============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 2 1.000 4.610 -3.650 -33.447 -99.200 -91.000 PHE 5 1.000 4.432 -12.597 -44.596 -99.200 -91.000 PHE 8 1.000 3.528 -17.136 -41.641 -99.200 -91.000 PHE 14 1.000 0.135 -14.264 -22.208 -99.200 -91.000 PHE 21 1.000 -16.188 1.483 -10.877 -99.200 -91.000 PHE 24 1.000 -21.133 10.309 -8.120 -99.200 -91.000 PHE 25 1.000 -17.608 5.547 -4.096 -99.200 -91.000 TYR 28 0.840 -18.951 13.409 5.102 -99.200 -91.000 PHE 44 1.000 -0.733 9.415 12.872 -99.200 -91.000 PHE 49 1.000 -12.420 1.857 7.583 -99.200 -91.000 TYR 65 0.840 -7.569 -12.008 -3.693 -99.200 -91.000 PHE 69 1.000 -11.361 1.192 -3.862 -99.200 -91.000 HIS 81 0.900 -2.618 5.892 -8.304 -99.200 -91.000 PHE 87 1.000 -15.241 -1.579 -0.527 -99.200 -91.000 TYR 95 0.840 -16.384 8.930 7.644 -99.200 -91.000 TRP 99 1.040 -1.838 10.031 6.092 -99.200 -91.000 TRP6 99 1.020 -0.905 9.212 4.091 -99.200 -91.000 PHE 124 1.000 15.091 -1.064 -6.813 -99.200 -91.000 PHE 134 1.000 12.905 1.419 7.859 -99.200 -91.000 PHE 151 1.000 0.712 3.403 3.356 -99.200 -91.000 TYR 164 0.840 6.837 -1.376 15.348 -99.200 -91.000 PHE 169 1.000 10.285 5.661 12.507 -99.200 -91.000 PHE 196 1.000 14.710 0.424 3.530 -99.200 -91.000 TYR 202 0.840 14.132 15.248 6.977 -99.200 -91.000 TYR 207 0.840 8.429 30.109 -0.335 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zc1A8 MET 1 HA -0.03 -0.07 0.13 -0.75 4.52 3.80 1zc1A8 MET 1 HB2 -0.22 0.02 0.06 -0.04 2.15 1.96 1zc1A8 MET 1 HB3 -0.19 -0.03 0.17 -0.04 2.03 1.95 1zc1A8 MET 1 HG2 -0.01 -0.10 0.10 -0.04 2.63 2.58 1zc1A8 MET 1 HG3 -0.01 0.03 0.07 -0.04 2.56 2.60 1zc1A8 MET 1 HE3 -0.03 0.01 0.03 -0.04 2.10 2.06 1zc1A8 PHE 2 H 0.16 0.25 0.10 -0.55 8.34 8.30 1zc1A8 PHE 2 HA 0.01 0.16 0.95 -0.75 4.62 4.99 1zc1A8 PHE 2 HB2 -0.01 -0.01 0.05 -0.04 3.15 3.14 1zc1A8 PHE 2 HB3 -0.01 -0.01 -0.06 -0.04 3.06 2.94 1zc1A8 PHE 2 HD2 -0.01 0.02 -0.05 -0.04 7.28 7.20 1zc1A8 PHE 2 HE2 -0.00 -0.01 -0.04 -0.04 7.38 7.28 1zc1A8 PHE 2 HZ 0.00 -0.02 -0.03 -0.04 7.32 7.22 1zc1A8 SER 3 H 0.11 0.23 0.10 -0.55 8.46 8.36 1zc1A8 SER 3 HA 0.06 0.17 0.87 -0.75 4.49 4.83 1zc1A8 SER 3 HB2 0.07 0.11 -0.17 -0.04 3.95 3.91 1zc1A8 SER 3 HB3 0.08 -0.00 -0.05 -0.04 3.93 3.91 1zc1A8 GLY 4 H -0.02 0.18 0.12 -0.55 8.43 8.16 1zc1A8 GLY 4 HA2 -0.15 0.09 0.40 -0.51 4.01 3.83 1zc1A8 GLY 4 HA3 -0.21 0.02 0.34 -0.51 4.01 3.64 1zc1A8 PHE 5 H 0.11 0.11 -0.11 -0.55 8.34 7.89 1zc1A8 PHE 5 HA 0.09 0.24 0.94 -0.75 4.62 5.13 1zc1A8 PHE 5 HB2 0.34 -0.00 0.06 -0.04 3.15 3.51 1zc1A8 PHE 5 HB3 0.32 -0.11 0.03 -0.04 3.06 3.25 1zc1A8 PHE 5 HD2 -0.10 -0.03 0.00 -0.04 7.28 7.10 1zc1A8 PHE 5 HE2 -0.01 0.02 -0.02 -0.04 7.38 7.33 1zc1A8 PHE 5 HZ 0.03 0.02 -0.02 -0.04 7.32 7.31 1zc1A8 SER 6 H 0.22 0.19 0.14 -0.55 8.46 8.46 1zc1A8 SER 6 HA 0.11 0.16 0.44 -0.75 4.49 4.45 1zc1A8 SER 6 HB2 0.07 0.07 0.04 -0.04 3.95 4.08 1zc1A8 SER 6 HB3 0.08 0.05 0.11 -0.04 3.93 4.13 1zc1A8 SER 7 H 0.19 0.03 -0.06 -0.55 8.46 8.08 1zc1A8 SER 7 HA 0.02 0.12 0.36 -0.75 4.49 4.24 1zc1A8 SER 7 HB2 -0.10 0.06 0.01 -0.04 3.95 3.89 1zc1A8 SER 7 HB3 0.02 -0.01 0.09 -0.04 3.93 3.98 1zc1A8 PHE 8 H 0.39 -0.03 -0.39 -0.55 8.34 7.75 1zc1A8 PHE 8 HA 0.02 0.05 0.32 -0.75 4.62 4.26 1zc1A8 PHE 8 HB2 0.13 0.03 0.03 -0.04 3.15 3.31 1zc1A8 PHE 8 HB3 0.07 0.07 -0.09 -0.04 3.06 3.06 1zc1A8 PHE 8 HD2 0.05 -0.04 -0.02 -0.04 7.28 7.24 1zc1A8 PHE 8 HE2 -0.35 0.00 -0.02 -0.04 7.38 6.97 1zc1A8 PHE 8 HZ -0.16 0.01 -0.02 -0.04 7.32 7.11 1zc1A8 GLY 9 H 0.20 0.15 -0.39 -0.55 8.43 7.84 1zc1A8 GLY 9 HA2 0.08 0.03 0.26 -0.51 4.01 3.88 1zc1A8 GLY 9 HA3 0.07 0.03 0.36 -0.51 4.01 3.96 1zc1A8 GLY 10 H 0.05 0.17 0.23 -0.55 8.43 8.34 1zc1A8 GLY 10 HA2 0.05 0.01 0.35 -0.51 4.01 3.91 1zc1A8 GLY 10 HA3 0.08 0.10 0.51 -0.51 4.01 4.19 1zc1A8 GLY 11 H 0.04 0.07 -0.24 -0.55 8.43 7.76 1zc1A8 GLY 11 HA2 0.06 0.14 0.61 -0.51 4.01 4.32 1zc1A8 GLY 11 HA3 0.04 0.06 0.19 -0.51 4.01 3.78 1zc1A8 ASN 12 H 0.03 0.17 0.12 -0.55 8.53 8.31 1zc1A8 ASN 12 HA 0.01 0.07 0.36 -0.75 4.76 4.44 1zc1A8 ASN 12 HB2 -0.02 -0.02 -0.13 -0.04 2.88 2.66 1zc1A8 ASN 12 HB3 -0.01 0.17 0.15 -0.04 2.79 3.06 1zc1A8 ASN 12 HD21 -0.01 -0.00 0.03 -0.04 7.03 7.01 1zc1A8 ASN 12 HD22 -0.02 -0.01 0.04 -0.04 7.74 7.70 1zc1A8 GLY 13 H 0.07 -0.00 -0.13 -0.55 8.43 7.82 1zc1A8 GLY 13 HA2 -0.11 0.24 0.78 -0.51 4.01 4.40 1zc1A8 GLY 13 HA3 -0.15 0.01 0.18 -0.51 4.01 3.54 1zc1A8 PHE 14 H 0.15 -0.02 0.03 -0.55 8.34 7.95 1zc1A8 PHE 14 HA -0.01 0.23 0.93 -0.75 4.62 5.02 1zc1A8 PHE 14 HB2 -0.01 -0.06 0.05 -0.04 3.15 3.09 1zc1A8 PHE 14 HB3 -0.01 0.08 -0.06 -0.04 3.06 3.04 1zc1A8 PHE 14 HD2 -0.00 -0.04 -0.04 -0.04 7.28 7.16 1zc1A8 PHE 14 HE2 -0.00 0.00 -0.04 -0.04 7.38 7.30 1zc1A8 PHE 14 HZ -0.00 -0.00 -0.03 -0.04 7.32 7.24 1zc1A8 VAL 15 H 0.11 0.22 0.11 -0.55 8.24 8.12 1zc1A8 VAL 15 HA 0.04 0.10 0.86 -0.75 4.13 4.38 1zc1A8 VAL 15 HB 0.03 0.06 0.15 -0.04 2.12 2.32 1zc1A8 VAL 15 HG13 0.02 -0.07 -0.00 -0.04 0.97 0.87 1zc1A8 VAL 15 HG23 -0.00 0.01 -0.12 -0.04 0.95 0.80 1zc1A8 ASN 16 H 0.04 0.17 0.16 -0.55 8.53 8.36 1zc1A8 ASN 16 HA 0.03 0.20 0.72 -0.75 4.76 4.96 1zc1A8 ASN 16 HB2 0.02 -0.02 0.08 -0.04 2.88 2.93 1zc1A8 ASN 16 HB3 0.02 0.02 0.16 -0.04 2.79 2.95 1zc1A8 ASN 16 HD21 0.02 0.07 -0.03 -0.04 7.03 7.05 1zc1A8 ASN 16 HD22 -0.00 -0.02 -0.09 -0.04 7.74 7.58 1zc1A8 MET 17 H 0.03 -0.04 -0.14 -0.55 8.47 7.77 1zc1A8 MET 17 HA 0.02 0.12 0.65 -0.75 4.52 4.55 1zc1A8 MET 17 HB2 0.02 -0.07 0.09 -0.04 2.15 2.15 1zc1A8 MET 17 HB3 0.02 -0.03 0.10 -0.04 2.03 2.08 1zc1A8 MET 17 HG2 0.02 -0.04 -0.04 -0.04 2.63 2.53 1zc1A8 MET 17 HG3 0.03 0.26 -0.08 -0.04 2.56 2.73 1zc1A8 MET 17 HE3 0.02 -0.01 0.01 -0.04 2.10 2.07 1zc1A8 PRO 18 HA 0.03 0.11 0.47 -0.51 4.44 4.54 1zc1A8 PRO 18 HB2 0.04 0.05 -0.02 -0.04 2.28 2.30 1zc1A8 PRO 18 HB3 0.02 0.03 0.20 -0.04 2.02 2.24 1zc1A8 PRO 18 HG2 0.04 -0.02 0.00 -0.04 2.03 2.01 1zc1A8 PRO 18 HG3 0.03 -0.06 0.08 -0.04 2.03 2.04 1zc1A8 PRO 18 HD2 0.03 0.01 0.25 -0.04 3.68 3.93 1zc1A8 PRO 18 HD3 0.02 0.26 0.33 -0.04 3.65 4.22 1zc1A8 GLN 19 H 0.04 0.23 0.25 -0.55 8.47 8.44 1zc1A8 GLN 19 HA 0.06 0.16 0.88 -0.75 4.36 4.70 1zc1A8 GLN 19 HB2 0.04 -0.06 0.19 -0.04 2.15 2.29 1zc1A8 GLN 19 HB3 0.06 0.04 -0.01 -0.04 2.02 2.07 1zc1A8 GLN 19 HG2 0.04 0.02 -0.02 -0.04 2.40 2.39 1zc1A8 GLN 19 HG3 0.03 0.03 -0.09 -0.04 2.39 2.32 1zc1A8 GLN 19 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.90 1zc1A8 GLN 19 HE22 0.01 0.09 -0.00 -0.04 7.69 7.74 1zc1A8 THR 20 H 0.08 0.23 0.15 -0.55 8.28 8.19 1zc1A8 THR 20 HA 0.14 0.17 0.97 -0.75 4.39 4.91 1zc1A8 THR 20 HB 0.08 -0.00 -0.17 -0.04 4.32 4.19 1zc1A8 THR 20 HG23 0.08 0.01 -0.28 -0.04 1.22 0.98 1zc1A8 PHE 21 H 0.24 0.51 0.02 -0.55 8.34 8.56 1zc1A8 PHE 21 HA 0.06 0.14 0.97 -0.75 4.62 5.04 1zc1A8 PHE 21 HB2 0.08 0.03 -0.04 -0.04 3.15 3.18 1zc1A8 PHE 21 HB3 0.13 -0.01 0.24 -0.04 3.06 3.38 1zc1A8 PHE 21 HD2 0.10 -0.04 -0.04 -0.04 7.28 7.26 1zc1A8 PHE 21 HE2 0.07 -0.03 -0.07 -0.04 7.38 7.31 1zc1A8 PHE 21 HZ 0.01 -0.03 -0.06 -0.04 7.32 7.19 1zc1A8 GLU 22 H -0.48 0.22 0.13 -0.55 8.60 7.93 1zc1A8 GLU 22 HA -0.17 0.19 1.04 -0.75 4.29 4.60 1zc1A8 GLU 22 HB2 -0.08 0.01 -0.16 -0.04 2.09 1.82 1zc1A8 GLU 22 HB3 -0.15 -0.00 0.04 -0.04 1.99 1.84 1zc1A8 GLU 22 HG2 -0.09 -0.01 -0.35 -0.04 2.34 1.84 1zc1A8 GLU 22 HG3 -0.06 0.03 -0.13 -0.04 2.34 2.15 1zc1A8 GLU 23 H -0.12 0.51 0.24 -0.55 8.60 8.68 1zc1A8 GLU 23 HA -0.27 0.11 0.71 -0.75 4.29 4.09 1zc1A8 GLU 23 HB2 -0.34 0.04 -0.19 -0.04 2.09 1.55 1zc1A8 GLU 23 HB3 0.13 0.03 -0.03 -0.04 1.99 2.08 1zc1A8 GLU 23 HG2 -1.29 0.10 -0.08 -0.04 2.34 1.03 1zc1A8 GLU 23 HG3 -0.59 -0.01 0.12 -0.04 2.34 1.82 1zc1A8 PHE 24 H -0.67 0.16 0.15 -0.55 8.34 7.43 1zc1A8 PHE 24 HA -0.12 0.13 0.96 -0.75 4.62 4.85 1zc1A8 PHE 24 HB2 -0.13 0.03 -0.02 -0.04 3.15 2.99 1zc1A8 PHE 24 HB3 -0.14 -0.00 0.00 -0.04 3.06 2.88 1zc1A8 PHE 24 HD2 -0.16 0.00 -0.05 -0.04 7.28 7.03 1zc1A8 PHE 24 HE2 -0.11 0.01 0.03 -0.04 7.38 7.27 1zc1A8 PHE 24 HZ -0.10 0.01 0.03 -0.04 7.32 7.22 1zc1A8 PHE 25 H 0.13 0.53 0.38 -0.55 8.34 8.82 1zc1A8 PHE 25 HA -0.05 0.16 0.94 -0.75 4.62 4.92 1zc1A8 PHE 25 HB2 -0.09 0.04 -0.00 -0.04 3.15 3.05 1zc1A8 