============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 6 0.840 17.107 17.877 11.558 -99.200 -91.000 PHE 19 1.000 3.380 11.572 27.546 -99.200 -91.000 PHE 35 1.000 36.464 -0.158 18.247 -99.200 -91.000 PHE 40 1.000 31.831 10.460 21.737 -99.200 -91.000 PHE 41 1.000 29.700 1.966 22.664 -99.200 -91.000 PHE 46 1.000 20.597 2.219 30.040 -99.200 -91.000 PHE 52 1.000 14.706 1.652 16.841 -99.200 -91.000 PHE 54 1.000 7.429 6.193 24.489 -99.200 -91.000 PHE 76 1.000 2.978 -4.475 9.396 -99.200 -91.000 HIS 81 0.900 5.763 0.246 15.443 -99.200 -91.000 TYR 115 0.840 4.128 -1.277 27.893 -99.200 -91.000 TYR 122 0.840 4.015 -12.150 12.101 -99.200 -91.000 TYR 125 0.840 11.154 -18.157 11.267 -99.200 -91.000 TYR 148 0.840 9.731 -2.072 8.253 -99.200 -91.000 HIS 150 0.900 3.272 6.692 9.049 -99.200 -91.000 HIS 152 0.900 3.196 11.442 10.516 -99.200 -91.000 PHE 165 1.000 24.955 12.910 14.307 -99.200 -91.000 PHE 175 1.000 30.301 1.628 12.388 -99.200 -91.000 HIS 193 0.900 19.998 20.056 10.475 -99.200 -91.000 PHE 194 1.000 21.633 17.818 14.711 -99.200 -91.000 TYR 201 0.840 30.278 2.953 7.539 -99.200 -91.000 PHE 215 1.000 24.095 1.554 -0.130 -99.200 -91.000 HIS 222 0.900 10.892 -7.847 -2.816 -99.200 -91.000 HIS 237 0.900 9.581 -6.070 1.577 -99.200 -91.000 TYR 241 0.840 6.553 6.759 2.706 -99.200 -91.000 PHE 243 1.000 16.387 0.876 -1.929 -99.200 -91.000 PHE 267 1.000 33.357 -4.511 24.740 -99.200 -91.000 TYR 268 0.840 27.118 -3.128 23.460 -99.200 -91.000 PHE 284 1.000 31.397 -2.163 20.237 -99.200 -91.000 TYR 313 0.840 21.746 -10.656 28.635 -99.200 -91.000 HIS 315 0.900 21.852 -21.177 25.198 -99.200 -91.000 PHE 316 1.000 21.156 -15.496 22.592 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zr8A1 LEU 5 HA -0.10 -0.10 0.18 -0.75 4.35 3.57 2zr8A1 LEU 5 HB2 -0.16 0.00 0.01 -0.04 1.64 1.44 2zr8A1 LEU 5 HB3 -0.16 0.02 0.01 -0.04 1.64 1.47 2zr8A1 LEU 5 HG -0.78 0.03 -0.25 -0.04 1.64 0.60 2zr8A1 LEU 5 HD13 -0.55 -0.01 -0.02 -0.04 0.93 0.30 2zr8A1 LEU 5 HD23 -0.46 -0.03 -0.20 -0.04 0.89 0.15 2zr8A1 VAL 6 H 0.03 0.08 0.05 -0.55 8.24 7.84 2zr8A1 VAL 6 HA 0.02 0.12 0.61 -0.75 4.13 4.13 2zr8A1 VAL 6 HB 0.06 -0.06 0.14 -0.04 2.12 2.22 2zr8A1 VAL 6 HG13 0.03 0.02 -0.10 -0.04 0.97 0.87 2zr8A1 VAL 6 