.27 4.65 1.81 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 1.19 1.01 0.84 0.00 0.00 71 E 8.54 5.21 0.00 1.84 1.83 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 2.21 2.19 0.00 72 S 8.64 4.76 0.00 3.93 3.97 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 73 E 8.49 4.94 0.00 1.93 1.93 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 2.16 2.34 0.00 74 G 8.74 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 0.00 0.00 0.00 75 K 8.47 4.10 0.00 1.73 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81