PHE 25 HB3 -0.06 0.02 -0.03 -0.04 3.06 2.94 1zc1A8 PHE 25 HD2 -0.09 0.01 -0.10 -0.04 7.28 7.05 1zc1A8 PHE 25 HE2 -0.07 -0.00 -0.08 -0.04 7.38 7.18 1zc1A8 PHE 25 HZ 0.00 -0.04 -0.08 -0.04 7.32 7.16 1zc1A8 ARG 26 H 0.11 0.21 0.20 -0.55 8.46 8.43 1zc1A8 ARG 26 HA -0.10 0.02 0.72 -0.75 4.34 4.23 1zc1A8 ARG 26 HB2 0.02 0.03 0.24 -0.04 1.90 2.15 1zc1A8 ARG 26 HB3 -0.26 0.09 0.03 -0.04 1.80 1.62 1zc1A8 ARG 26 HG2 -0.03 0.01 0.02 -0.04 1.67 1.63 1zc1A8 ARG 26 HG3 0.05 -0.03 0.04 -0.04 1.67 1.70 1zc1A8 ARG 26 HD2 0.06 -0.01 0.02 -0.04 3.22 3.24 1zc1A8 ARG 26 HD3 0.10 0.03 0.04 -0.04 3.22 3.35 1zc1A8 CYS 27 H -0.29 0.16 0.28 -0.55 8.50 8.10 1zc1A8 CYS 27 HA -0.25 0.44 1.03 -0.75 4.58 5.05 1zc1A8 CYS 27 HB2 -0.14 -0.04 -0.08 -0.04 2.97 2.67 1zc1A8 CYS 27 HB3 -0.12 -0.06 -0.06 -0.04 2.97 2.68 1zc1A8 TYR 28 H -0.26 0.57 0.51 -0.55 8.29 8.56 1zc1A8 TYR 28 HA -0.09 0.22 0.84 -0.75 4.56 4.78 1zc1A8 TYR 28 HB2 -1.27 -0.05 -0.08 -0.04 3.06 1.61 1zc1A8 TYR 28 HB3 -0.02 0.02 0.00 -0.04 2.98 2.94 1zc1A8 TYR 28 HD2 -0.27 -0.03 -0.04 -0.04 7.15 6.76 1zc1A8 TYR 28 HE2 -0.05 -0.01 -0.03 -0.04 6.85 6.71 1zc1A8 PRO 29 HA 0.11 0.13 0.52 -0.51 4.44 4.70 1zc1A8 PRO 29 HB2 0.09 -0.09 0.04 -0.04 2.28 2.28 1zc1A8 PRO 29 HB3 0.07 0.08 0.12 -0.04 2.02 2.25 1zc1A8 PRO 29 HG2 0.15 -0.00 0.15 -0.04 2.03 2.28 1zc1A8 PRO 29 HG3 0.10 0.07 0.12 -0.04 2.03 2.28 1zc1A8 PRO 29 HD2 0.31 0.14 0.25 -0.04 3.68 4.33 1zc1A8 PRO 29 HD3 0.13 0.18 0.21 -0.04 3.65 4.13 1zc1A8 ILE 30 H 0.15 0.44 0.30 -0.55 8.25 8.58 1zc1A8 ILE 30 HA 0.01 0.08 0.38 -0.75 4.18 3.90 1zc1A8 ILE 30 HB 0.07 -0.04 -0.01 -0.04 1.89 1.86 1zc1A8 ILE 30 HG12 0.24 -0.02 -0.13 -0.04 1.49 1.54 1zc1A8 ILE 30 HG13 0.20 0.08 -0.08 -0.04 1.21 1.37 1zc1A8 ILE 30 HG23 0.02 0.01 -0.13 -0.04 0.93 0.78 1zc1A8 ILE 30 HD13 0.15 0.03 -0.31 -0.04 0.88 0.70 1zc1A8 ALA 31 H 0.04 0.06 -0.15 -0.55 8.40 7.81 1zc1A8 ALA 31 HA 0.00 0.07 0.27 -0.75 4.34 3.92 1zc1A8 ALA 31 HB3 0.01 0.00 0.03 -0.04 1.41 1.42 1zc1A8 MET 32 H 0.03 0.24 -0.83 -0.55 8.47 7.36 1zc1A8 MET 32 HA 0.00 0.02 0.39 -0.75 4.52 4.18 1zc1A8 MET 32 HB2 0.05 0.15 0.04 -0.04 2.15 2.35 1zc1A8 MET 32 HB3 0.01 -0.06 -0.02 -0.04 2.03 1.91 1zc1A8 MET 32 HG2 0.03 -0.03 -0.00 -0.04 2.63 2.59 1zc1A8 MET 32 HG3 0.08 -0.05 0.01 -0.04 2.56 2.55 1zc1A8 MET 32 HE3 0.00 -0.01 -0.01 -0.04 2.10 2.04 1zc1A8 MET 33 H -0.11 0.48 -0.12 -0.55 8.47 8.17 1zc1A8 MET 33 HA -0.14 -0.07 0.37 -0.75 4.52 3.92 1zc1A8 MET 33 HB2 -0.17 0.13 0.04 -0.04 2.15 2.11 1zc1A8 MET 33 HB3 -0.19 -0.03 -0.10 -0.04 2.03 1.67 1zc1A8 MET 33 HG2 -0.40 -0.06 -0.00 -0.04 2.63 2.12 1zc1A8 MET 33 HG3 -0.53 0.02 0.06 -0.04 2.56 2.07 1zc1A8 MET 33 HE3 -0.36 0.01 -0.06 -0.04 2.10 1.64 1zc1A8 ASN 34 H -0.09 0.04 0.14 -0.55 8.53 8.08 1zc1A8 ASN 34 HA -0.04 0.15 0.42 -0.75 4.76 4.54 1zc1A8 ASN 34 HB2 -0.05 -0.04 0.11 -0.04 2.88 2.86 1zc1A8 ASN 34 HB3 -0.03 -0.11 0.11 -0.04 2.79 2.71 1zc1A8 ASN 34 HD21 -0.04 -0.03 0.04 -0.04 7.03 6.96 1zc1A8 ASN 34 HD22 -0.03 0.05 0.04 -0.04 7.74 7.75 1zc1A8 ASP 35 H -0.02 0.17 0.19 -0.55 8.40 8.19 1zc1A8 ASP 35 HA -0.01 0.17 0.41 -0.75 4.63 4.44 1zc1A8 ASP 35 HB2 -0.01 -0.06 0.13 -0.04 2.71 2.74 1zc1A8 ASP 35 HB3 0.00 0.04 0.04 -0.04 2.70 2.75 1zc1A8 ARG 36 H -0.02 0.02 -0.20 -0.55 8.46 7.71 1zc1A8 ARG 36 HA -0.01 0.10 0.38 -0.75 4.34 4.06 1zc1A8 ARG 36 HB2 -0.03 -0.06 0.03 -0.04 1.90 1.80 1zc1A8 ARG 36 HB3 -0.02 0.06 -0.01 -0.04 1.80 1.78 1zc1A8 ARG 36 HG2 -0.01 0.05 0.03 -0.04 1.67 1.70 1zc1A8 ARG 36 HG3 -0.02 -0.07 0.05 -0.04 1.67 1.59 1zc1A8 ARG 36 HD2 -0.02 -0.01 0.01 -0.04 3.22 3.16 1zc1A8 ARG 36 HD3 -0.02 0.03 0.00 -0.04 3.22 3.20 1zc1A8 ILE 37 H -0.05 0.11 -0.45 -0.55 8.25 7.32 1zc1A8 ILE 37 HA -0.06 0.18 0.76 -0.75 4.18 4.31 1zc1A8 ILE 37 HB -0.11 -0.01 -0.03 -0.04 1.89 1.70 1zc1A8 ILE 37 HG12 -0.06 0.06 -0.09 -0.04 1.49 1.36 1zc1A8 ILE 37 HG13 -0.05 -0.13 -0.20 -0.04 1.21 0.78 1zc1A8 ILE 37 HG23 -0.15 -0.00 0.05 -0.04 0.93 0.78 1zc1A8 ILE 37 HD13 -0.07 -0.01 -0.02 -0.04 0.88 0.74 1zc1A8 ARG 38 H -0.04 0.10 -0.41 -0.55 8.46 7.56 1zc1A8 ARG 38 HA -0.05 0.05 0.78 -0.75 4.34 4.37 1zc1A8 ARG 38 HB2 -0.06 0.08 -0.37 -0.04 1.90 1.51 1zc1A8 ARG 38 HB3 -0.02 -0.15 -0.10 -0.04 1.80 1.50 1zc1A8 ARG 38 HG2 0.02 -0.10 -0.43 -0.04 1.67 1.12 1zc1A8 ARG 38 HG3 -0.01 -0.06 -0.15 -0.04 1.67 1.40 1zc1A8 ARG 38 HD2 -0.03 0.33 -0.17 -0.04 3.22 3.31 1zc1A8 ARG 38 HD3 -0.00 -0.09 -0.17 -0.04 3.22 2.92 1zc1A8 LYS 39 H 0.04 0.17 0.10 -0.55 8.42 8.17 1zc1A8 LYS 39 HA 0.04 0.24 0.88 -0.75 4.32 4.73 1zc1A8 LYS 39 HB2 0.09 -0.00 0.13 -0.04 1.87 2.05 1zc1A8 LYS 39 HB3 0.06 -0.14 0.04 -0.04 1.79 1.72 1zc1A8 LYS 39 HG2 0.04 0.07 -0.07 -0.04 1.46 1.45 1zc1A8 LYS 39 HG3 0.05 0.09 -0.22 -0.04 1.46 1.33 1zc1A8 LYS 39 HD2 0.10 -0.00 -0.02 -0.04 1.69 1.73 1zc1A8 LYS 39 HD3 0.05 -0.04 -0.01 -0.04 1.68 1.64 1zc1A8 LYS 39 HE2 0.03 0.01 -0.04 -0.04 2.99 2.95 1zc1A8 LYS 39 HE3 0.05 0.06 -0.07 -0.04 2.99 2.99 1zc1A8 ASP 40 H 0.06 0.26 0.16 -0.55 8.40 8.33 1zc1A8 ASP 40 HA 0.14 0.12 0.38 -0.75 4.63 4.52 1zc1A8 ASP 40 HB2 0.07 -0.02 0.13 -0.04 2.71 2.84 1zc1A8 ASP 40 HB3 0.14 0.04 -0.00 -0.04 2.70 2.83 1zc1A8 ASP 41 H 0.09 0.10 -0.12 -0.55 8.40 7.91 1zc1A8 ASP 41 HA 0.14 0.11 0.41 -0.75 4.63 4.53 1zc1A8 ASP 41 HB2 0.06 -0.03 0.06 -0.04 2.71 2.75 1zc1A8 ASP 41 HB3 0.05 0.08 0.01 -0.04 2.70 2.80 1zc1A8 ALA 42 H 0.10 0.04 -0.35 -0.55 8.40 7.64 1zc1A8 ALA 42 HA 0.07 0.05 0.40 -0.75 4.34 4.10 1zc1A8 ALA 42 HB3 0.14 0.06 0.08 -0.04 1.41 1.66 1zc1A8 ASN 43 H 0.12 0.33 -0.26 -0.55 8.53 8.18 1zc1A8 ASN 43 HA 0.05 -0.03 0.43 -0.75 4.76 4.46 1zc1A8 ASN 43 HB2 0.04 0.20 0.16 -0.04 2.88 3.24 1zc1A8 ASN 43 HB3 -0.25 -0.08 0.05 -0.04 2.79 2.46 1zc1A8 ASN 43 HD21 0.01 -0.09 0.02 -0.04 7.03 6.93 1zc1A8 ASN 43 HD22 0.02 0.04 -0.19 -0.04 7.74 7.56 1zc1A8 PHE 44 H 0.29 0.30 -0.24 -0.55 8.34 8.14 1zc1A8 PHE 44 HA 0.08 0.07 0.79 -0.75 4.62 4.80 1zc1A8 PHE 44 HB2 0.02 0.00 0.04 -0.04 3.15 3.17 1zc1A8 PHE 44 HB3 -0.10 -0.02 -0.00 -0.04 3.06 2.90 1zc1A8 PHE 44 HD2 -0.02 0.14 -0.01 -0.04 7.28 7.35 1zc1A8 PHE 44 HE2 0.03 -0.01 -0.05 -0.04 7.38 7.31 1zc1A8 PHE 44 HZ 0.04 0.00 -0.05 -0.04 7.32 7.27 1zc1A8 GLY 45 H 0.24 0.07 -0.40 -0.55 8.43 7.79 1zc1A8 GLY 45 HA2 -0.02 0.21 0.82 -0.51 4.01 4.51 1zc1A8 GLY 45 HA3 -0.01 -0.05 0.40 -0.51 4.01 3.83 1zc1A8 GLY 46 H -0.64 0.20 0.09 -0.55 8.43 7.54 1zc1A8 GLY 46 HA2 0.37 0.21 0.87 -0.51 4.01 4.95 1zc1A8 GLY 46 HA3 0.18 0.01 0.44 -0.51 4.01 4.13 1zc1A8 LYS 47 H -0.04 0.13 -0.32 -0.55 8.42 7.64 1zc1A8 LYS 47 HA -0.14 0.12 0.56 -0.75 4.32 4.11 1zc1A8 LYS 47 HB2 -0.14 -0.05 0.10 -0.04 1.87 1.74 1zc1A8 LYS 47 HB3 -0.31 -0.07 -0.04 -0.04 1.79 1.33 1zc1A8 LYS 47 HG2 -0.16 0.09 -0.17 -0.04 1.46 1.17 1zc1A8 LYS 47 HG3 -0.19 0.02 -0.06 -0.04 1.46 1.19 1zc1A8 LYS 47 HD2 -0.10 -0.10 -0.02 -0.04 1.69 1.43 1zc1A8 LYS 47 HD3 -0.14 -0.06 -0.02 -0.04 1.68 1.41 1zc1A8 LYS 47 HE2 -0.10 0.12 -0.00 -0.04 2.99 2.97 1zc1A8 LYS 47 HE3 -0.11 0.05 0.06 -0.04 2.99 2.94 1zc1A8 ILE 48 H -0.16 0.36 0.31 -0.55 8.25 8.21 1zc1A8 ILE 48 HA -0.08 0.25 1.06 -0.75 4.18 4.64 1zc1A8 ILE 48 HB -0.04 0.04 0.05 -0.04 1.89 1.90 1zc1A8 ILE 48 HG12 0.01 0.60 0.17 -0.04 1.49 2.23 1zc1A8 ILE 48 HG13 -0.05 -0.16 -0.14 -0.04 1.21 0.82 1zc1A8 ILE 48 HG23 -0.04 -0.02 -0.14 -0.04 0.93 0.69 1zc1A8 ILE 48 HD13 -0.02 -0.02 -0.21 -0.04 0.88 0.58 1zc1A8 PHE 49 H 0.18 0.32 0.32 -0.55 8.34 8.60 1zc1A8 PHE 49 HA -0.14 0.28 1.06 -0.75 4.62 5.06 1zc1A8 PHE 49 HB2 0.08 -0.04 0.22 -0.04 3.15 3.37 1zc1A8 PHE 49 HB3 0.01 -0.09 0.15 -0.04 3.06 3.09 1zc1A8 PHE 49 HD2 -0.01 0.06 0.05 -0.04 7.28 7.35 1zc1A8 PHE 49 HE2 -0.02 0.00 -0.03 -0.04 7.38 7.29 1zc1A8 PHE 49 HZ -0.02 -0.01 -0.02 -0.04 7.32 7.22 1zc1A8 LEU 50 H -0.18 0.27 0.29 -0.55 8.37 8.20 1zc1A8 LEU 50 HA -0.05 0.30 0.90 -0.75 4.35 4.75 1zc1A8 LEU 50 HB2 -0.40 -0.03 -0.08 -0.04 1.64 1.10 1zc1A8 LEU 50 HB3 0.03 0.05 -0.00 -0.04 1.64 1.68 1zc1A8 LEU 50 HG -0.41 0.08 -0.09 -0.04 1.64 1.18 1zc1A8 LEU 50 HD13 -0.35 0.00 -0.35 -0.04 0.93 0.19 1zc1A8 LEU 50 HD23 -1.18 -0.01 -0.13 -0.04 0.89 -0.47 1zc1A8 PRO 51 HA 0.18 0.26 0.58 -0.51 4.44 4.96 1zc1A8 PRO 51 HB2 0.14 -0.15 