HG23 0.02 0.01 0.02 -0.04 0.95 0.95 2zr8A1 LEU 7 H 0.04 0.21 0.16 -0.55 8.37 8.24 2zr8A1 LEU 7 HA 0.20 0.05 0.54 -0.75 4.35 4.38 2zr8A1 LEU 7 HB2 0.04 -0.01 0.05 -0.04 1.64 1.68 2zr8A1 LEU 7 HB3 0.07 0.07 -0.01 -0.04 1.64 1.74 2zr8A1 LEU 7 HG 0.01 0.17 -0.01 -0.04 1.64 1.77 2zr8A1 LEU 7 HD13 0.01 -0.00 -0.09 -0.04 0.93 0.80 2zr8A1 LEU 7 HD23 0.08 -0.02 -0.11 -0.04 0.89 0.79 2zr8A1 PRO 8 HA 0.02 0.05 0.51 -0.51 4.44 4.51 2zr8A1 PRO 8 HB2 0.01 0.05 0.00 -0.04 2.28 2.31 2zr8A1 PRO 8 HB3 -0.01 -0.01 0.07 -0.04 2.02 2.03 2zr8A1 PRO 8 HG2 0.05 0.05 -0.01 -0.04 2.03 2.07 2zr8A1 PRO 8 HG3 -0.01 -0.06 0.05 -0.04 2.03 1.97 2zr8A1 PRO 8 HD2 0.16 0.07 0.17 -0.04 3.68 4.04 2zr8A1 PRO 8 HD3 0.05 0.14 0.17 -0.04 3.65 3.98 2zr8A1 THR 9 H 0.00 0.01 0.15 -0.55 8.28 7.90 2zr8A1 THR 9 HA 0.04 0.33 0.84 -0.75 4.39 4.84 2zr8A1 THR 9 HB 0.04 -0.01 0.18 -0.04 4.32 4.49 2zr8A1 THR 9 HG23 0.02 0.07 -0.13 -0.04 1.22 1.13 2zr8A1 TYR 10 H 0.11 0.28 0.13 -0.55 8.29 8.27 2zr8A1 TYR 10 HA -0.04 0.09 0.34 -0.75 4.56 4.19 2zr8A1 TYR 10 HB2 -0.09 0.20 0.08 -0.04 3.06 3.21 2zr8A1 TYR 10 HB3 -0.17 0.01 0.08 -0.04 2.98 2.87 2zr8A1 TYR 10 HD2 -0.32 0.01 -0.17 -0.04 7.15 6.63 2zr8A1 TYR 10 HE2 -0.21 0.02 -0.05 -0.04 6.85 6.57 2zr8A1 ASP 11 H -0.04 0.11 -0.24 -0.55 8.40 7.68 2zr8A1 ASP 11 HA -0.23 0.12 0.34 -0.75 4.63 4.10 2zr8A1 ASP 11 HB2 -0.05 -0.05 0.01 -0.04 2.71 2.57 2zr8A1 ASP 11 HB3 -0.07 0.07 -0.02 -0.04 2.70 2.63 2zr8A1 ASP 12 H -0.09 0.20 -0.33 -0.55 8.40 7.63 2zr8A1 ASP 12 HA -0.08 0.10 0.41 -0.75 4.63 4.31 2zr8A1 ASP 12 HB2 -0.03 0.14 0.04 -0.04 2.71 2.83 2zr8A1 ASP 12 HB3 -0.00 0.02 -0.01 -0.04 2.70 2.66 2zr8A1 VAL 13 H -0.22 0.29 -0.25 -0.55 8.24 7.51 2zr8A1 VAL 13 HA -0.06 0.14 0.40 -0.75 4.13 3.86 2zr8A1 VAL 13 HB -0.40 0.14 0.11 -0.04 2.12 1.93 2zr8A1 VAL 13 HG13 0.08 0.01 -0.24 -0.04 0.97 0.78 2zr8A1 VAL 13 HG23 0.03 0.03 0.03 -0.04 0.95 1.01 2zr8A1 ALA 14 H -0.59 0.50 -0.09 -0.55 8.40 7.67 2zr8A1 ALA 14 HA -0.14 0.05 0.39 -0.75 4.34 3.88 2zr8A1 ALA 14 HB3 -0.33 0.03 0.06 -0.04 1.41 1.13 2zr8A1 SER 15 H -0.15 0.46 -0.21 -0.55 8.46 8.01 2zr8A1 SER 15 HA -0.06 0.06 0.44 -0.75 4.49 4.17 2zr8A1 SER 15 HB2 -0.06 -0.02 0.06 -0.04 3.95 3.89 2zr8A1 SER 15 HB3 -0.08 0.05 0.09 -0.04 3.93 3.95 