NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7265 8.4249 118.2169 52.4942 39.1291 174.8412 2 T 3.7916 7.6704 116.0136 63.6072 70.1549 169.6318 3 V 3.5980 8.6418 124.2918 66.0610 31.6000 178.1026 4 K 3.9433 7.9769 118.7825 59.4676 32.1637 178.4207 5 E 4.0047 8.0675 118.3097 59.4771 29.3871 179.0692 6 L 4.1057 8.2608 119.2493 58.0580 41.7542 179.9460 7 K 4.0272 7.9882 117.7450 59.2115 32.0199 179.3715 8 N 4.3754 7.9494 116.7637 56.4669 38.4860 176.8331 9 Y 4.3799 8.1495 120.9816 60.7417 38.7916 177.9529 10 I 3.4536 8.1137 121.1519 64.3282 37.0709 177.8728 11 Q 3.9269 8.0693 120.3035 59.4917 28.7459 178.7067 12 E 3.9791 7.9960 118.8258 59.3835 29.5221 179.2225 13 L 3.8483 8.0412 119.4401 57.9105 41.6278 179.5044 14 E 3.9905 8.4157 118.4669 58.9018 29.3578 179.3180 15 E 3.9099 7.8083 119.0622 59.4658 29.5771 179.2867 16 R 3.9126 8.1396 118.8198 59.1779 30.0143 177.9023 17 N 4.2169 8.3602 116.9229 56.6148 38.9028 176.6621 18 A 3.9622 7.9515 122.0180 55.1662 18.4167 179.4306 19 E 3.8865 8.1613 117.0069 59.5172 29.5699 179.6351 20 L 3.9543 8.4917 119.1417 57.8388 41.7450 179.6186 21 K 3.9316 8.2018 118.4945 59.5615 31.9239 178.9777 22 N 4.2758 8.1278 116.5354 56.2876 38.4588 176.9243 23 L 3.9255 8.0680 121.6474 58.2461 42.1331 178.8844 24 K 3.8271 8.4516 119.7182 59.6493 32.0825 178.3377 25 E 3.6386 8.1822 119.5033 59.1292 29.5095 178.1509 26 H 4.2225 8.3893 118.4169 59.5153 29.9464 177.3113 27 L 3.9978 8.2295 120.9154 57.3916 41.3354 179.4807 28 K 3.7948 7.9195 119.7123 59.5291 32.1459 178.8791 29 F 4.3924 7.7263 117.6875 60.5632 38.9769 177.3685 30 A 4.0216 8.1415 120.4171 55.1429 18.0991 179.5786 31 K 3.8720 8.3561 117.9138 59.6287 32.3275 178.6811 32 A 4.2211 8.0266 121.0332 55.5438 18.2738 179.5256 33 E 4.0430 8.4298 116.8986 59.4406 29.4335 179.6548 34 L 4.0713 7.9551 118.7720 57.8434 41.7612 179.3009 35 E 3.9931 8.7067 119.0060 59.1257 29.3285 179.3649 36 F 4.0735 8.4095 120.8230 61.3013 39.3696 176.7366 37 E 3.9237 8.2108 117.5690 59.4149 29.4218 178.3476 38 L 3.8027 8.1251 120.0380 57.9448 42.2365 178.8027 39 A 4.0631 7.9115 120.5918 55.0383 18.2870 179.3095 40 A 3.8682 8.1401 119.6174 55.6931 18.0889 179.3205 41 H 4.1840 7.4653 112.4807 59.0034 28.8663 177.1635 42 K 4.1113 7.8262 117.2830 56.1310 32.4282 176.6343 43 F 4.8718 7.4030 117.8838 55.6019 41.5291 175.5287 44 E 4.3356 8.7518 120.9971 56.6752 29.7629 176.1849 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 N 8.42 4.73 0.00 2.86 2.99 0.00 0.00 6.09 6.83 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 2 T 7.67 3.79 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 1.26 0.00 0.00 3 V 8.64 3.60 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 1.04 0.00 0.00 0.94 0.00 0.00 4 K 7.98 3.94 0.00 1.87 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 5 E 8.07 4.00 0.00 2.21 1.99 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 2.40 2.41 0.00 6 L 8.26 4.11 0.00 1.85 1.77 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.99 4.03 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.80 7.81 8 N 7.95 4.38 0.00 3.13 2.92 0.00 0.00 6.53 7.14 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 9 Y 8.15 4.38 0.00 2.99 3.13 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 0.00 0.00 0.00 0.00 10 I 8.11 3.45 2.00 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 1.31 0.62 0.86 0.00 0.00 11 Q 8.07 3.93 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 12 E 8.00 3.98 0.00 2.34 2.04 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 2.38 2.62 0.00 13 L 8.04 3.85 0.00 1.52 1.51 0.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.42 3.99 0.00 2.05 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 2.29 2.28 0.00 15 E 7.81 3.91 0.00 2.16 1.99 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 2.32 2.52 0.00 16 R 8.14 3.91 0.00 1.88 1.90 0.00 3.11 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 17 N 8.36 4.22 0.00 2.92 2.93 0.00 0.00 7.04 7.37 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 18 A 7.95 3.96 1.40 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 0.00 0.00 0.00 19 E 8.16 3.89 0.00 2.22 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 2.33 2.53 0.00 20 L 8.49 3.95 0.00 1.80 1.70 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.20 3.93 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.60 7.81 22 N 8.13 4.28 0.00 3.11 2.87 0.00 0.00 6.65 6.87 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 23 L 8.07 3.93 0.00 1.82 1.83 0.93 0.87 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 24 K 8.45 3.83 0.00 1.84 1.97 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 25 E 8.18 3.64 0.00 2.14 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 1.95 1.93 0.00 26 H 8.39 4.22 0.00 3.28 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.23 4.00 0.00 1.83 1.70 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.92 3.79 0.00 1.79 1.55 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.28 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.22 1.34 7.81 29 F 7.73 4.39 0.00 3.24 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 30 A 8.14 4.02 1.35 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 31 K 8.36 3.87 0.00 1.89 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 32 A 8.03 4.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.04 0.00 2.24 2.05 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 2.32 2.59 0.00 34 L 7.96 4.07 0.00 1.94 1.74 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.71 3.99 0.00 2.21 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 2.36 2.53 0.00 36 F 8.41 4.07 0.00 3.24 3.22 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 37 E 8.21 3.92 0.00 2.09 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 2.31 2.38 0.00 38 L 8.13 3.80 0.00 1.96 1.75 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.91 4.06 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 40 A 8.14 3.87 1.10 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 0.00 0.00 41 H 7.47 4.18 0.00 3.23 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.83 4.11 0.00 1.22 1.49 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 43 F 7.40 4.87 0.00 2.99 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 44 E 8.75 4.34 0.00 1.96 1.84 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 2.21 2.26 0.00