0.08 -0.04 2.28 2.31 1zc1A8 PRO 51 HB3 0.15 0.04 0.22 -0.04 2.02 2.39 1zc1A8 PRO 51 HG2 0.28 -0.11 0.05 -0.04 2.03 2.22 1zc1A8 PRO 51 HG3 0.33 0.11 0.04 -0.04 2.03 2.47 1zc1A8 PRO 51 HD2 -0.32 0.11 0.15 -0.04 3.68 3.57 1zc1A8 PRO 51 HD3 0.03 0.23 0.04 -0.04 3.65 3.91 1zc1A8 PRO 52 HA -0.17 0.10 0.41 -0.51 4.44 4.27 1zc1A8 PRO 52 HB2 -0.02 0.05 -0.03 -0.04 2.28 2.24 1zc1A8 PRO 52 HB3 0.03 0.10 0.05 -0.04 2.02 2.16 1zc1A8 PRO 52 HG2 0.03 0.06 0.05 -0.04 2.03 2.13 1zc1A8 PRO 52 HG3 0.05 0.06 -0.03 -0.04 2.03 2.08 1zc1A8 PRO 52 HD2 0.09 0.28 0.24 -0.04 3.68 4.26 1zc1A8 PRO 52 HD3 0.12 0.05 -0.21 -0.04 3.65 3.58 1zc1A8 SER 53 H 0.04 0.19 -0.21 -0.55 8.46 7.93 1zc1A8 SER 53 HA -0.02 0.10 0.38 -0.75 4.49 4.19 1zc1A8 SER 53 HB2 0.08 -0.01 0.04 -0.04 3.95 4.01 1zc1A8 SER 53 HB3 0.03 0.05 -0.01 -0.04 3.93 3.96 1zc1A8 ALA 54 H 0.05 0.17 -0.34 -0.55 8.40 7.73 1zc1A8 ALA 54 HA 0.12 0.11 0.41 -0.75 4.34 4.23 1zc1A8 ALA 54 HB3 0.25 0.04 -0.02 -0.04 1.41 1.63 1zc1A8 LEU 55 H -0.48 0.20 -0.25 -0.55 8.37 7.29 1zc1A8 LEU 55 HA -0.37 0.07 0.33 -0.75 4.35 3.63 1zc1A8 LEU 55 HB2 -2.51 0.00 0.04 -0.04 1.64 -0.86 1zc1A8 LEU 55 HB3 -0.62 0.08 0.12 -0.04 1.64 1.18 1zc1A8 LEU 55 HG -0.22 0.02 -0.21 -0.04 1.64 1.18 1zc1A8 LEU 55 HD13 -0.05 0.00 -0.02 -0.04 0.93 0.82 1zc1A8 LEU 55 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1zc1A8 SER 56 H -0.18 0.56 -0.22 -0.55 8.46 8.07 1zc1A8 SER 56 HA -0.09 0.03 0.38 -0.75 4.49 4.06 1zc1A8 SER 56 HB2 -0.07 0.03 0.09 -0.04 3.95 3.96 1zc1A8 SER 56 HB3 -0.06 0.10 0.10 -0.04 3.93 4.03 1zc1A8 LYS 57 H -0.10 0.35 -0.29 -0.55 8.42 7.83 1zc1A8 LYS 57 HA -0.09 0.03 0.40 -0.75 4.32 3.90 1zc1A8 LYS 57 HB2 -0.06 0.05 0.13 -0.04 1.87 1.94 1zc1A8 LYS 57 HB3 -0.23 0.13 0.09 -0.04 1.79 1.73 1zc1A8 LYS 57 HG2 -0.28 -0.00 -0.12 -0.04 1.46 1.02 1zc1A8 LYS 57 HG3 -0.07 -0.03 0.05 -0.04 1.46 1.37 1zc1A8 LYS 57 HD2 0.07 -0.01 0.00 -0.04 1.69 1.71 1zc1A8 LYS 57 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 1zc1A8 LYS 57 HE2 0.19 0.01 -0.03 -0.04 2.99 3.12 1zc1A8 LYS 57 HE3 0.08 -0.01 -0.00 -0.04 2.99 3.02 1zc1A8 LEU 58 H -0.17 0.37 -0.32 -0.55 8.37 7.71 1zc1A8 LEU 58 HA -0.20 0.03 0.36 -0.75 4.35 3.78 1zc1A8 LEU 58 HB2 -0.07 0.19 0.11 -0.04 1.64 1.83 1zc1A8 LEU 58 HB3 -0.04 -0.03 -0.03 -0.04 1.64 1.50 1zc1A8 LEU 58 HG -0.11 0.33 0.05 -0.04 1.64 1.87 1zc1A8 LEU 58 HD13 0.25 -0.03 -0.12 -0.04 0.93 0.99 1zc1A8 LEU 58 HD23 -0.21 -0.02 -0.06 -0.04 0.89 0.56 1zc1A8 SER 59 H -0.09 0.41 -0.28 -0.55 8.46 7.96 1zc1A8 SER 59 HA -0.02 0.04 0.38 -0.75 4.49 4.13 1zc1A8 SER 59 HB2 -0.04 -0.01 0.11 -0.04 3.95 3.97 1zc1A8 SER 59 HB3 -0.05 0.18 0.14 -0.04 3.93 4.16 1zc1A8 MET 60 H -0.06 0.34 -0.32 -0.55 8.47 7.87 1zc1A8 MET 60 HA -0.03 0.02 0.40 -0.75 4.52 4.16 1zc1A8 MET 60 HB2 -0.04 -0.04 0.12 -0.04 2.15 2.15 1zc1A8 MET 60 HB3 -0.06 0.22 0.15 -0.04 2.03 2.30 1zc1A8 MET 60 HG2 -0.02 0.02 -0.16 -0.04 2.63 2.43 1zc1A8 MET 60 HG3 -0.02 -0.04 0.06 -0.04 2.56 2.51 1zc1A8 MET 60 HE3 -0.02 0.00 -0.03 -0.04 2.10 2.02 1zc1A8 LEU 61 H -0.07 0.31 -0.29 -0.55 8.37 7.78 1zc1A8 LEU 61 HA -0.02 0.06 0.48 -0.75 4.35 4.11 1zc1A8 LEU 61 HB2 -0.07 0.08 0.07 -0.04 1.64 1.68 1zc1A8 LEU 61 HB3 -0.02 -0.04 0.08 -0.04 1.64 1.62 1zc1A8 LEU 61 HG -0.09 0.09 0.01 -0.04 1.64 1.60 1zc1A8 LEU 61 HD13 -0.10 -0.02 -0.05 -0.04 0.93 0.72 1zc1A8 LEU 61 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.80 1zc1A8 ASN 62 H -0.03 0.32 -0.74 -0.55 8.53 7.53 1zc1A8 ASN 62 HA -0.01 0.05 0.27 -0.75 4.76 4.31 1zc1A8 ASN 62 HB2 -0.01 0.02 -0.20 -0.04 2.88 2.65 1zc1A8 ASN 62 HB3 -0.02 0.12 0.13 -0.04 2.79 2.98 1zc1A8 ASN 62 HD21 -0.02 0.01 0.03 -0.04 7.03 7.02 1zc1A8 ASN 62 HD22 -0.02 -0.06 0.02 -0.04 7.74 7.64 1zc1A8 ILE 63 H -0.02 0.27 -0.20 -0.55 8.25 7.75 1zc1A8 ILE 63 HA -0.02 0.05 0.40 -0.75 4.18 3.86 1zc1A8 ILE 63 HB -0.01 -0.07 -0.05 -0.04 1.89 1.72 1zc1A8 ILE 63 HG12 0.00 0.01 -0.10 -0.04 1.49 1.37 1zc1A8 ILE 63 HG13 -0.03 0.04 -0.12 -0.04 1.21 1.06 1zc1A8 ILE 63 HG23 0.01 0.03 -0.22 -0.04 0.93 0.71 1zc1A8 ILE 63 HD13 -0.03 -0.04 -0.06 -0.04 0.88 0.72 1zc1A8 ARG 64 H -0.04 0.10 0.14 -0.55 8.46 8.11 1zc1A8 ARG 64 HA -0.17 0.04 0.49 -0.75 4.34 3.95 1zc1A8 ARG 64 HB2 -0.09 -0.03 0.08 -0.04 1.90 1.82 1zc1A8 ARG 64 HB3 -0.23 0.09 -0.00 -0.04 1.80 1.62 1zc1A8 ARG 64 HG2 -0.15 -0.02 0.01 -0.04 1.67 1.47 1zc1A8 ARG 64 HG3 -0.07 0.09 0.06 -0.04 1.67 1.70 1zc1A8 ARG 64 HD2 -0.06 -0.01 0.01 -0.04 3.22 3.12 1zc1A8 ARG 64 HD3 -0.12 -0.01 0.00 -0.04 3.22 3.06 1zc1A8 TYR 65 H -0.54 0.07 0.12 -0.55 8.29 7.39 1zc1A8 TYR 65 HA -0.03 0.06 0.29 -0.75 4.56 4.12 1zc1A8 TYR 65 HB2 -0.02 -0.02 0.10 -0.04 3.06 3.08 1zc1A8 TYR 65 HB3 -0.01 0.02 0.04 -0.04 2.98 2.98 1zc1A8 TYR 65 HD2 -0.01 0.06 -0.17 -0.04 7.15 6.98 1zc1A8 TYR 65 HE2 -0.00 0.00 -0.01 -0.04 6.85 6.80 1zc1A8 PRO 66 HA 0.13 -0.02 0.40 -0.51 4.44 4.43 1zc1A8 PRO 66 HB2 0.01 0.11 0.01 -0.04 2.28 2.37 1zc1A8 PRO 66 HB3 0.02 0.04 0.15 -0.04 2.02 2.19 1zc1A8 PRO 66 HG2 0.04 0.00 0.16 -0.04 2.03 2.19 1zc1A8 PRO 66 HG3 0.09 0.03 0.10 -0.04 2.03 2.20 1zc1A8 PRO 66 HD2 0.04 0.04 0.23 -0.04 3.68 3.94 1zc1A8 PRO 66 HD3 0.10 0.13 0.41 -0.04 3.65 4.25 1zc1A8 MET 67 H -0.02 0.07 0.13 -0.55 8.47 8.11 1zc1A8 MET 67 HA -0.08 0.18 0.47 -0.75 4.52 4.33 1zc1A8 MET 67 HB2 -0.19 -0.03 0.06 -0.04 2.15 1.95 1zc1A8 MET 67 HB3 -0.37 0.01 -0.09 -0.04 2.03 1.54 1zc1A8 MET 67 HG2 -0.01 0.09 -0.15 -0.04 2.63 2.52 1zc1A8 MET 67 HG3 0.04 -0.06 -0.07 -0.04 2.56 2.42 1zc1A8 MET 67 HE3 0.04 0.02 -0.11 -0.04 2.10 2.01 1zc1A8 LEU 68 H -0.12 0.19 0.16 -0.55 8.37 8.05 1zc1A8 LEU 68 HA -0.11 0.13 0.94 -0.75 4.35 4.55 1zc1A8 LEU 68 HB2 0.03 0.31 0.26 -0.04 1.64 2.20 1zc1A8 LEU 68 HB3 0.04 -0.05 0.01 -0.04 1.64 1.60 1zc1A8 LEU 68 HG -0.02 0.08 0.03 -0.04 1.64 1.69 1zc1A8 LEU 68 HD13 -0.01 -0.03 0.03 -0.04 0.93 0.88 1zc1A8 LEU 68 HD23 -0.02 -0.03 -0.35 -0.04 0.89 0.45 1zc1A8 PHE 69 H 0.06 0.34 0.19 -0.55 8.34 8.37 1zc1A8 PHE 69 HA 0.10 0.30 0.85 -0.75 4.62 5.11 1zc1A8 PHE 69 HB2 0.00 0.10 -0.13 -0.04 3.15 3.09 1zc1A8 PHE 69 HB3 0.02 -0.07 -0.19 -0.04 3.06 2.78 1zc1A8 PHE 69 HD2 0.01 0.09 -0.30 -0.04 7.28 7.04 1zc1A8 PHE 69 HE2 -0.02 -0.02 -0.19 -0.04 7.38 7.10 1zc1A8 PHE 69 HZ 0.51 -0.04 -0.21 -0.04 7.32 7.54 1zc1A8 LYS 70 H 0.22 0.37 0.34 -0.55 8.42 8.80 1zc1A8 LYS 70 HA -0.01 0.05 1.07 -0.75 4.32 4.68 1zc1A8 LYS 70 HB2 0.10 0.03 -0.08 -0.04 1.87 1.88 1zc1A8 LYS 70 HB3 0.03 -0.05 0.12 -0.04 1.79 1.84 1zc1A8 LYS 70 HG2 -0.21 0.04 -0.47 -0.04 1.46 0.79 1zc1A8 LYS 70 HG3 -0.89 -0.02 -0.27 -0.04 1.46 0.24 1zc1A8 LYS 70 HD2 -0.04 -0.00 -0.16 -0.04 1.69 1.45 1zc1A8 LYS 70 HD3 -0.05 -0.04 -0.17 -0.04 1.68 1.38 1zc1A8 LYS 70 HE2 -0.13 -0.02 -0.20 -0.04 2.99 2.60 1zc1A8 LYS 70 HE3 -0.33 0.05 -0.19 -0.04 2.99 2.49 1zc1A8 LEU 71 H -0.08 0.64 0.38 -0.55 8.37 8.76 1zc1A8 LEU 71 HA -0.04 0.51 1.01 -0.75 4.35 5.09 1zc1A8 LEU 71 HB2 -0.07 0.12 0.21 -0.04 1.64 1.86 1zc1A8 LEU 71 HB3 -0.06 -0.04 -0.01 -0.04 1.64 1.48 1zc1A8 LEU 71 HG -0.01 -0.09 -0.09 -0.04 1.64 1.40 1zc1A8 LEU 71 HD13 -0.09 -0.01 -0.11 -0.04 0.93 0.69 1zc1A8 LEU 71 HD23 -0.05 0.04 -0.23 -0.04 0.89 0.61 1zc1A8 THR 72 H -0.04 0.41 0.35 -0.55 8.28 8.46 1zc1A8 THR 72 HA -0.05 0.18 0.97 -0.75 4.39 4.73 1zc1A8 THR 72 HB -0.03 -0.07 0.07 -0.04 4.32 4.25 1zc1A8 THR 72 HG23 -0.03 -0.00 -0.23 -0.04 1.22 0.92 1zc1A8 ALA 73 H -0.04 0.51 0.10 -0.55 8.40 8.42 1zc1A8 ALA 73 HA -0.04 0.13 1.02 -0.75 4.34 4.70 1zc1A8 ALA 73 HB3 -0.04 0.02 0.11 -0.04 1.41 1.46 1zc1A8 ASN 74 H -0.03 0.23 0.15 -0.55 8.53 8.33 1zc1A8 ASN 74 HA -0.02 0.13 0.45 -0.75 4.76 4.56 1zc1A8 ASN 74 HB2 -0.03 -0.03 0.14 -0.04 2.88 2.92 1zc1A8 ASN 74 HB3 -0.03 0.05 0.01 -0.04 2.79 2.78 1zc1A8 ASN 74 HD21 -0.03 0.04 -0.02 -0.04 7.03 6.98 1zc1A8 ASN 74 HD22 -0.03 0.01 -0.08 -0.04 7.74 7.61 1zc1A8 GLU 75 H -0.03 0.06 -0.00 -0.55 8.60 8.08 1zc1A8 GLU 75 HA -0.02 0.06 0.42 -0.75 4.29 4.00 1zc1A8 GLU 75 HB2 -0.02 -0.09 0.16 -0.04 2.09 2.10 1zc1A8 GLU 75 HB3 -0.02 0.14 0.14 -0.04 1.99 2.21 1zc1A8 GLU 75 HG2 -0.01 0.06 -0.15 -0.04 2.34 2.21 1zc1A8 GLU 75 HG3 -0.01 -0.06 0.08 -0.04 2.34 2.32 1zc1A8 THR 76 H -0.02 0.03 -0.30 -0.55 