2zr8A1 ALA 16 H -0.08 0.36 -0.46 -0.55 8.40 7.68 2zr8A1 ALA 16 HA -0.05 0.02 0.42 -0.75 4.34 3.98 2zr8A1 ALA 16 HB3 -0.02 0.04 0.02 -0.04 1.41 1.41 2zr8A1 SER 17 H -0.03 0.43 -0.27 -0.55 8.46 8.04 2zr8A1 SER 17 HA 0.03 -0.02 0.36 -0.75 4.49 4.10 2zr8A1 SER 17 HB2 0.01 0.24 0.14 -0.04 3.95 4.30 2zr8A1 SER 17 HB3 0.04 -0.02 -0.02 -0.04 3.93 3.88 2zr8A1 GLU 18 H -0.01 0.30 -0.39 -0.55 8.60 7.95 2zr8A1 GLU 18 HA 0.01 0.06 0.49 -0.75 4.29 4.10 2zr8A1 GLU 18 HB2 -0.02 0.17 0.14 -0.04 2.09 2.33 2zr8A1 GLU 18 HB3 -0.01 -0.02 0.00 -0.04 1.99 1.92 2zr8A1 GLU 18 HG2 -0.01 0.13 0.06 -0.04 2.34 2.47 2zr8A1 GLU 18 HG3 -0.01 -0.03 0.01 -0.04 2.34 2.27 2zr8A1 ARG 19 H -0.02 0.36 -0.07 -0.55 8.46 8.18 2zr8A1 ARG 19 HA 0.00 0.07 0.42 -0.75 4.34 4.08 2zr8A1 ARG 19 HB2 -0.05 0.01 0.09 -0.04 1.90 1.91 2zr8A1 ARG 19 HB3 -0.04 0.01 0.03 -0.04 1.80 1.76 2zr8A1 ARG 19 HG2 -0.04 -0.03 0.01 -0.04 1.67 1.57 2zr8A1 ARG 19 HG3 -0.05 0.23 0.08 -0.04 1.67 1.88 2zr8A1 ARG 19 HD2 -0.11 -0.00 -0.00 -0.04 3.22 3.06 2zr8A1 ARG 19 HD3 -0.08 0.04 -0.07 -0.04 3.22 3.07 2zr8A1 ILE 20 H 0.01 0.41 -0.31 -0.55 8.25 7.80 2zr8A1 ILE 20 HA 0.06 0.17 0.80 -0.75 4.18 4.46 2zr8A1 ILE 20 HB 0.03 -0.15 0.07 -0.04 1.89 1.80 2zr8A1 ILE 20 HG12 0.02 0.30 0.08 -0.04 1.49 1.85 2zr8A1 ILE 20 HG13 0.06 0.11 -0.28 -0.04 1.21 1.05 2zr8A1 ILE 20 HG23 -0.07 0.02 -0.03 -0.04 0.93 0.81 2zr8A1 ILE 20 HD13 0.06 -0.05 -0.07 -0.04 0.88 0.79 2zr8A1 LYS 21 H 0.03 0.34 -0.26 -0.55 8.42 7.98 2zr8A1 LYS 21 HA 0.04 0.00 0.29 -0.75 4.32 3.90 2zr8A1 LYS 21 HB2 0.01 -0.06 0.08 -0.04 1.87 1.85 2zr8A1 LYS 21 HB3 0.02 0.19 0.20 -0.04 1.79 2.16 2zr8A1 LYS 21 HG2 0.01 0.27 0.06 -0.04 1.46 1.77 2zr8A1 LYS 21 HG3 -0.01 -0.05 -0.21 -0.04 1.46 1.15 2zr8A1 LYS 21 HD2 0.01 -0.08 0.12 -0.04 1.69 1.70 2zr8A1 LYS 21 HD3 -0.00 -0.03 0.03 -0.04 1.68 1.63 2zr8A1 LYS 21 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2zr8A1 LYS 21 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.94 2zr8A1 LYS 22 H 0.04 0.11 -0.61 -0.55 8.42 7.41 2zr8A1 LYS 22 HA -0.18 0.09 0.51 -0.75 4.32 3.99 2zr8A1 LYS 22 HB2 -0.07 0.01 0.02 -0.04 1.87 1.80 2zr8A1 LYS 22 HB3 -0.19 0.02 -0.01 -0.04 1.79 1.57 2zr8A1 LYS 22 HG2 -0.94 -0.00 -0.04 -0.04 1.46 0.43 2zr8A1 LYS 22 HG3 -0.29 -0.02 0.05 -0.04 1.46 1.16 2zr8A1 LYS 22 HD2 -0.05 -0.00 -0.01 -0.04 1.69 1.59 2zr8A1 LYS 22 HD3 0.04 0.03 -0.02 -0.04 1.68 1.70 2zr8A1 LYS 22 HE2 -0.11 -0.03 0.00 -0.04 2.99 2.82 2zr8A1 LYS 22 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2zr8A1 PHE 23 H 0.25 0.26 -0.01 -0.55 8.34 8.29 2zr8A1 PHE 23 HA 0.08 0.27 1.10 -0.75 4.62 5.31 2zr8A1 PHE 23 HB2 0.25 -0.03 0.01 -0.04 3.15 3.34 2zr8A1 PHE 23 HB3 0.25 -0.07 0.06 -0.04 3.06 3.26 2zr8A1 PHE 23 HD2 0.04 -0.01 -0.02 -0.04 7.28 7.25 2zr8A1 PHE 23 HE2 0.01 0.02 -0.03 -0.04 7.38 7.33 2zr8A1 PHE 23 HZ 0.00 0.02 -0.04 -0.04 7.32 7.27 2zr8A1 ALA 24 H 0.26 0.55 0.11 -0.55 8.40 8.77 2zr8A1 ALA 24 HA 0.36 -0.02 0.64 -0.75 4.34 4.56 2zr8A1 ALA 24 HB3 0.24 -0.01 -0.02 -0.04 1.41 1.58 2zr8A1 ASN 25 H 0.11 -0.07 0.19 -0.55 8.53 8.22 2zr8A1 ASN 25 HA 0.04 0.21 0.61 -0.75 4.76 4.87 2zr8A1 ASN 25 HB2 0.06 -0.18 0.14 -0.04 2.88 2.86 2zr8A1 ASN 25 HB3 0.05 0.06 -0.12 -0.04 2.79 2.75 2zr8A1 ASN 25 HD21 -0.03 -0.02 -0.05 -0.04 7.03 6.89 2zr8A1 ASN 25 HD22 0.01 0.27 0.05 -0.04 7.74 8.04 2zr8A1 LYS 26 H 0.04 0.23 0.00 -0.55 8.42 8.14 2zr8A1 LYS 26 HA 0.05 0.09 0.61 -0.75 4.32 4.32 2zr8A1 LYS 26 HB2 0.03 -0.02 0.18 -0.04 1.87 2.02 2zr8A1 LYS 26 HB3 0.03 0.04 0.07 -0.04 1.79 1.89 2zr8A1 LYS 26 HG2 0.03 0.05 -0.03 -0.04 1.46 1.46 2zr8A1 LYS 26 HG3 0.02 0.01 0.01 -0.04 1.46 1.46 2zr8A1 LYS 26 HD2 0.03 -0.01 -0.02 -0.04 1.69 1.66 2zr8A1 LYS 26 HD3 0.05 -0.01 -0.15 -0.04 1.68 1.53 2zr8A1 LYS 26 HE2 0.04 -0.02 -0.05 -0.04 2.99 2.92 2zr8A1 LYS 26 HE3 0.03 0.07 -0.04 -0.04 2.99 3.01 2zr8A1 THR 27 H 0.08 0.22 -0.33 -0.55 8.28 7.70 2zr8A1 THR 27 HA 0.11 0.05 0.20 -0.75 4.39 4.00 2zr8A1 THR 27 HB 0.12 0.15 -0.08 -0.04 4.32 4.47 2zr8A1 THR 27 HG23 0.11 -0.02 -0.19 -0.04 1.22 1.09 2zr8A1 PRO 28 HA 0.06 0.15 0.48 -0.51 4.44 4.62 2zr8A1 PRO 28 HB2 0.10 0.05 -0.02 -0.04 2.28 2.37 2zr8A1 PRO 28 HB3 0.06 0.06 0.11 -0.04 2.02 2.20 2zr8A1 PRO 28 HG2 0.34 -0.05 0.01 -0.04 2.03 2.29 2zr8A1 PRO 28 HG3 0.14 0.05 0.05 -0.04 2.03 2.22 2zr8A1 PRO 28 HD2 0.30 0.03 0.18 -0.04 3.68 4.15 2zr8A1 PRO 28 HD3 0.10 0.16 0.14 -0.04 3.65 4.01 2zr8A1 VAL 29 H 0.07 0.22 0.16 -0.55 8.24 8.14 2zr8A1 VAL 29 HA 0.09 0.27 0.97 -0.75 4.13 4.70 2zr8A1 VAL 29 HB 0.08 0.00 0.11 -0.04 2.12 2.27 2zr8A1 VAL 29 HG13 0.20 -0.01 -0.25 -0.04 0.97 0.86 2zr8A1 VAL 29 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 2zr8A1 LEU 30 H 0.13 0.46 0.27 -0.55 8.37 8.69 2zr8A1 LEU 30 HA 0.08 0.20 0.96 -0.75 4.35 4.84 2zr8A1 LEU 30 HB2 -0.00 -0.07 0.07 -0.04 1.64 1.59 2zr8A1 LEU 30 HB3 -0.02 0.07 0.08 -0.04 1.64 1.72 2zr8A1 LEU 30 HG 0.09 -0.04 -0.16 -0.04 1.64 1.49 2zr8A1 LEU 30 HD13 0.02 0.00 -0.04 -0.04 0.93 0.88 2zr8A1 LEU 30 HD23 0.07 0.04 -0.05 -0.04 0.89 0.90 2zr8A1 THR 31 H 0.03 0.29 0.28 -0.55 8.28 8.33 2zr8A1 THR 31 HA 0.08 0.27 0.88 -0.75 4.39 4.87 2zr8A1 THR 31 HB -0.10 -0.03 0.08 -0.04 4.32 4.22 2zr8A1 THR 31 HG23 -0.08 0.05 -0.17 -0.04 1.22 0.98 2zr8A1 SER 32 H 0.01 0.28 0.20 -0.55 8.46 8.40 2zr8A1 SER 32 HA -0.03 0.23 0.93 -0.75 4.49 4.87 2zr8A1 SER 32 HB2 -0.10 0.20 -0.07 -0.04 3.95 3.94 2zr8A1 SER 32 HB3 0.02 0.01 0.05 -0.04 3.93 3.97 2zr8A1 SER 33 H -0.00 0.27 0.17 -0.55 8.46 8.35 2zr8A1 SER 33 HA 0.00 0.13 0.49 -0.75 4.49 4.37 2zr8A1 SER 33 HB2 0.01 0.01 0.13 -0.04 3.95 4.06 2zr8A1 SER 33 HB3 0.01 0.06 0.05 -0.04 3.93 4.01 2zr8A1 THR 34 H 0.04 0.10 -0.07 -0.55 8.28 7.80 2zr8A1 THR 34 HA 0.07 0.14 0.44 -0.75 4.39 4.29 2zr8A1 THR 34 HB 0.14 -0.05 0.06 -0.04 4.32 4.43 2zr8A1 THR 34 HG23 0.20 0.02 -0.12 -0.04 1.22 1.28 2zr8A1 VAL 35 H 0.12 0.04 -0.24 -0.55 8.24 7.61 2zr8A1 VAL 35 HA 0.16 0.08 0.36 -0.75 4.13 3.97 2zr8A1 VAL 35 HB 0.06 0.06 0.11 -0.04 2.12 2.31 2zr8A1 VAL 35 HG13 -0.34 0.02 -0.19 -0.04 0.97 0.41 2zr8A1 VAL 35 HG23 0.28 -0.01 -0.05 -0.04 0.95 1.13 2zr8A1 ASN 36 H 0.01 0.52 -0.03 -0.55 8.53 8.49 2zr8A1 ASN 36 HA -0.00 0.13 0.49 -0.75 4.76 4.62 2zr8A1 ASN 36 HB2 -0.01 -0.03 0.21 -0.04 2.88 3.01 2zr8A1 ASN 36 HB3 -0.01 0.05 0.11 -0.04 2.79 2.89 2zr8A1 ASN 36 HD21 -0.22 -0.04 0.12 -0.04 7.03 6.85 2zr8A1 ASN 36 HD22 -0.08 0.01 0.04 -0.04 7.74 7.68 2zr8A1 LYS 37 H 0.06 0.44 -0.25 -0.55 8.42 8.12 2zr8A1 LYS 37 HA 0.05 0.05 0.51 -0.75 4.32 4.18 2zr8A1 LYS 37 HB2 0.04 -0.02 0.14 -0.04 1.87 1.99 2zr8A1 LYS 37 HB3 0.06 0.06 0.20 -0.04 1.79 2.07 2zr8A1 LYS 37 HG2 0.04 -0.06 -0.01 -0.04 1.46 1.39 2zr8A1 LYS 37 HG3 0.04 0.03 -0.23 -0.04 1.46 1.26 2zr8A1 LYS 37 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 2zr8A1 LYS 37 HD3 0.03 0.02 0.12 -0.04 1.68 1.81 2zr8A1 LYS 37 HE2 0.03 0.01 0.03 -0.04 2.99 3.01 2zr8A1 LYS 37 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 2zr8A1 GLU 38 H 0.13 0.53 -0.10 -0.55 8.60 8.61 2zr8A1 GLU 38 HA 0.07 0.02 0.45 -0.75 4.29 4.07 2zr8A1 GLU 38 HB2 0.14 0.01 0.11 -0.04 2.09 2.31 2zr8A1 GLU 38 HB3 0.33 0.01 0.17 -0.04 1.99 2.47 2zr8A1 GLU 38 HG2 0.01 0.04 -0.18 -0.04 2.34 2.16 2zr8A1 GLU 38 HG3 0.03 -0.04 0.01 -0.04 2.34 2.30 2zr8A1 PHE 39 H 0.38 0.66 -0.08 -0.55 8.34 8.76 2zr8A1 PHE 39 HA -0.03 0.08 0.52 -0.75 4.62 4.43 2zr8A1 PHE 39 HB2 0.00 0.07 -0.02 -0.04 3.15 3.17 2zr8A1 PHE 39 HB3 -0.01 0.02 -0.15 -0.04 3.06 2.87 2zr8A1 PHE 39 HD2 -0.03 0.02 -0.12 -0.04 7.28 7.10 2zr8A1 PHE 39 HE2 -0.20 -0.04 -0.22 -0.04 7.38 6.87 2zr8A1 PHE 39 HZ -0.54 -0.08 -0.21 -0.04 7.32 6.45 2zr8A1 VAL 40 H 0.12 0.23 -0.43 -0.55 8.24 7.61 2zr8A1 VAL 40 HA 0.06 0.03 0.37 -0.75 4.13 3.83 2zr8A1 VAL 40 HB 0.04 0.10 0.26 -0.04 2.12 2.48 2zr8A1 VAL 40 HG13 0.03 -0.04 0.14 -0.04 0.97 1.06 2zr8A1 VAL 40 HG23 0.02 0.01 -0.21 -0.04 0.95 0.73 2zr8A1 ALA 41 H 0.09 0.36 0.07 -0.55 8.40 8.38 2zr8A1 ALA 41 HA 0.06 0.07 0.61 -0.75 4.34 4.32 2zr8A1 ALA 41 HB3 0.12 0.13 -0.08 -0.04 1.41 1.53 2zr8A1 GLU 42 H 0.04 0.65 0.31 -0.55 8.60 9.05 2zr8A1 GLU 42 HA -0.17 0.08 0.92 -0.75 4.29 4.37 2zr8A1 GLU 42 HB2 0.11 0.02 0.21 -0.04 2.09 2.39 2zr8A1 GLU 42 HB3 -0.16 0.02 0.01 -0.04 1.99 1.82 2zr8A1 GLU 42 HG2 -0.03 -0.01 -0.03 -0.04 2.34 2.22 2zr8A1 GLU 42 HG3 0.04 0.00 -0.12 -0.04 2.34 2.22 2zr8A1 VAL 43 H -0.33 0.14 0.12 -0.55 8.24 7.63 2zr8A1 VAL 43 HA -0.25 0.34 1.05 -0.75 4.13 4.51 2zr8A1 VAL 43 HB -0.26 -0.12 0.02 -0.04 2.12 1.73 2zr8A1 VAL 43 HG13 -0.72 -0.01 -0.25 -0.04 0.97 -0.06 2zr8A1 VAL 43 HG23 -0.36 0.02 -0.31 -0.04 0.95 0.25 2zr8A1 PHE 44 H -0.07 0.83 0.38 -0.55 8.34 8.93 2zr8A1 PHE 44 HA -0.00 0.26 1.00 -0.75 4.62 5.12 2zr8A1 PHE 44 HB2 -0.11 -0.04 0.11 -0.04 3.15 3.07 2zr8A1 PHE 44 HB3 -0.05 0.01 -0.07 -0.04 3.06 2.91 2zr8A1 PHE 44 HD2 -0.03 0.05 -0.14 -0.04 7.28 7.13 2zr8A1 PHE 44 HE2 0.00 0.00 -0.09 -0.04 7.38 7.25 2zr8A1 PHE 44 HZ 0.01 0.00 -0.07 -0.04 7.32 7.21 2zr8A1 PHE 45 H 0.32 0.81 0.29 -0.55 8.34 9.21 2zr8A1 PHE 45 HA -0.01 0.24 1.03 -0.75 4.62 5.13 2zr8A1 PHE 45 HB2 -0.05 -0.03 0.12 -0.04 3.15 3.15 2zr8A1 PHE 45 HB3 -0.08 -0.05 -0.10 -0.04 3.06 2.79 2zr8A1 PHE 45 HD2 -0.07 0.13 -0.14 -0.04 7.28 7.16 2zr8A1 PHE 45 HE2 -0.72 -0.05 -0.15 -0.04 7.38 6.43 2zr8A1 PHE 45 HZ -0.85 -0.01 -0.15 -0.04 7.32 6.26 2zr8A1 LYS 46 H 0.03 0.56 0.32 -0.55 8.42 8.78 2zr8A1 LYS 46 HA 0.03 0.25 0.66 -0.75 4.32 4.51 2zr8A1 LYS 46 HB2 -0.05 0.08 0.01 -0.04 1.87 1.88 2zr8A1 LYS 46 HB3 -0.02 -0.18 0.19 -0.04 1.79 1.74 2zr8A1 LYS 46 HG2 -0.03 -0.01 -0.15 -0.04 1.46 1.23 2zr8A1 LYS 46 HG3 0.00 -0.15 -0.22 -0.04 1.46 1.05 2zr8A1 LYS 46 HD2 0.02 0.13 -0.13 -0.04 1.69 1.66 2zr8A1 LYS 46 HD3 -0.03 0.03 -0.12 -0.04 1.68 1.52 2zr8A1 LYS 46 HE2 -0.00 0.13 0.02 -0.04 2.99 3.09 2zr8A1 LYS 46 HE3 0.03 -0.17 -0.10 -0.04 2.99 2.71 2zr8A1 CYS 47 H 0.02 0.67 0.16 -0.55 8.50 8.80 2zr8A1 CYS 47 HA -0.16 0.03 0.67 -0.75 4.58 4.37 2zr8A1 CYS 47 HB2 -0.01 0.13 0.18 -0.04 2.97 3.23 2zr8A1 CYS 47 HB3 -0.73 -0.10 0.04 -0.04 2.97 2.14 2zr8A1 GLU 48 H -0.03 0.58 0.25 -0.55 8.60 8.85 2zr8A1 GLU 48 HA 0.06 0.12 0.43 -0.75 4.29 4.15 2zr8A1 GLU 48 HB2 0.10 0.18 0.19 -0.04 2.09 2.52 2zr8A1 GLU 48 HB3 0.19 -0.15 0.07 -0.04 1.99 2.06 2zr8A1 GLU 48 HG2 0.05 0.07 -0.08 -0.04 2.34 2.34 2zr8A1 GLU 48 HG3 0.14 -0.10 0.06 -0.04 2.34 2.40 2zr8A1 ASN 49 H -0.22 0.14 -0.52 -0.55 8.53 7.38 2zr8A1 ASN 49 HA -0.05 0.09 0.32 -0.75 4.76 4.37 2zr8A1 ASN 49 HB2 -0.18 0.07 -0.02 -0.04 2.88 2.71 2zr8A1 ASN 49 HB3 -0.20 -0.11 -0.32 -0.04 2.79 2.13 2zr8A1 ASN 49 HD21 -0.75 0.01 -0.14 -0.04 7.03 6.10 2zr8A1 ASN 49 HD22 -0.32 0.20 -0.04 -0.04 7.74 7.53 2zr8A1 PHE 50 H -0.05 0.32 -0.61 -0.55 8.34 7.45 2zr8A1 PHE 50 HA -0.02 0.17 0.75 -0.75 4.62 4.77 2zr8A1 PHE 50 HB2 -0.01 0.16 0.06 -0.04 3.15 3.33 2zr8A1 PHE 50 HB3 -0.02 -0.00 0.12 -0.04 3.06 3.12 2zr8A1 PHE 50 HD2 -0.03 0.08 -0.06 -0.04 7.28 7.23 2zr8A1 PHE 50 HE2 -0.05 0.00 -0.04 -0.04 7.38 7.26 2zr8A1 PHE 50 HZ -0.06 0.08 -0.03 -0.04 7.32 7.27 2zr8A1 GLN 51 H 0.09 0.25 -0.50 -0.55 8.47 7.76 2zr8A1 GLN 51 HA 0.07 0.06 0.49 -0.75 4.36 4.24 2zr8A1 GLN 51 HB2 0.11 -0.10 0.06 -0.04 2.15 2.18 2zr8A1 GLN 51 HB3 0.08 0.08 -0.07 -0.04 2.02 2.07 2zr8A1 GLN 51 HG2 0.18 -0.11 0.12 -0.04 2.40 2.56 2zr8A1 GLN 51 HG3 0.11 0.11 0.15 -0.04 2.39 2.72 2zr8A1 GLN 51 HE21 0.14 