8.28 7.44 1zc1A8 THR 76 HA -0.01 0.18 0.81 -0.75 4.39 4.62 1zc1A8 THR 76 HB -0.02 0.00 0.05 -0.04 4.32 4.32 1zc1A8 THR 76 HG23 -0.00 0.01 0.02 -0.04 1.22 1.20 1zc1A8 GLY 77 H -0.02 0.21 -0.18 -0.55 8.43 7.89 1zc1A8 GLY 77 HA2 -0.02 -0.03 0.35 -0.51 4.01 3.81 1zc1A8 GLY 77 HA3 -0.01 0.05 0.41 -0.51 4.01 3.95 1zc1A8 ARG 78 H -0.02 0.01 -0.61 -0.55 8.46 7.29 1zc1A8 ARG 78 HA -0.01 0.14 0.82 -0.75 4.34 4.54 1zc1A8 ARG 78 HB2 -0.01 0.02 0.02 -0.04 1.90 1.89 1zc1A8 ARG 78 HB3 -0.01 -0.01 -0.06 -0.04 1.80 1.68 1zc1A8 ARG 78 HG2 0.00 -0.02 -0.04 -0.04 1.67 1.57 1zc1A8 ARG 78 HG3 -0.00 0.17 -0.13 -0.04 1.67 1.68 1zc1A8 ARG 78 HD2 0.00 0.05 -0.01 -0.04 3.22 3.23 1zc1A8 ARG 78 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.14 1zc1A8 VAL 79 H -0.02 0.20 0.14 -0.55 8.24 8.01 1zc1A8 VAL 79 HA -0.06 0.20 1.14 -0.75 4.13 4.65 1zc1A8 VAL 79 HB -0.13 0.06 -0.10 -0.04 2.12 1.91 1zc1A8 VAL 79 HG13 -0.04 -0.03 -0.25 -0.04 0.97 0.61 1zc1A8 VAL 79 HG23 -0.04 0.00 0.08 -0.04 0.95 0.95 1zc1A8 THR 80 H -0.07 0.34 0.20 -0.55 8.28 8.20 1zc1A8 THR 80 HA 0.00 0.14 0.92 -0.75 4.39 4.69 1zc1A8 THR 80 HB 0.02 0.01 -0.04 -0.04 4.32 4.28 1zc1A8 THR 80 HG23 -0.01 0.01 -0.23 -0.04 1.22 0.96 1zc1A8 HIS 81 H 0.16 0.13 0.12 -0.55 8.41 8.28 1zc1A8 HIS 81 HA 0.06 -0.02 0.87 -0.75 4.63 4.77 1zc1A8 HIS 81 HB2 0.05 -0.06 0.06 -0.04 3.26 3.26 1zc1A8 HIS 81 HB3 0.06 0.11 -0.06 -0.04 3.20 3.27 1zc1A8 HIS 81 HD2 0.07 0.06 -0.21 -0.04 6.97 6.84 1zc1A8 HIS 81 HE1 0.02 0.05 -0.08 -0.04 7.75 7.70 1zc1A8 GLY 82 H 0.10 0.14 0.32 -0.55 8.43 8.44 1zc1A8 GLY 82 HA2 0.13 0.12 0.83 -0.51 4.01 4.58 1zc1A8 GLY 82 HA3 0.06 -0.02 0.30 -0.51 4.01 3.83 1zc1A8 GLY 83 H 0.13 0.23 0.37 -0.55 8.43 8.62 1zc1A8 GLY 83 HA2 0.05 0.08 0.89 -0.51 4.01 4.52 1zc1A8 GLY 83 HA3 0.05 -0.06 0.57 -0.51 4.01 4.05 1zc1A8 VAL 84 H -0.09 0.25 0.29 -0.55 8.24 8.13 1zc1A8 VAL 84 HA -0.13 0.03 1.10 -0.75 4.13 4.37 1zc1A8 VAL 84 HB 0.02 -0.00 -0.18 -0.04 2.12 1.92 1zc1A8 VAL 84 HG13 -0.37 0.02 -0.01 -0.04 0.97 0.57 1zc1A8 VAL 84 HG23 -0.27 0.01 -0.27 -0.04 0.95 0.37 1zc1A8 LEU 85 H -0.36 0.34 0.19 -0.55 8.37 7.98 1zc1A8 LEU 85 HA -0.18 0.20 0.77 -0.75 4.35 4.38 1zc1A8 LEU 85 HB2 -0.35 -0.02 0.02 -0.04 1.64 1.25 1zc1A8 LEU 85 HB3 -0.76 -0.05 0.12 -0.04 1.64 0.91 1zc1A8 LEU 85 HG -0.13 0.02 -0.19 -0.04 1.64 1.30 1zc1A8 LEU 85 HD13 -0.08 0.01 -0.01 -0.04 0.93 0.81 1zc1A8 LEU 85 HD23 -0.14 -0.01 -0.04 -0.04 0.89 0.66 1zc1A8 GLU 86 H -0.43 0.19 0.19 -0.55 8.60 8.00 1zc1A8 GLU 86 HA -0.06 0.18 0.66 -0.75 4.29 4.32 1zc1A8 GLU 86 HB2 0.11 -0.05 -0.08 -0.04 2.09 2.03 1zc1A8 GLU 86 HB3 0.11 0.03 0.00 -0.04 1.99 2.09 1zc1A8 GLU 86 HG2 0.03 0.06 0.05 -0.04 2.34 2.44 1zc1A8 GLU 86 HG3 -0.03 0.01 -0.61 -0.04 2.34 1.68 1zc1A8 PHE 87 H 0.31 0.20 0.12 -0.55 8.34 8.41 1zc1A8 PHE 87 HA 0.13 0.10 1.02 -0.75 4.62 5.12 1zc1A8 PHE 87 HB2 0.06 -0.03 0.09 -0.04 3.15 3.22 1zc1A8 PHE 87 HB3 0.06 -0.03 -0.35 -0.04 3.06 2.70 1zc1A8 PHE 87 HD2 0.02 -0.01 -0.37 -0.04 7.28 6.88 1zc1A8 PHE 87 HE2 0.02 0.03 -0.13 -0.04 7.38 7.25 1zc1A8 PHE 87 HZ 0.53 0.05 -0.18 -0.04 7.32 7.68 1zc1A8 ILE 88 H 0.22 0.15 0.23 -0.55 8.25 8.31 1zc1A8 ILE 88 HA 0.12 0.23 0.87 -0.75 4.18 4.63 1zc1A8 ILE 88 HB 0.01 -0.01 0.11 -0.04 1.89 1.97 1zc1A8 ILE 88 HG12 0.17 0.02 0.00 -0.04 1.49 1.64 1zc1A8 ILE 88 HG13 -0.00 -0.01 -0.24 -0.04 1.21 0.92 1zc1A8 ILE 88 HG23 0.14 0.06 -0.28 -0.04 0.93 0.81 1zc1A8 ILE 88 HD13 -0.51 0.01 -0.04 -0.04 0.88 0.30 1zc1A8 ALA 89 H 0.17 0.20 -0.01 -0.55 8.40 8.21 1zc1A8 ALA 89 HA 0.09 0.14 0.73 -0.75 4.34 4.55 1zc1A8 ALA 89 HB3 0.15 0.00 0.10 -0.04 1.41 1.63 1zc1A8 GLU 90 H 0.07 0.34 0.21 -0.55 8.60 8.66 1zc1A8 GLU 90 HA 0.07 0.08 0.47 -0.75 4.29 4.15 1zc1A8 GLU 90 HB2 0.04 -0.02 0.14 -0.04 2.09 2.20 1zc1A8 GLU 90 HB3 0.04 0.05 0.03 -0.04 1.99 2.07 1zc1A8 GLU 90 HG2 0.04 0.00 0.00 -0.04 2.34 2.35 1zc1A8 GLU 90 HG3 0.05 0.10 0.04 -0.04 2.34 2.49 1zc1A8 GLU 91 H 0.06 0.05 -0.03 -0.55 8.60 8.14 1zc1A8 GLU 91 HA 0.05 0.14 0.44 -0.75 4.29 4.17 1zc1A8 GLU 91 HB2 0.06 0.08 0.02 -0.04 2.09 2.20 1zc1A8 GLU 91 HB3 0.04 0.01 0.07 -0.04 1.99 2.07 1zc1A8 GLU 91 HG2 0.07 -0.13 0.04 -0.04 2.34 2.29 1zc1A8 GLU 91 HG3 0.09 0.01 -0.25 -0.04 2.34 2.15 1zc1A8 GLY 92 H 0.10 -0.06 -0.61 -0.55 8.43 7.32 1zc1A8 GLY 92 HA2 0.16 0.00 0.28 -0.51 4.01 3.94 1zc1A8 GLY 92 HA3 0.12 0.21 0.79 -0.51 4.01 4.61 1zc1A8 ARG 93 H 0.14 -0.02 0.09 -0.55 8.46 8.11 1zc1A8 ARG 93 HA 0.11 0.26 1.00 -0.75 4.34 4.96 1zc1A8 ARG 93 HB2 0.19 -0.13 -0.02 -0.04 1.90 1.90 1zc1A8 ARG 93 HB3 0.04 0.09 -0.09 -0.04 1.80 1.80 1zc1A8 ARG 93 HG2 0.22 0.11 -0.12 -0.04 1.67 1.84 1zc1A8 ARG 93 HG3 0.12 -0.10 -0.44 -0.04 1.67 1.20 1zc1A8 ARG 93 HD2 0.11 -0.08 -0.10 -0.04 3.22 3.11 1zc1A8 ARG 93 HD3 -0.04 0.05 -0.11 -0.04 3.22 3.09 1zc1A8 VAL 94 H -0.06 0.66 0.31 -0.55 8.24 8.60 1zc1A8 VAL 94 HA 0.05 0.36 1.13 -0.75 4.13 4.91 1zc1A8 VAL 94 HB -0.06 0.12 -0.09 -0.04 2.12 2.05 1zc1A8 VAL 94 HG13 -0.08 0.00 -0.21 -0.04 0.97 0.65 1zc1A8 VAL 94 HG23 -0.10 -0.03 -0.15 -0.04 0.95 0.63 1zc1A8 TYR 95 H 0.23 0.31 0.30 -0.55 8.29 8.58 1zc1A8 TYR 95 HA 0.07 0.30 1.17 -0.75 4.56 5.34 1zc1A8 TYR 95 HB2 0.13 -0.07 0.13 -0.04 3.06 3.21 1zc1A8 TYR 95 HB3 0.08 -0.04 0.01 -0.04 2.98 2.99 1zc1A8 TYR 95 HD2 0.08 0.02 -0.55 -0.04 7.15 6.66 1zc1A8 TYR 95 HE2 0.03 -0.01 -0.19 -0.04 6.85 6.64 1zc1A8 LEU 96 H 0.10 0.39 0.29 -0.55 8.37 8.59 1zc1A8 LEU 96 HA 0.02 0.25 0.89 -0.75 4.35 4.76 1zc1A8 LEU 96 HB2 -0.14 0.05 0.05 -0.04 1.64 1.56 1zc1A8 LEU 96 HB3 -0.06 0.01 -0.18 -0.04 1.64 1.36 1zc1A8 LEU 96 HG -0.08 0.01 -0.21 -0.04 1.64 1.31 1zc1A8 LEU 96 HD13 -0.13 -0.00 -0.19 -0.04 0.93 0.57 1zc1A8 LEU 96 HD23 -0.05 -0.01 -0.16 -0.04 0.89 0.63 1zc1A8 PRO 97 HA 0.00 -0.02 0.58 -0.51 4.44 4.49 1zc1A8 PRO 97 HB2 0.07 -0.10 0.22 -0.04 2.28 2.42 1zc1A8 PRO 97 HB3 0.16 0.23 0.31 -0.04 2.02 2.68 1zc1A8 PRO 97 HG2 -0.87 -0.26 0.13 -0.04 2.03 0.99 1zc1A8 PRO 97 HG3 0.05 0.47 0.18 -0.04 2.03 2.69 1zc1A8 PRO 97 HD2 -0.20 0.04 0.21 -0.04 3.68 3.69 1zc1A8 PRO 97 HD3 -0.02 0.29 0.18 -0.04 3.65 4.05 1zc1A8 GLN 98 H -0.01 0.20 0.26 -0.55 8.47 8.38 1zc1A8 GLN 98 HA -0.03 0.10 0.46 -0.75 4.36 4.14 1zc1A8 GLN 98 HB2 0.01 0.02 0.17 -0.04 2.15 2.31 1zc1A8 GLN 98 HB3 0.03 0.06 0.03 -0.04 2.02 2.10 1zc1A8 GLN 98 HG2 0.01 0.03 0.08 -0.04 2.40 2.49 1zc1A8 GLN 98 HG3 -0.00 -0.08 0.15 -0.04 2.39 2.41 1zc1A8 GLN 98 HE21 -0.00 -0.09 0.05 -0.04 6.97 6.89 1zc1A8 GLN 98 HE22 0.01 0.05 0.02 -0.04 7.69 7.72 1zc1A8 TRP 99 H 0.26 0.18 -0.05 -0.55 7.97 7.82 1zc1A8 TRP 99 HA 0.01 0.09 0.43 -0.75 4.62 4.40 1zc1A8 TRP 99 HB2 0.05 0.06 0.04 -0.04 3.23 3.34 1zc1A8 TRP 99 HB3 0.03 -0.01 0.10 -0.04 3.23 3.31 1zc1A8 TRP 99 HD1 -0.08 0.02 0.20 -0.04 7.22 7.31 1zc1A8 TRP 99 HE1 0.06 0.32 -0.14 -0.04 10.20 10.40 1zc1A8 TRP 99 HE3 0.06 -0.04 -0.16 -0.04 7.59 7.41 1zc1A8 TRP 99 HZ2 0.31 0.05 -0.38 -0.04 7.44 7.38 1zc1A8 TRP 99 HZ3 0.05 0.26 0.11 -0.04 7.13 7.51 1zc1A8 TRP 99 HH2 0.28 -0.01 0.01 -0.04 7.19 7.43 1zc1A8 MET 100 H -1.17 0.13 -0.31 -0.55 8.47 6.57 1zc1A8 MET 100 HA -0.67 0.11 0.43 -0.75 4.52 3.64 1zc1A8 MET 100 HB2 -0.66 0.09 0.07 -0.04 2.15 1.61 1zc1A8 MET 100 HB3 -0.50 -0.01 -0.04 -0.04 2.03 1.44 1zc1A8 MET 100 HG2 -1.64 0.03 0.01 -0.04 2.63 0.98 1zc1A8 MET 100 HG3 -3.00 -0.00 0.03 -0.04 2.56 -0.45 1zc1A8 MET 100 HE3 -0.16 -0.01 -0.04 -0.04 2.10 1.85 1zc1A8 MET 101 H -0.24 0.40 -0.22 -0.55 8.47 7.86 1zc1A8 MET 101 HA -0.11 0.02 0.35 -0.75 4.52 4.02 1zc1A8 MET 101 HB2 -0.06 0.05 0.12 -0.04 2.15 2.21 1zc1A8 MET 101 HB3 -0.05 0.20 0.02 -0.04 2.03 2.15 1zc1A8 MET 101 HG2 -0.09 -0.03 -0.11 -0.04 2.63 2.36 1zc1A8 MET 101 HG3 -0.11 0.13 -0.11 -0.04 2.56 2.43 1zc1A8 MET 101 HE3 -0.01 -0.02 -0.12 -0.04 2.10 1.91 1zc1A8 GLU 102 H -0.04 0.42 -0.27 -0.55 8.60 8.17 1zc1A8 GLU 102 HA 0.00 0.03 0.42 -0.75 4.29 3.99 1zc1A8 GLU 102 HB2 0.07 0.13 0.15 -0.04 2.09 2.40 1zc1A8 GLU 102 HB3 0.05 -0.01 0.01 -0.04 1.99 2.00 1zc1A8 GLU 102 HG2 0.03 -0.04 0.02 -0.04 2.34 2.31 1zc1A8 GLU 102 HG3 0.03 0.16 0.08 -0.04 2.34 2.57 1zc1A8 THR 103 H -0.02 0.35 -0.24 -0.55 8.28 7.83 1zc1A8 THR 103 HA 0.03 0.05 0.40 -0.75 4.39 4.12 1zc1A8 THR 103 HB -0.05 0.09 0.15 -0.04 4.32 4.46 1zc1A8 THR 103 HG23 0.04 -0.02 -0.07 -0.04 1.22 1.13 1zc1A8 LEU 104 H -0.06 0.42 -0.26 -0.55 8.37 7.93 1zc1A8 LEU 104 HA -0.03 0.12 0.53 -0.75 4.35 4.21 1zc1A8 LEU 104 HB2 -0.08 0.04 0.02 -0.04 1.64 1.58 1zc1A8 LEU 104 HB3 -0.06 -0.09 -0.02 -0.04 1.64 1.44 1zc1A8 LEU 104 HG -0.09 0.04 -0.08 -0.04 1.64 1.47 1zc1A8 LEU 104 HD13 -0.10 -0.02 -0.14 -0.04 0.93 0.63 1zc1A8 LEU 104 HD23 -0.05 -0.02 -0.08 -0.04 0.89 0.69 1zc1A8 GLY 105 H -0.02 0.22 -0.55 -0.55 8.43 7.53 1zc1A8 GLY 105 HA2 -0.01 0.03 0.29 -0.51 4.01 3.80 1zc1A8 GLY 105 HA3 -0.01 0.00 0.35 -0.51 4.01 3.84 1zc1A8 ILE 106 H -0.04 0.53 -0.04 -0.55 8.25 8.14 1zc1A8 ILE 106 HA -0.03 0.08 0.91 -0.75 4.18 4.38 1zc1A8 ILE 106 HB -0.06 -0.05 -0.02 -0.04 1.89 1.72 1zc1A8 ILE 106 HG12 -0.05 -0.06 -0.08 -0.04 1.49 1.26 1zc1A8 ILE 106 HG13 -0.05 0.06 -0.45 -0.04 1.21 0.73 1zc1A8 ILE 106 HG23 -0.06 0.03 -0.16 -0.04 0.93 0.70 1zc1A8 ILE 106 HD13 -0.06 0.01 -0.10 -0.04 0.88 0.68 1zc1A8 GLN 107 H -0.03 0.10 0.17 -0.55 8.47 8.16 1zc1A8 GLN 107 HA -0.02 0.24 0.73 -0.75 4.36 4.56 1zc1A8 GLN 107 HB2 -0.02 -0.08 0.11 -0.04 2.15 2.13 1zc1A8 GLN 107 HB3 -0.01 0.03 0.12 -0.04 2.02 2.12 1zc1A8 GLN 107 HG2 -0.01 0.06 -0.21 -0.04 2.40 2.20 1zc1A8 GLN 107 HG3 -0.01 0.04 -0.01 -0.04 2.39 2.36 1zc1A8 GLN 107 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.90 1zc1A8 GLN 107 HE22 0.00 0.01 -0.01 -0.04 7.69 7.65 1zc1A8 PRO 108 HA -0.03 0.14 0.34 -0.51 4.44 4.39 1zc1A8 PRO 108 HB2 0.07 0.05 0.09 -0.04 2.28 2.45 1zc1A8 PRO 108 HB3 0.06 -0.01 0.16 -0.04 2.02 2.19 1zc1A8 PRO 108 HG2 0.02 0.03 0.03 -0.04 2.03 2.08 1zc1A8 PRO 108 HG3 0.03 0.03 0.09 -0.04 2.03 2.14 1zc1A8 PRO 108 HD2 0.00 0.07 0.22 -0.04 3.68 3.94 1zc1A8 PRO 108 HD3 0.01 0.16 0.18 -0.04 3.65 3.96 1zc1A8 GLY 109 H -0.02 -0.11 -0.90 -0.55 8.43 6.85 1zc1A8 GLY 109 HA2 -0.01 0.21 0.85 -0.51 4.01 4.55 1zc1A8 GLY 109 HA3 -0.01 -0.05 0.24 -0.51 4.01 3.68 1zc1A8 SER 110 H -0.05 0.37 0.02 -0.55 8.46 8.25 1zc1A8 SER 110 HA -0.05 0.10 0.80 -0.75 4.49 4.58 1zc1A8 SER 110 HB2 -0.05 -0.02 0.21 -0.04 3.95 4.05 1zc1A8 SER 110 HB3 -0.05 0.06 0.15 -0.04 3.93 4.04 1zc1A8 LEU 111 H -0.06 0.05 0.20 -0.55 8.37 8.01 1zc1A8 LEU 111 HA -0.10 0.05 0.65 -0.75 4.35 4.19 1zc1A8 LEU 111 HB2 -0.05 -0.05 0.08 -0.04 1.64 1.59 1zc1A8 LEU 111 HB3 -0.01 0.09 0.02 -0.04 1.64 1.69 1zc1A8 LEU 111 HG -0.06 0.01 0.03 -0.04 1.64 1.58 1zc1A8 LEU 111 HD13 -0.07 -0.00 -0.02 -0.04 0.93 0.80 1zc1A8 LEU 111 HD23 -0.04 0.02 -0.07 -0.04 0.89 0.76 1zc1A8 LEU 112 H -0.04 0.44 0.36 -0.55 8.37 8.58 1zc1A8 LEU 112 HA -0.04 0.19 0.99 -0.75 4.35 4.73 1zc1A8 LEU 112 HB2 -0.08 0.03 -0.11 -0.04 1.64 1.44 1zc1A8 LEU 112 HB3 -0.05 0.02 -0.02 -0.04 1.64 1.55 1zc1A8 LEU 112 HG -0.04 0.00 -0.36 -0.04 1.64 1.20 1zc1A8 LEU 112 HD13 -0.06 0.01 -0.04 -0.04 0.93 0.79 1zc1A8 LEU 112 HD23 -0.08 -0.01 -0.21 -0.04 0.89 0.55 1zc1A8 GLN 113 H -0.02 0.32 0.25 -0.55 8.47 8.47 1zc1A8 GLN 113 HA 0.07 0.11 1.07 -0.75 4.36 4.85 1zc1A8 GLN 113 HB2 -0.01 -0.01 0.26 -0.04 2.15 2.35 1zc1A8 GLN 113 HB3 0.00 0.06 -0.02 -0.04 2.02 2.02 1zc1A8 GLN 113 HG2 0.04 -0.00 -0.07 -0.04 2.40 2.32 1zc1A8 GLN 113 HG3 0.00 -0.04 -0.15 -0.04 2.39 2.16 1zc1A8 GLN 113 HE21 -0.02 -0.02 -0.09 -0.04 6.97 6.80 1zc1A8 GLN 113 HE22 -0.03 0.00 -0.08 -0.04 7.69 7.54 1zc1A8 ILE 114 H 0.14 0.32 0.29 -0.55 8.25 8.45 1zc1A8 ILE 114 HA -0.02 0.39 0.96 -0.75 4.18 4.75 1zc1A8 ILE 114 HB -0.18 -0.03 0.03 -0.04 1.89 1.67 1zc1A8 ILE 114 HG12 -0.12 0.04 -0.28 -0.04 1.49 1.10 1zc1A8 ILE 114 HG13 -0.05 -0.04 -0.39 -0.04 1.21 0.69 1zc1A8 ILE 114 HG23 -0.65 -0.01 -0.28 -0.04 0.93 -0.05 1zc1A8 ILE 114 HD13 -0.36 -0.01 -0.20 -0.04 0.88 0.28 1zc1A8 SER 115 H 0.07 0.49 0.37 -0.55 8.46 8.85 1zc1A8 SER 115 HA 0.09 0.24 1.26 -0.75 4.49 5.33 1zc1A8 SER 115 HB2 0.01 -0.07 -0.07 -0.04 3.95 3.79 1zc1A8 SER 115 HB3 0.06 -0.07 0.11 -0.04 3.93 4.00 1zc1A8 SER 116 H 0.41 0.33 0.23 -0.55 8.46 8.89 1zc1A8 SER 116 HA 0.48 0.59 1.00 -0.75 4.49 5.80 1zc1A8 SER 116 HB2 0.34 0.02 0.02 -0.04 3.95 4.29 1zc1A8 SER 116 HB3 0.86 -0.08 0.01 -0.04 3.93 4.68 1zc1A8 THR 117 H 0.18 0.46 0.28 -0.55 8.28 8.65 1zc1A8 THR 117 HA 0.13 0.40 1.14 -0.75 4.39 5.31 1zc1A8 THR 117 HB 0.14 -0.15 -0.13 -0.04 4.32 4.13 1zc1A8 THR 117 HG23 0.16 -0.01 -0.16 -0.04 1.22 1.17 1zc1A8 ASP 118 H 0.06 0.64 0.32 -0.55 8.40 8.87 1zc1A8 ASP 118 HA 0.02 0.18 0.95 -0.75 4.63 5.02 1zc1A8 ASP 118 HB2 0.03 -0.15 0.24 -0.04 2.71 2.79 1zc1A8 ASP 118 HB3 0.01 0.06 -0.00 -0.04 2.70 2.73 1zc1A8 VAL 119 H 0.00 0.24 0.13 -0.55 8.24 8.06 1zc1A8 VAL 119 HA 0.01 0.15 0.89 -0.75 4.13 4.42 1zc1A8 VAL 119 HB -0.03 0.03 0.01 -0.04 2.12 2.09 1zc1A8 VAL 119 HG13 -0.02 0.00 -0.22 -0.04 0.97 0.69 1zc1A8 VAL 119 HG23 -0.04 0.01 -0.08 -0.04 0.95 0.79 1zc1A8 PRO 120 HA -0.00 0.08 0.35 -0.51 4.44 4.35 1zc1A8 PRO 120 HB2 -0.01 -0.19 -0.08 -0.04 2.28 1.96 1zc1A8 PRO 120 HB3 -0.00 0.08 0.10 -0.04 2.02 2.16 1zc1A8 PRO 120 HG2 0.00 0.02 -0.34 -0.04 2.03 1.67 1zc1A8 PRO 120 HG3 0.00 0.14 0.01 -0.04 2.03 2.14 1zc1A8 PRO 120 HD2 -0.01 -0.00 0.13 -0.04 3.68 3.76 1zc1A8 PRO 120 HD3 0.00 0.18 0.21 -0.04 3.65 4.01 1zc1A8 LEU 121 H -0.01 0.09 0.18 -0.55 8.37 8.09 1zc1A8 LEU 121 HA -0.01 0.41 0.98 -0.75 4.35 4.97 1zc1A8 LEU 121 HB2 -0.01 -0.01 0.13 -0.04 1.64 1.71 1zc1A8 LEU 121 HB3 -0.01 -0.07 0.17 -0.04 1.64 1.69 1zc1A8 LEU 121 HG -0.01 0.33 0.15 -0.04 1.64 2.07 1zc1A8 LEU 121 HD13 -0.00 -0.13 -0.07 -0.04 0.93 0.69 1zc1A8 LEU 121 HD23 -0.00 0.07 -0.23 -0.04 0.89 0.69 1zc1A8 GLY 122 H -0.01 0.17 0.25 -0.55 8.43 8.30 1zc1A8 GLY 122 HA2 0.00 0.03 0.59 -0.51 4.01 4.12 1zc1A8 GLY 122 HA3 -0.01 -0.01 0.31 -0.51 4.01 3.79 1zc1A8 GLN 123 H 0.03 0.44 0.33 -0.55 8.47 8.73 1zc1A8 GLN 123 HA 0.03 0.21 0.82 -0.75 4.36 4.67 1zc1A8 GLN 123 HB2 0.05 0.00 0.13 -0.04 2.15 2.29 1zc1A8 GLN 123 HB3 0.05 -0.02 0.10 -0.04 2.02 2.11 1zc1A8 GLN 123 HG2 0.01 0.05 -0.01 -0.04 2.40 2.41 1zc1A8 GLN 123 HG3 0.01 0.06 -0.03 -0.04 2.39 2.38 1zc1A8 GLN 123 HE21 -0.00 0.04 -0.01 -0.04 6.97 6.96 1zc1A8 GLN 123 HE22 -0.01 -0.04 -0.00 -0.04 7.69 7.60 1zc1A8 PHE 124 H 0.11 0.20 0.16 -0.55 8.34 8.25 1zc1A8 PHE 124 HA -0.04 0.24 0.82 -0.75 4.62 4.89 1zc1A8 PHE 124 HB2 -0.02 0.08 -0.16 -0.04 3.15 3.00 1zc1A8 PHE 124 HB3 -0.03 -0.10 0.06 -0.04 3.06 2.95 1zc1A8 PHE 124 HD2 -0.03 -0.03 -0.20 -0.04 7.28 6.97 1zc1A8 PHE 124 HE2 -0.03 0.00 -0.18 -0.04 7.38 7.13 1zc1A8 PHE 124 HZ -0.03 -0.02 -0.14 -0.04 7.32 7.08 1zc1A8 VAL 125 H -0.71 0.73 0.26 -0.55 8.24 7.98 1zc1A8 VAL 125 HA -0.21 0.11 1.04 -0.75 4.13 4.32 1zc1A8 VAL 125 HB -0.16 -0.02 -0.19 -0.04 2.12 1.72 1zc1A8 VAL 125 HG13 -0.26 0.14 -0.07 -0.04 0.97 0.74 1zc1A8 VAL 125 HG23 -0.18 0.01 -0.21 -0.04 0.95 0.52 1zc1A8 LYS 126 H -0.17 0.51 0.25 -0.55 8.42 8.46 1zc1A8 LYS 126 HA -0.32 0.08 0.94 -0.75 4.32 4.27 1zc1A8 LYS 126 HB2 0.12 0.00 0.07 -0.04 1.87 2.02 1zc1A8 LYS 126 HB3 -0.02 -0.30 0.33 -0.04 1.79 1.76 1zc1A8 LYS 126 HG2 -0.05 0.00 -0.25 -0.04 1.46 1.12 1zc1A8 LYS 126 HG3 -0.00 0.02 -0.08 -0.04 1.46 1.36 1zc1A8 LYS 126 HD2 0.09 0.01 -0.07 -0.04 1.69 1.68 1zc1A8 LYS 126 HD3 0.02 -0.07 -0.05 -0.04 1.68 1.54 1zc1A8 LYS 126 HE2 0.03 -0.01 -0.07 -0.04 2.99 2.90 1zc1A8 LYS 126 HE3 0.01 0.01 -0.10 -0.04 2.99 2.86 1zc1A8 LEU 127 H -0.36 0.82 0.42 -0.55 8.37 8.70 1zc1A8 LEU 127 HA -0.21 0.28 0.94 -0.75 4.35 4.60 1zc1A8 LEU 127 HB2 -0.69 0.03 0.04 -0.04 1.64 0.98 1zc1A8 LEU 127 HB3 -0.35 -0.04 -0.10 -0.04 1.64 1.10 1zc1A8 LEU 127 HG -0.35 -0.04 -0.44 -0.04 1.64 0.77 1zc1A8 LEU 127 HD13 -0.39 -0.01 -0.16 -0.04 0.93 0.33 1zc1A8 LEU 127 HD23 -0.22 0.01 -0.29 -0.04 0.89 0.35 1zc1A8 GLU 128 H -0.13 0.39 0.37 -0.55 8.60 8.68 1zc1A8 GLU 128 HA -0.04 0.20 1.01 -0.75 4.29 4.71 1zc1A8 GLU 128 HB2 -0.05 -0.00 0.12 -0.04 2.09 2.11 1zc1A8 GLU 128 HB3 -0.07 -0.10 0.30 -0.04 1.99 2.07 1zc1A8 GLU 128 HG2 -0.05 -0.13 0.05 -0.04 2.34 2.17 1zc1A8 GLU 128 HG3 -0.01 0.25 0.13 -0.04 2.34 2.67 1zc1A8 PRO 129 HA 0.00 0.11 0.56 -0.51 4.44 4.60 1zc1A8 PRO 129 HB2 0.12 -0.22 0.06 -0.04 2.28 2.20 1zc1A8 PRO 129 HB3 0.13 -0.00 0.08 -0.04 2.02 2.19 1zc1A8 PRO 129 HG2 0.09 0.03 -0.01 -0.04 2.03 2.09 1zc1A8 PRO 129 HG3 0.12 0.06 0.06 -0.04 2.03 2.22 1zc1A8 PRO 129 HD2 0.04 0.32 0.38 -0.04 3.68 4.37 1zc1A8 PRO 129 HD3 0.07 -0.02 0.41 -0.04 3.65 4.07 1zc1A8 GLN 130 H 0.12 0.11 0.22 -0.55 8.47 8.37 1zc1A8 GLN 130 HA 0.06 0.08 0.98 -0.75 4.36 4.72 1zc1A8 GLN 130 HB2 0.04 -0.05 0.23 -0.04 2.15 2.33 1zc1A8 GLN 130 HB3 -0.08 0.03 0.05 -0.04 2.02 1.98 1zc1A8 GLN 130 HG2 -0.11 0.14 -0.33 -0.04 2.40 2.05 1zc1A8 GLN 130 HG3 -0.18 -0.00 -0.00 -0.04 2.39 2.16 1zc1A8 GLN 130 HE21 -1.24 -0.04 -0.04 -0.04 6.97 5.61 1zc1A8 GLN 130 HE22 -1.90 0.02 -0.33 -0.04 7.69 5.44 1zc1A8 SER 131 H 0.50 0.22 0.16 -0.55 8.46 8.80 1zc1A8 SER 131 HA 0.14 0.10 0.34 -0.75 4.49 4.32 1zc1A8 SER 131 HB2 0.24 -0.01 -0.19 -0.04 3.95 3.96 1zc1A8 SER 131 HB3 0.14 0.05 0.23 -0.04 3.93 4.31 1zc1A8 VAL 132 H 0.16 0.06 -0.45 -0.55 8.24 7.45 1zc1A8 VAL 132 HA 0.12 -0.00 0.21 -0.75 4.13 3.70 1zc1A8 VAL 132 HB 0.06 0.00 0.16 -0.04 2.12 2.29 1zc1A8 VAL 132 HG13 0.07 0.01 0.00 -0.04 0.97 1.01 1zc1A8 VAL 132 HG23 0.06 0.03 -0.37 -0.04 0.95 0.63 1zc1A8 ASP 133 H 0.20 0.30 -0.75 -0.55 8.40 7.59 1zc1A8 ASP 133 HA 0.14 0.15 0.50 -0.75 4.63 4.67 1zc1A8 ASP 133 HB2 0.45 0.01 0.13 -0.04 2.71 3.26 1zc1A8 ASP 133 HB3 0.48 -0.02 0.01 -0.04 2.70 3.14 1zc1A8 PHE 134 H 0.30 0.08 -0.08 -0.55 8.34 8.08 1zc1A8 PHE 134 HA -0.41 0.10 0.36 -0.75 4.62 3.91 1zc1A8 PHE 134 HB2 -0.10 0.02 0.07 -0.04 3.15 3.10 1zc1A8 PHE 134 HB3 -0.04 -0.04 0.02 -0.04 3.06 2.96 1zc1A8 PHE 134 HD2 -0.38 0.01 -0.20 -0.04 7.28 6.67 1zc1A8 PHE 134 HE2 -0.66 -0.01 -0.17 -0.04 7.38 6.50 1zc1A8 PHE 134 HZ -0.01 0.16 -0.04 -0.04 7.32 7.40 1zc1A8 LEU 135 H 0.11 0.00 -0.44 -0.55 8.37 7.49 1zc1A8 LEU 135 HA -0.15 0.06 0.35 -0.75 4.35 3.86 1zc1A8 LEU 135 HB2 0.03 0.09 0.02 -0.04 1.64 1.74 1zc1A8 LEU 135 HB3 -0.03 0.05 -0.02 -0.04 1.64 1.59 1zc1A8 LEU 135 HG -0.04 0.01 -0.03 -0.04 1.64 1.54 1zc1A8 LEU 135 HD13 0.14 -0.05 -0.07 -0.04 0.93 0.91 1zc1A8 LEU 135 HD23 0.03 0.02 -0.05 -0.04 0.89 0.85 1zc1A8 ASP 136 H -0.04 0.19 -0.63 -0.55 8.40 7.37 1zc1A8 ASP 136 HA -0.06 0.04 0.40 -0.75 4.63 4.26 1zc1A8 ASP 136 HB2 -0.00 0.26 0.15 -0.04 2.71 3.07 1zc1A8 ASP 136 HB3 -0.02 -0.09 0.06 -0.04 2.70 2.61 1zc1A8 ILE 137 H -0.27 0.28 -0.51 -0.55 8.25 7.20 1zc1A8 ILE 137 HA -0.18 -0.03 0.41 -0.75 4.18 3.62 1zc1A8 ILE 137 HB -0.62 0.14 0.03 -0.04 1.89 1.39 1zc1A8 ILE 137 HG12 -0.32 -0.04 -0.02 -0.04 1.49 1.07 1zc1A8 ILE 137 HG13 -0.40 0.13 0.07 -0.04 1.21 0.97 1zc1A8 ILE 137 HG23 -0.36 -0.09 -0.24 -0.04 0.93 0.20 1zc1A8 ILE 137 HD13 -0.82 -0.05 -0.00 -0.04 0.88 -0.04 1zc1A8 SER 138 H -0.14 0.09 0.15 -0.55 8.46 8.01 1zc1A8 SER 138 HA -0.11 0.15 0.41 -0.75 4.49 4.20 1zc1A8 SER 138 HB2 -0.09 -0.08 0.12 -0.04 3.95 3.86 1zc1A8 SER 138 HB3 -0.07 0.01 0.04 -0.04 3.93 3.87 1zc1A8 ASP 139 H -0.19 0.03 -0.26 -0.55 8.40 7.43 1zc1A8 ASP 139 HA -0.14 0.27 0.88 -0.75 4.63 4.88 1zc1A8 ASP 139 HB2 -0.13 -0.02 0.13 -0.04 2.71 2.66 1zc1A8 ASP 139 HB3 -0.10 -0.09 0.12 -0.04 2.70 2.59 1zc1A8 PRO 140 HA -0.82 0.05 0.37 -0.51 4.44 3.53 1zc1A8 PRO 140 HB2 -0.45 -0.01 -0.10 -0.04 2.28 1.68 1zc1A8 PRO 140 HB3 -1.56 0.09 -0.02 -0.04 2.02 0.49 1zc1A8 PRO 140 HG2 -0.33 0.04 0.02 -0.04 2.03 1.71 1zc1A8 PRO 140 HG3 -0.49 0.25 0.02 -0.04 2.03 1.76 1zc1A8 PRO 140 HD2 -0.22 0.03 0.05 -0.04 3.68 3.50 1zc1A8 PRO 140 HD3 -0.25 0.36 -0.76 -0.04 3.65 2.96 1zc1A8 LYS 141 H -0.14 0.21 -0.23 -0.55 8.42 7.71 1zc1A8 LYS 141 HA 0.12 0.11 0.34 -0.75 4.32 4.14 1zc1A8 LYS 141 HB2 0.00 0.07 0.06 -0.04 1.87 1.96 1zc1A8 LYS 141 HB3 -0.02 -0.02 0.02 -0.04 1.79 1.72 1zc1A8 LYS 141 HG2 0.03 -0.00 -0.22 -0.04 1.46 1.22 1zc1A8 LYS 141 HG3 0.08 0.02 0.02 -0.04 1.46 1.54 1zc1A8 LYS 141 HD2 0.03 0.04 -0.02 -0.04 1.69 1.70 1zc1A8 LYS 141 HD3 0.03 0.02 -0.00 -0.04 1.68 1.69 1zc1A8 LYS 141 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 1zc1A8 LYS 141 HE3 0.00 -0.01 -0.06 -0.04 2.99 2.88 1zc1A8 ALA 142 H -0.07 0.16 -0.34 -0.55 8.40 7.61 1zc1A8 ALA 142 HA -0.01 0.09 0.38 -0.75 4.34 4.05 1zc1A8 ALA 142 HB3 -0.06 0.04 0.05 -0.04 1.41 1.40 1zc1A8 VAL 143 H -0.12 0.26 -0.27 -0.55 8.24 7.56 1zc1A8 VAL 143 HA -0.08 0.03 0.38 -0.75 4.13 3.71 1zc1A8 VAL 143 HB -0.10 0.15 0.09 -0.04 2.12 2.22 1zc1A8 VAL 143 HG13 -0.04 -0.02 -0.10 -0.04 0.97 0.77 1zc1A8 VAL 143 HG23 -0.48 -0.01 -0.01 -0.04 0.95 0.41 1zc1A8 LEU 144 H 0.20 0.50 -0.23 -0.55 8.37 8.29 1zc1A8 LEU 144 HA 0.15 0.02 0.32 -0.75 4.35 4.08 1zc1A8 LEU 144 HB2 0.55 0.07 0.05 -0.04 1.64 2.27 1zc1A8 LEU 144 HB3 0.21 0.12 0.04 -0.04 1.64 1.97 1zc1A8 LEU 144 HG 0.13 -0.00 -0.12 -0.04 1.64 1.61 1zc1A8 LEU 144 HD13 -0.04 0.01 -0.32 -0.04 0.93 0.54 1zc1A8 LEU 144 HD23 -0.12 -0.01 -0.09 -0.04 0.89 0.62 1zc1A8 GLU 145 H 0.07 0.44 -0.25 -0.55 8.60 8.31 1zc1A8 GLU 145 HA 0.03 0.05 0.36 -0.75 4.29 3.98 1zc1A8 GLU 145 HB2 0.03 0.13 0.13 -0.04 2.09 2.33 1zc1A8 GLU 145 HB3 0.03 -0.03 -0.00 -0.04 1.99 1.95 1zc1A8 GLU 145 HG2 0.03 -0.00 0.02 -0.04 2.34 2.34 1zc1A8 GLU 145 HG3 0.04 0.18 0.06 -0.04 2.34 2.59 1zc1A8 ASN 146 H 0.05 0.36 -0.32 -0.55 8.53 8.07 1zc1A8 ASN 146 HA 0.05 0.03 0.38 -0.75 4.76 4.46 1zc1A8 ASN 146 HB2 0.06 0.20 0.14 -0.04 2.88 3.24 1zc1A8 ASN 146 HB3 0.07 -0.07 -0.01 -0.04 2.79 2.75 1zc1A8 ASN 146 HD21 0.04 -0.01 0.02 -0.04 7.03 7.04 1zc1A8 ASN 146 HD22 0.04 -0.02 -0.02 -0.04 7.74 7.70 1zc1A8 VAL 147 H 0.08 0.43 -0.29 -0.55 8.24 7.91 1zc1A8 VAL 147 HA 0.17 -0.03 0.33 -0.75 4.13 3.85 1zc1A8 VAL 147 HB 0.06 0.21 0.06 -0.04 2.12 2.41 1zc1A8 VAL 147 HG13 0.12 -0.01 -0.18 -0.04 0.97 0.86 1zc1A8 VAL 147 HG23 0.10 0.01 -0.04 -0.04 0.95 0.97 1zc1A8 LEU 148 H 0.06 0.40 -0.31 -0.55 8.37 7.97 1zc1A8 LEU 148 HA 0.08 0.05 0.31 -0.75 4.35 4.03 1zc1A8 LEU 148 HB2 0.03 0.16 0.09 -0.04 1.64 1.88 1zc1A8 LEU 148 HB3 0.02 -0.04 -0.05 -0.04 1.64 1.54 1zc1A8 LEU 148 HG 0.00 0.19 -0.01 -0.04 1.64 1.78 1zc1A8 LEU 148 HD13 -0.02 -0.04 -0.12 -0.04 0.93 0.72 1zc1A8 LEU 148 HD23 -0.04 -0.02 -0.15 -0.04 0.89 0.64 1zc1A8 ARG 149 H 0.06 0.29 -0.32 -0.55 8.46 7.92 1zc1A8 ARG 149 HA 0.03 0.06 0.39 -0.75 4.34 4.07 1zc1A8 ARG 149 HB2 0.03 0.12 0.13 -0.04 1.90 2.14 1zc1A8 ARG 149 HB3 0.01 -0.06 -0.02 -0.04 1.80 1.69 1zc1A8 ARG 149 HG2 0.02 -0.01 0.02 -0.04 1.67 1.66 1zc1A8 ARG 149 HG3 0.03 0.11 0.04 -0.04 1.67 1.81 1zc1A8 ARG 149 HD2 0.02 -0.03 -0.02 -0.04 3.22 3.16 1zc1A8 ARG 149 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.15 1zc1A8 ASN 150 H 0.06 0.41 -0.19 -0.55 8.53 8.26 1zc1A8 ASN 150 HA -0.09 -0.04 0.35 -0.75 4.76 4.23 1zc1A8 ASN 150 HB2 0.04 0.17 0.14 -0.04 2.88 3.18 1zc1A8 ASN 150 HB3 -0.30 -0.15 0.02 -0.04 2.79 2.31 1zc1A8 ASN 150 HD21 0.09 -0.01 -0.07 -0.04 7.03 6.99 1zc1A8 ASN 150 HD22 0.07 -0.08 -0.11 -0.04 7.74 7.58 1zc1A8 PHE 151 H 0.21 0.48 -0.33 -0.55 8.34 8.15 1zc1A8 PHE 151 HA 0.05 -0.02 0.87 -0.75 4.62 4.77 1zc1A8 PHE 151 HB2 0.03 0.09 0.05 -0.04 3.15 3.28 1zc1A8 PHE 151 HB3 0.06 0.13 -0.02 -0.04 3.06 3.19 1zc1A8 PHE 151 HD2 0.10 0.18 0.05 -0.04 7.28 7.58 1zc1A8 PHE 151 HE2 0.28 0.00 -0.10 -0.04 7.38 7.53 1zc1A8 PHE 151 HZ -0.12 0.25 0.10 -0.04 7.32 7.50 1zc1A8 SER 152 H 0.07 0.07 0.19 -0.55 8.46 8.24 1zc1A8 SER 152 HA 0.03 0.12 0.45 -0.75 4.49 4.33 1zc1A8 SER 152 HB2 0.01 -0.12 0.32 -0.04 3.95 4.12 1zc1A8 SER 152 HB3 -0.03 0.16 0.13 -0.04 3.93 4.15 1zc1A8 THR 153 H 0.14 0.04 -0.13 -0.55 8.28 7.78 1zc1A8 THR 153 HA 0.03 0.14 0.96 -0.75 4.39 4.76 1zc1A8 THR 153 HB 0.01 -0.01 -0.13 -0.04 4.32 4.15 1zc1A8 THR 153 HG23 0.06 0.05 -0.21 -0.04 1.22 1.08 1zc1A8 LEU 154 H -0.01 0.57 0.30 -0.55 8.37 8.68 1zc1A8 LEU 154 HA -0.03 0.12 0.97 -0.75 4.35 4.66 1zc1A8 LEU 154 HB2 -0.05 0.14 0.14 -0.04 1.64 1.83 1zc1A8 LEU 154 HB3 -0.08 -0.06 -0.03 -0.04 1.64 1.43 1zc1A8 LEU 154 HG 0.02 0.04 -0.32 -0.04 1.64 1.33 1zc1A8 LEU 154 HD13 -0.05 -0.03 -0.16 -0.04 0.93 0.65 1zc1A8 LEU 154 HD23 -0.05 0.02 -0.16 -0.04 0.89 0.66 1zc1A8 THR 155 H -0.02 0.28 0.17 -0.55 8.28 8.16 1zc1A8 THR 155 HA -0.04 0.12 1.07 -0.75 4.39 4.79 1zc1A8 THR 155 HB 0.07 -0.08 0.14 -0.04 4.32 4.41 1zc1A8 THR 155 HG23 0.08 -0.02 0.12 -0.04 1.22 1.36 1zc1A8 VAL 156 H -0.02 0.25 0.25 -0.55 8.24 8.18 1zc1A8 VAL 156 HA -0.04 0.17 0.53 -0.75 4.13 4.04 1zc1A8 VAL 156 HB -0.00 -0.07 0.20 -0.04 2.12 2.21 1zc1A8 VAL 156 HG13 -0.01 -0.03 -0.10 -0.04 0.97 0.79 1zc1A8 VAL 156 HG23 -0.02 -0.05 -0.02 -0.04 0.95 0.82 1zc1A8 ASP 157 H 0.02 -0.01 -0.05 -0.55 8.40 7.81 1zc1A8 ASP 157 HA 0.01 0.11 0.45 -0.75 4.63 4.45 1zc1A8 ASP 157 HB2 0.04 -0.07 0.09 -0.04 2.71 2.74 1zc1A8 ASP 157 HB3 0.03 0.01 -0.01 -0.04 2.70 2.69 1zc1A8 ASP 158 H 0.04 -0.09 -0.25 -0.55 8.40 7.55 1zc1A8 ASP 158 HA 0.06 0.05 0.51 -0.75 4.63 4.50 1zc1A8 ASP 158 HB2 0.05 -0.05 0.14 -0.04 2.71 2.80 1zc1A8 ASP 158 HB3 0.10 0.07 -0.05 -0.04 2.70 2.78 1zc1A8 VAL 159 H 0.12 0.12 0.17 -0.55 8.24 8.10 1zc1A8 VAL 159 HA -0.06 0.19 1.02 -0.75 4.13 4.53 1zc1A8 VAL 159 HB 0.00 0.06 0.01 -0.04 2.12 2.15 1zc1A8 VAL 159 HG13 0.13 -0.01 0.09 -0.04 0.97 1.14 1zc1A8 VAL 159 HG23 -0.07 -0.01 -0.24 -0.04 0.95 0.59 1zc1A8 ILE 160 H -0.21 0.40 0.30 -0.55 8.25 8.20 1zc1A8 ILE 160 HA -0.37 0.14 0.92 -0.75 4.18 4.12 1zc1A8 ILE 160 HB -2.20 0.01 0.02 -0.04 1.89 -0.32 1zc1A8 ILE 160 HG12 -0.37 0.07 0.13 -0.04 1.49 1.28 1zc1A8 ILE 160 HG13 -0.38 -0.09 0.02 -0.04 1.21 0.71 1zc1A8 ILE 160 HG23 -0.57 0.01 -0.09 -0.04 0.93 0.23 1zc1A8 ILE 160 HD13 -0.51 -0.01 -0.10 -0.04 0.88 0.22 1zc1A8 GLU 161 H -0.62 0.23 0.21 -0.55 8.60 7.87 1zc1A8 GLU 161 HA -0.14 0.23 1.18 -0.75 4.29 4.79 1zc1A8 GLU 161 HB2 -0.76 0.03 0.10 -0.04 2.09 1.41 1zc1A8 GLU 161 HB3 -0.20 -0.03 -0.05 -0.04 1.99 1.67 1zc1A8 GLU 161 HG2 -0.16 -0.04 -0.13 -0.04 2.34 1.96 1zc1A8 GLU 161 HG3 -0.35 0.01 -0.35 -0.04 2.34 1.60 1zc1A8 ILE 162 H 0.04 0.74 0.39 -0.55 8.25 8.87 1zc1A8 ILE 162 HA 0.11 0.21 0.92 -0.75 4.18 4.67 1zc1A8 ILE 162 HB 0.15 -0.02 -0.05 -0.04 1.89 1.92 1zc1A8 ILE 162 HG12 0.13 0.08 0.03 -0.04 1.49 1.69 1zc1A8 ILE 162 HG13 0.22 -0.10 -0.01 -0.04 1.21 1.28 1zc1A8 ILE 162 HG23 0.26 0.02 -0.27 -0.04 0.93 0.89 1zc1A8 ILE 162 HD13 0.12 -0.01 -0.13 -0.04 0.88 0.83 1zc1A8 SER 163 H 0.08 0.19 0.10 -0.55 8.46 8.29 1zc1A8 SER 163 HA -0.00 0.46 1.16 -0.75 4.49 5.35 1zc1A8 SER 163 HB2 -0.42 0.03 -0.12 -0.04 3.95 3.40 1zc1A8 SER 163 HB3 -0.05 -0.05 0.07 -0.04 3.93 3.85 1zc1A8 TYR 164 H 0.23 0.82 0.26 -0.55 8.29 9.06 1zc1A8 TYR 164 HA 0.03 0.13 0.98 -0.75 4.56 4.95 1zc1A8 TYR 164 HB2 0.06 0.03 -0.12 -0.04 3.06 2.98 1zc1A8 TYR 164 HB3 0.11 0.03 0.07 -0.04 2.98 3.14 1zc1A8 TYR 164 HD2 0.02 0.02 -0.12 -0.04 7.15 7.03 1zc1A8 TYR 164 HE2 -0.01 0.01 -0.04 -0.04 6.85 6.77 1zc1A8 ASN 165 H -0.37 0.20 0.12 -0.55 8.53 7.94 1zc1A8 ASN 165 HA -0.18 0.05 0.32 -0.75 4.76 4.19 1zc1A8 ASN 165 HB2 0.06 0.16 -0.14 -0.04 2.88 2.91 1zc1A8 ASN 165 HB3 -0.04 0.03 0.22 -0.04 2.79 2.96 1zc1A8 ASN 165 HD21 0.17 0.03 -0.05 -0.04 7.03 7.15 1zc1A8 ASN 165 HD22 0.04 0.01 -0.03 -0.04 7.74 7.72 1zc1A8 GLY 166 H -0.07 0.05 -0.34 -0.55 8.43 7.52 1zc1A8 GLY 166 HA2 -0.07 -0.02 0.19 -0.51 4.01 3.59 1zc1A8 GLY 166 HA3 -0.04 0.14 0.48 -0.51 4.01 4.07 1zc1A8 LYS 167 H 0.03 0.33 -0.69 -0.55 8.42 7.54 1zc1A8 LYS 167 HA -0.11 0.16 0.84 -0.75 4.32 4.46 1zc1A8 LYS 167 HB2 0.31 0.20 0.12 -0.04 1.87 2.46 1zc1A8 LYS 167 HB3 -0.03 -0.02 -0.05 -0.04 1.79 1.64 1zc1A8 LYS 167 HG2 -0.01 -0.01 -0.05 -0.04 1.46 1.36 1zc1A8 LYS 167 HG3 0.07 0.10 -0.16 -0.04 1.46 1.43 1zc1A8 LYS 167 HD2 0.26 -0.00 -0.03 -0.04 1.69 1.88 1zc1A8 LYS 167 HD3 0.25 -0.03 -0.04 -0.04 1.68 1.81 1zc1A8 LYS 167 HE2 0.05 -0.01 -0.02 -0.04 2.99 2.97 1zc1A8 LYS 167 HE3 0.08 0.03 -0.02 -0.04 2.99 3.04 1zc1A8 THR 168 H -0.28 0.20 0.14 -0.55 8.28 7.79 1zc1A8 THR 168 HA -0.13 0.26 1.02 -0.75 4.39 4.80 1zc1A8 THR 168 HB -0.21 0.04 -0.08 -0.04 4.32 4.04 1zc1A8 THR 168 HG23 -0.51 0.00 -0.17 -0.04 1.22 0.50 1zc1A8 PHE 169 H 0.13 0.86 0.38 -0.55 8.34 9.16 1zc1A8 PHE 169 HA -0.00 0.15 0.99 -0.75 4.62 5.00 1zc1A8 PHE 169 HB2 0.07 0.03 0.09 -0.04 3.15 3.29 1zc1A8 PHE 169 HB3 0.07 -0.01 -0.01 -0.04 3.06 3.06 1zc1A8 PHE 169 HD2 0.08 0.01 -0.09 -0.04 7.28 7.24 1zc1A8 PHE 169 HE2 0.06 -0.04 -0.16 -0.04 7.38 7.19 1zc1A8 PHE 169 HZ 0.02 0.04 -0.12 -0.04 7.32 7.21 1zc1A8 LYS 170 H 0.06 0.16 0.19 -0.55 8.42 8.27 1zc1A8 LYS 170 HA -0.08 0.28 1.15 -0.75 4.32 4.92 1zc1A8 LYS 170 HB2 -0.10 0.09 -0.09 -0.04 1.87 1.73 1zc1A8 LYS 170 HB3 -0.09 -0.03 -0.13 -0.04 1.79 1.51 1zc1A8 LYS 170 HG2 -0.06 -0.10 0.10 -0.04 1.46 1.36 1zc1A8 LYS 170 HG3 -0.11 0.04 -0.07 -0.04 1.46 1.28 1zc1A8 LYS 170 HD2 -0.08 0.06 -0.08 -0.04 1.69 1.55 1zc1A8 LYS 170 HD3 -0.06 -0.02 -0.06 -0.04 1.68 1.50 1zc1A8 LYS 170 HE2 -0.13 -0.06 -0.01 -0.04 2.99 2.75 1zc1A8 LYS 170 HE3 -0.28 0.04 -0.04 -0.04 2.99 2.66 1zc1A8 ILE 171 H -0.14 0.72 0.33 -0.55 8.25 8.62 1zc1A8 ILE 171 HA -0.12 0.40 1.04 -0.75 4.18 4.74 1zc1A8 ILE 171 HB -0.21 -0.04 -0.04 -0.04 1.89 1.55 1zc1A8 ILE 171 HG12 -0.16 0.07 0.05 -0.04 1.49 1.41 1zc1A8 ILE 171 HG13 -0.21 -0.02 0.03 -0.04 1.21 0.96 1zc1A8 ILE 171 HG23 -0.21 0.00 -0.24 -0.04 0.93 0.45 1zc1A8 ILE 171 HD13 -0.20 -0.01 -0.13 -0.04 0.88 0.50 1zc1A8 LYS 172 H -0.12 0.29 0.34 -0.55 8.42 8.37 1zc1A8 LYS 172 HA -0.10 0.22 1.10 -0.75 4.32 4.79 1zc1A8 LYS 172 HB2 -0.08 -0.00 -0.03 -0.04 1.87 1.72 1zc1A8 LYS 172 HB3 -0.08 -0.07 0.17 -0.04 1.79 1.77 1zc1A8 LYS 172 HG2 -0.05 0.03 -0.40 -0.04 1.46 1.00 1zc1A8 LYS 172 HG3 -0.04 0.12 -0.10 -0.04 1.46 1.40 1zc1A8 LYS 172 HD2 -0.04 -0.03 -0.04 -0.04 1.69 1.54 1zc1A8 LYS 172 HD3 -0.04 -0.08 -0.05 -0.04 1.68 1.47 1zc1A8 LYS 172 HE2 -0.02 0.01 -0.08 -0.04 2.99 2.87 1zc1A8 LYS 172 HE3 -0.01 0.15 -0.04 -0.04 2.99 3.04 1zc1A8 ILE 173 H -0.09 0.39 0.17 -0.55 8.25 8.17 1zc1A8 ILE 173 HA -0.13 0.34 0.70 -0.75 4.18 4.34 1zc1A8 ILE 173 HB -0.07 0.30 0.14 -0.04 1.89 2.22 1zc1A8 ILE 173 HG12 -0.12 -0.08 -0.17 -0.04 1.49 1.07 1zc1A8 ILE 173 HG13 -0.16 -0.06 -0.16 -0.04 1.21 0.79 1zc1A8 ILE 173 HG23 -0.08 -0.06 -0.27 -0.04 0.93 0.48 1zc1A8 ILE 173 HD13 -0.14 0.10 0.05 -0.04 0.88 0.85 1zc1A8 LEU 174 H -0.08 0.39 0.26 -0.55 8.37 8.40 1zc1A8 LEU 174 HA -0.03 0.08 0.36 -0.75 4.35 4.01 1zc1A8 LEU 174 HB2 -0.03 -0.06 0.08 -0.04 1.64 1.60 1zc1A8 LEU 174 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 1zc1A8 LEU 174 HG -0.05 0.09 0.04 -0.04 1.64 1.68 1zc1A8 LEU 174 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 1zc1A8 LEU 174 HD23 -0.02 0.00 -0.03 -0.04 0.89 0.80 1zc1A8 GLU 175 H -0.02 0.18 0.04 -0.55 8.60 8.26 1zc1A8 GLU 175 HA 0.01 0.19 0.75 -0.75 4.29 4.49 1zc1A8 GLU 175 HB2 0.06 -0.07 -0.02 -0.04 2.09 2.01 1zc1A8 GLU 175 HB3 0.05 0.02 -0.02 -0.04 1.99 1.99 1zc1A8 GLU 175 HG2 0.01 0.09 0.05 -0.04 2.34 2.45 1zc1A8 GLU 175 HG3 0.01 -0.04 -0.55 -0.04 2.34 1.72 1zc1A8 VAL 176 H 0.03 0.29 0.18 -0.55 8.24 8.18 1zc1A8 VAL 176 HA 0.14 0.15 0.79 -0.75 4.13 4.45 1zc1A8 VAL 176 HB -0.00 0.13 0.08 -0.04 2.12 2.28 1zc1A8 VAL 176 HG13 -0.07 -0.08 -0.27 -0.04 0.97 0.51 1zc1A8 VAL 176 HG23 -0.01 -0.02 -0.20 -0.04 0.95 0.68 1zc1A8 LYS 177 H 0.15 0.68 0.28 -0.55 8.42 8.97 1zc1A8 LYS 177 HA 0.04 0.26 0.99 -0.75 4.32 4.86 1zc1A8 LYS 177 HB2 0.04 0.01 0.01 -0.04 1.87 1.89 1zc1A8 LYS 177 HB3 0.11 -0.13 0.24 -0.04 1.79 1.96 1zc1A8 LYS 177 HG2 0.02 -0.06 -0.02 -0.04 1.46 1.36 1zc1A8 LYS 177 HG3 0.01 0.18 -0.11 -0.04 1.46 1.50 1zc1A8 LYS 177 HD2 -0.01 0.05 0.01 -0.04 1.69 1.70 1zc1A8 LYS 177 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.58 1zc1A8 LYS 177 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 1zc1A8 LYS 177 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 1zc1A8 PRO 178 HA 0.00 0.09 0.64 -0.51 4.44 4.66 1zc1A8 PRO 178 HB2 -0.01 -0.14 0.10 -0.04 2.28 2.19 1zc1A8 PRO 178 HB3 -0.01 0.10 -0.13 -0.04 2.02 1.94 1zc1A8 PRO 178 HG2 0.00 0.17 0.07 -0.04 2.03 2.23 1zc1A8 PRO 178 HG3 0.00 0.01 -0.00 -0.04 2.03 1.99 1zc1A8 PRO 178 HD2 0.01 0.09 0.25 -0.04 3.68 3.99 1zc1A8 PRO 178 HD3 0.02 0.43 0.18 -0.04 3.65 4.24 1zc1A8 GLU 179 H -0.00 0.18 0.01 -0.55 8.60 8.24 1zc1A8 GLU 179 HA -0.00 0.21 0.76 -0.75 4.29 4.51 1zc1A8 GLU 179 HB2 -0.01 -0.08 0.04 -0.04 2.09 2.00 1zc1A8 GLU 179 HB3 -0.01 0.01 0.19 -0.04 1.99 2.14 1zc1A8 GLU 179 HG2 -0.01 0.00 -0.01 -0.04 2.34 2.28 1zc1A8 GLU 179 HG3 -0.00 0.04 -0.10 -0.04 2.34 2.24 1zc1A8 SER 180 H -0.00 0.09 -0.18 -0.55 8.46 7.83 1zc1A8 SER 180 HA 0.01 0.26 0.82 -0.75 4.49 4.82 1zc1A8 SER 180 HB2 0.00 0.16 -0.00 -0.04 3.95 4.07 1zc1A8 SER 180 HB3 -0.00 -0.05 0.06 -0.04 3.93 3.90 1zc1A8 SER 181 H 0.01 0.24 0.17 -0.55 8.46 8.34 1zc1A8 SER 181 HA 0.01 0.15 0.47 -0.75 4.49 4.36 1zc1A8 SER 181 HB2 0.02 0.01 0.08 -0.04 3.95 4.01 1zc1A8 SER 181 HB3 0.01 0.04 0.10 -0.04 3.93 4.05 1zc1A8 SER 182 H 0.01 0.01 -0.33 -0.55 8.46 7.60 1zc1A8 SER 182 HA 0.03 0.11 0.34 -0.75 4.49 4.20 1zc1A8 SER 182 HB2 0.01 0.05 0.00 -0.04 3.95 3.97 1zc1A8 SER 182 HB3 0.02 0.01 0.04 -0.04 3.93 3.96 1zc1A8 LYS 183 H -0.00 0.20 -0.56 -0.55 8.42 7.51 1zc1A8 LYS 183 HA -0.00 0.05 0.27 -0.75 4.32 3.88 1zc1A8 LYS 183 HB2 0.01 0.19 0.04 -0.04 1.87 2.07 1zc1A8 LYS 183 HB3 0.00 -0.06 0.23 -0.04 1.79 1.92 1zc1A8 LYS 183 HG2 0.01 0.26 -0.21 -0.04 1.46 1.48 1zc1A8 LYS 183 HG3 0.01 -0.04 -0.01 -0.04 1.46 1.38 1zc1A8 LYS 183 HD2 0.01 -0.02 0.07 -0.04 1.69 1.70 1zc1A8 LYS 183 HD3 0.00 0.02 0.07 -0.04 1.68 1.74 1zc1A8 LYS 183 HE2 0.01 -0.00 0.05 -0.04 2.99 3.00 1zc1A8 LYS 183 HE3 0.01 -0.03 0.04 -0.04 2.99 2.96 1zc1A8 SER 184 H -0.03 0.05 -0.16 -0.55 8.46 7.77 1zc1A8 SER 184 HA -0.06 0.10 0.95 -0.75 4.49 4.73 1zc1A8 SER 184 HB2 -0.23 0.08 -0.04 -0.04 3.95 3.72 1zc1A8 SER 184 HB3 -0.16 0.08 -0.18 -0.04 3.93 3.63 1zc1A8 ILE 185 H -0.07 0.71 0.31 -0.55 8.25 8.66 1zc1A8 ILE 185 HA -0.04 0.11 1.05 -0.75 4.18 4.55 1zc1A8 ILE 185 HB -0.05 0.01 0.06 -0.04 1.89 1.86 1zc1A8 ILE 185 HG12 -0.04 -0.01 -0.20 -0.04 1.49 1.19 1zc1A8 ILE 185 HG13 -0.04 0.01 -0.19 -0.04 1.21 0.95 1zc1A8 ILE 185 HG23 -0.03 -0.05 -0.05 -0.04 0.93 0.75 1zc1A8 ILE 185 HD13 -0.02 -0.01 -0.49 -0.04 0.88 0.32 1zc1A8 CYS 186 H -0.03 0.34 0.28 -0.55 8.50 8.54 1zc1A8 CYS 186 HA -0.01 0.14 0.85 -0.75 4.58 4.80 1zc1A8 CYS 186 HB2 -0.03 0.06 -0.02 -0.04 2.97 2.94 1zc1A8 CYS 186 HB3 -0.01 0.13 0.18 -0.04 2.97 3.23 1zc1A8 VAL 187 H 0.00 0.36 0.18 -0.55 8.24 8.24 1zc1A8 VAL 187 HA 0.01 0.03 0.45 -0.75 4.13 3.86 1zc1A8 VAL 187 HB -0.01 0.15 0.38 -0.04 2.12 2.60 1zc1A8 VAL 187 HG13 -0.00 -0.03 -0.05 -0.04 0.97 0.85 1zc1A8 VAL 187 HG23 -0.01 0.01 -0.25 -0.04 0.95 0.66 1zc1A8 ILE 188 H 0.02 0.22 0.06 -0.55 8.25 8.01 1zc1A8 ILE 188 HA 0.01 0.14 0.91 -0.75 4.18 4.48 1zc1A8 ILE 188 HB 0.02 0.05 0.17 -0.04 1.89 2.09 1zc1A8 ILE 188 HG12 0.00 -0.01 -0.18 -0.04 1.49 1.26 1zc1A8 ILE 188 HG13 0.01 -0.10 -0.42 -0.04 1.21 0.67 1zc1A8 ILE 188 HG23 0.01 -0.04 -0.03 -0.04 0.93 0.84 1zc1A8 ILE 188 HD13 0.03 0.02 -0.19 -0.04 0.88 0.70 1zc1A8 GLU 189 H 0.01 0.14 -0.01 -0.55 8.60 8.19 1zc1A8 GLU 189 HA 0.02 0.24 0.93 -0.75 4.29 4.73 1zc1A8 GLU 189 HB2 0.00 0.02 -0.01 -0.04 2.09 2.06 1zc1A8 GLU 189 HB3 0.01 0.02 0.05 -0.04 1.99 2.03 1zc1A8 GLU 189 HG2 0.05 0.04 -0.02 -0.04 2.34 2.36 1zc1A8 GLU 189 HG3 0.03 -0.11 -0.34 -0.04 2.34 1.88 1zc1A8 THR 190 H 0.01 0.01 0.05 -0.55 8.28 7.80 1zc1A8 THR 190 HA 0.01 0.23 0.86 -0.75 4.39 4.73 1zc1A8 THR 190 HB 0.00 0.08 0.14 -0.04 4.32 4.51 1zc1A8 THR 190 HG23 0.00 0.01 -0.02 -0.04 1.22 1.17 1zc1A8 ASP 191 H 0.01 -0.01 -0.39 -0.55 8.40 7.47 1zc1A8 ASP 191 HA 0.01 -0.04 0.28 -0.75 4.63 4.13 1zc1A8 ASP 191 HB2 0.01 0.32 0.12 -0.04 2.71 3.11 1zc1A8 ASP 191 HB3 0.01 0.00 0.02 -0.04 2.70 2.70 1zc1A8 LEU 192 H -0.00 0.01 0.03 -0.55 8.37 7.86 1zc1A8 LEU 192 HA -0.01 0.22 0.44 -0.75 4.35 4.24 1zc1A8 LEU 192 HB2 -0.01 -0.07 0.03 -0.04 1.64 1.54 1zc1A8 LEU 192 HB3 -0.04 -0.04 -0.12 -0.04 1.64 1.40 1zc1A8 LEU 192 HG -0.06 -0.01 -0.21 -0.04 1.64 1.32 1zc1A8 LEU 192 HD13 -0.02 0.00 -0.07 -0.04 0.93 0.80 1zc1A8 LEU 192 HD23 -0.06 -0.02 -0.22 -0.04 0.89 0.55 1zc1A8 VAL 193 H -0.03 0.24 -0.02 -0.55 8.24 7.88 1zc1A8 VAL 193 HA -0.04 0.10 0.82 -0.75 4.13 4.26 1zc1A8 VAL 193 HB 0.05 0.04 0.36 -0.04 2.12 2.53 1zc1A8 VAL 193 HG13 0.10 -0.01 -0.05 -0.04 0.97 0.97 1zc1A8 VAL 193 HG23 0.05 -0.00 0.06 -0.04 0.95 1.02 1zc1A8 THR 194 H -0.12 0.19 0.17 -0.55 8.28 7.98 1zc1A8 THR 194 HA -0.45 0.35 1.05 -0.75 4.39 4.58 1zc1A8 THR 194 HB -0.46 0.01 -0.06 -0.04 4.32 3.77 1zc1A8 THR 194 HG23 -0.17 0.03 -0.30 -0.04 1.22 0.73 1zc1A8 ASP 195 H -0.56 0.65 0.45 -0.55 8.40 8.39 1zc1A8 ASP 195 HA -0.10 0.15 0.99 -0.75 4.63 4.92 1zc1A8 ASP 195 HB2 -0.18 0.00 -0.15 -0.04 2.71 2.35 1zc1A8 ASP 195 HB3 -0.15 -0.06 0.04 -0.04 2.70 2.50 1zc1A8 PHE 196 H 0.16 0.16 0.18 -0.55 8.34 8.29 1zc1A8 PHE 196 HA -0.07 0.38 1.02 -0.75 4.62 5.21 1zc1A8 PHE 196 HB2 0.02 -0.02 0.07 -0.04 3.15 3.18 1zc1A8 PHE 196 HB3 0.01 0.02 -0.04 -0.04 3.06 3.01 1zc1A8 PHE 196 HD2 -0.09 0.02 -0.09 -0.04 7.28 7.08 1zc1A8 PHE 196 HE2 -0.55 -0.01 -0.16 -0.04 7.38 6.62 1zc1A8 PHE 196 HZ -0.02 -0.02 -0.15 -0.04 7.32 7.10 1zc1A8 ALA 197 H 0.09 0.33 0.28 -0.55 8.40 8.56 1zc1A8 ALA 197 HA 0.08 0.19 1.00 -0.75 4.34 4.85 1zc1A8 ALA 197 HB3 0.03 0.01 0.03 -0.04 1.41 1.45 1zc1A8 PRO 198 HA 0.06 -0.02 0.33 -0.51 4.44 4.30 1zc1A8 PRO 198 HB2 0.04 0.04 0.08 -0.04 2.28 2.40 1zc1A8 PRO 198 HB3 0.04 -0.02 0.07 -0.04 2.02 2.07 1zc1A8 PRO 198 HG2 0.04 0.02 0.10 -0.04 2.03 2.15 1zc1A8 PRO 198 HG3 0.05 0.02 0.08 -0.04 2.03 2.14 1zc1A8 PRO 198 HD2 0.05 0.10 0.23 -0.04 3.68 4.01 1zc1A8 PRO 198 HD3 0.07 0.20 0.23 -0.04 3.65 4.11 1zc1A8 PRO 199 HA 0.05 -0.05 0.39 -0.51 4.44 4.32 1zc1A8 PRO 199 HB2 0.04 0.11 -0.09 -0.04 2.28 2.31 1zc1A8 PRO 199 HB3 0.04 -0.01 0.09 -0.04 2.02 2.10 1zc1A8 PRO 199 HG2 0.03 0.04 -0.05 -0.04 2.03 2.01 1zc1A8 PRO 199 HG3 0.03 0.04 0.02 -0.04 2.03 2.07 1zc1A8 PRO 199 HD2 0.05 0.01 -0.07 -0.04 3.68 3.62 1zc1A8 PRO 199 HD3 0.04 0.10 0.09 -0.04 3.65 3.84 1zc1A8 VAL 200 H 0.09 0.05 0.22 -0.55 8.24 8.05 1zc1A8 VAL 200 HA 0.11 0.22 0.64 -0.75 4.13 4.35 1zc1A8 VAL 200 HB 0.53 -0.08 0.15 -0.04 2.12 2.67 1zc1A8 VAL 200 HG13 0.15 0.00 0.07 -0.04 0.97 1.16 1zc1A8 VAL 200 HG23 0.18 -0.01 0.12 -0.04 0.95 1.20 1zc1A8 GLY 201 H -0.03 0.63 0.29 -0.55 8.43 8.77 1zc1A8 GLY 201 HA2 -0.02 0.14 0.49 -0.51 4.01 4.11 1zc1A8 GLY 201 HA3 -0.10 0.04 0.39 -0.51 4.01 3.83 1zc1A8 TYR 202 H 0.18 0.33 -0.60 -0.55 8.29 7.65 1zc1A8 TYR 202 HA 0.01 0.15 0.83 -0.75 4.56 4.80 1zc1A8 TYR 202 HB2 0.01 -0.01 0.05 -0.04 3.06 3.07 1zc1A8 TYR 202 HB3 0.01 0.04 -0.08 -0.04 2.98 2.92 1zc1A8 TYR 202 HD2 0.02 0.02 -0.03 -0.04 7.15 7.11 1zc1A8 TYR 202 HE2 0.02 -0.28 0.08 -0.04 6.85 6.62 1zc1A8 VAL 203 H 0.08 0.21 0.15 -0.55 8.24 8.13 1zc1A8 VAL 203 HA 0.05 0.17 0.96 -0.75 4.13 4.55 1zc1A8 VAL 203 HB 0.02 -0.00 0.06 -0.04 2.12 2.16 1zc1A8 VAL 203 HG13 0.00 -0.01 -0.14 -0.04 0.97 0.78 1zc1A8 VAL 203 HG23 0.01 0.00 -0.25 -0.04 0.95 0.66 1zc1A8 GLU 204 H 0.03 0.17 0.10 -0.55 8.60 8.36 1zc1A8 GLU 204 HA 0.04 0.21 0.80 -0.75 4.29 4.58 1zc1A8 GLU 204 HB2 0.02 -0.02 0.11 -0.04 2.09 2.15 1zc1A8 GLU 204 HB3 0.02 0.04 -0.05 -0.04 1.99 1.96 1zc1A8 GLU 204 HG2 0.04 0.03 -0.16 -0.04 2.34 2.21 1zc1A8 GLU 204 HG3 0.04 0.01 -0.07 -0.04 2.34 2.27 1zc1A8 PRO 205 HA -0.11 0.07 0.47 -0.51 4.44 4.37 1zc1A8 PRO 205 HB2 -0.12 0.01 0.02 -0.04 2.28 2.15 1zc1A8 PRO 205 HB3 -0.04 0.05 0.05 -0.04 2.02 2.04 1zc1A8 PRO 205 HG2 0.10 -0.01 0.17 -0.04 2.03 2.25 1zc1A8 PRO 205 HG3 0.07 0.05 0.10 -0.04 2.03 2.20 1zc1A8 PRO 205 HD2 0.04 0.04 0.21 -0.04 3.68 3.93 1zc1A8 PRO 205 HD3 0.04 0.31 0.26 -0.04 3.65 4.22 1zc1A8 ASP 206 H -0.12 0.23 0.20 -0.55 8.40 8.17 1zc1A8 ASP 206 HA 0.01 0.12 0.81 -0.75 4.63 4.82 1zc1A8 ASP 206 HB2 -0.04 0.00 0.13 -0.04 2.71 2.76 1zc1A8 ASP 206 HB3 -0.01 0.01 -0.07 -0.04 2.70 2.59 1zc1A8 TYR 207 H 0.17 0.19 0.13 -0.55 8.29 8.23 1zc1A8 TYR 207 HA 0.01 0.15 0.81 -0.75 4.56 4.77 1zc1A8 TYR 207 HB2 0.01 -0.01 0.14 -0.04 3.06 3.15 1zc1A8 TYR 207 HB3 0.01 0.02 -0.02 -0.04 2.98 2.95 1zc1A8 TYR 207 HD2 0.01 0.02 -0.01 -0.04 7.15 7.13 1zc1A8 TYR 207 HE2 0.01 0.02 -0.04 -0.04 6.85 6.80 1zc1A8 LYS 208 H 0.07 0.24 0.07 -0.55 8.42 8.24 1zc1A8 LYS 208 HA 0.05 0.25 0.72 -0.75 4.32 4.59 1zc1A8 LYS 208 HB2 0.02 0.04 -0.11 -0.04 1.87 1.77 1zc1A8 LYS 208 HB3 0.02 0.02 0.06 -0.04 1.79 1.86 1zc1A8 LYS 208 HG2 0.01 0.00 0.01 -0.04 1.46 1.44 1zc1A8 LYS 208 HG3 0.02 -0.01 0.04 -0.04 1.46 1.47 1zc1A8 LYS 208 HD2 0.03 0.02 0.06 -0.04 1.69 1.75 1zc1A8 LYS 208 HD3 0.02 0.01 -0.01 -0.04 1.68 1.66 1zc1A8 LYS 208 HE2 0.01 -0.00 0.00 -0.04 2.99 2.96 1zc1A8 LYS 208 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97