0.43 0.15 -0.04 6.97 7.64 2zr8A1 GLN 51 HE22 0.14 -0.09 0.07 -0.04 7.69 7.77 2zr8A1 LYS 52 H -0.10 0.05 0.20 -0.55 8.42 8.01 2zr8A1 LYS 52 HA -0.17 0.11 0.46 -0.75 4.32 3.96 2zr8A1 LYS 52 HB2 -1.33 -0.08 0.12 -0.04 1.87 0.54 2zr8A1 LYS 52 HB3 -0.83 0.04 0.04 -0.04 1.79 1.00 2zr8A1 LYS 52 HG2 -0.22 -0.14 0.16 -0.04 1.46 1.22 2zr8A1 LYS 52 HG3 -0.51 0.26 0.09 -0.04 1.46 1.26 2zr8A1 LYS 52 HD2 -0.21 -0.00 0.05 -0.04 1.69 1.49 2zr8A1 LYS 52 HD3 -0.15 -0.06 0.04 -0.04 1.68 1.47 2zr8A1 LYS 52 HE2 -0.05 -0.03 0.00 -0.04 2.99 2.87 2zr8A1 LYS 52 HE3 -0.05 -0.05 -0.02 -0.04 2.99 2.82 2zr8A1 MET 53 H -0.08 0.20 0.16 -0.55 8.47 8.21 2zr8A1 MET 53 HA 0.09 0.06 0.30 -0.75 4.52 4.22 2zr8A1 MET 53 HB2 0.15 -0.09 0.09 -0.04 2.15 2.27 2zr8A1 MET 53 HB3 0.06 0.08 -0.09 -0.04 2.03 2.05 2zr8A1 MET 53 HG2 0.10 -0.08 -0.20 -0.04 2.63 2.40 2zr8A1 MET 53 HG3 -0.07 0.11 -0.53 -0.04 2.56 2.03 2zr8A1 MET 53 HE3 0.03 -0.07 0.02 -0.04 2.10 2.04 2zr8A1 GLY 54 H 0.01 0.53 -0.43 -0.55 8.43 7.98 2zr8A1 GLY 54 HA2 0.03 0.27 0.20 -0.51 4.01 4.00 2zr8A1 GLY 54 HA3 0.02 -0.06 0.35 -0.51 4.01 3.80 2zr8A1 ALA 55 H 0.03 0.42 -0.23 -0.55 8.40 8.07 2zr8A1 ALA 55 HA 0.07 0.26 0.72 -0.75 4.34 4.63 2zr8A1 ALA 55 HB3 -0.04 -0.05 0.03 -0.04 1.41 1.31 2zr8A1 PHE 56 H 0.29 0.43 0.33 -0.55 8.34 8.83 2zr8A1 PHE 56 HA 0.08 0.17 0.54 -0.75 4.62 4.65 2zr8A1 PHE 56 HB2 0.06 0.07 0.19 -0.04 3.15 3.43 2zr8A1 PHE 56 HB3 0.04 0.08 0.24 -0.04 3.06 3.38 2zr8A1 PHE 56 HD2 0.05 0.13 0.03 -0.04 7.28 7.45 2zr8A1 PHE 56 HE2 0.05 -0.03 -0.01 -0.04 7.38 7.35 2zr8A1 PHE 56 HZ 0.05 -0.12 0.05 -0.04 7.32 7.26 2zr8A1 LYS 57 H -0.59 0.04 -0.29 -0.55 8.42 7.03 2zr8A1 LYS 57 HA -0.31 0.01 0.29 -0.75 4.32 3.56 2zr8A1 LYS 57 HB2 -0.15 0.12 -0.16 -0.04 1.87 1.64 2zr8A1 LYS 57 HB3 -0.04 0.04 -0.10 -0.04 1.79 1.65 2zr8A1 LYS 57 HG2 -0.89 -0.03 0.01 -0.04 1.46 0.51 2zr8A1 LYS 57 HG3 -0.19 -0.22 -0.19 -0.04 1.46 0.82 2zr8A1 LYS 57 HD2 -0.05 0.08 0.07 -0.04 1.69 1.75 2zr8A1 LYS 57 HD3 -0.42 0.03 0.03 -0.04 1.68 1.28 2zr8A1 LYS 57 HE2 -0.05 -0.04 0.06 -0.04 2.99 2.92 2zr8A1 LYS 57 HE3 -0.13 -0.11 0.07 -0.04 2.99 2.78 2zr8A1 PHE 58 H 0.14 0.34 -0.39 -0.55 8.34 7.88 2zr8A1 PHE 58 HA -0.05 0.02 0.37 -0.75 4.62 4.21 2zr8A1 PHE 58 HB2 -0.02 0.17 0.07 -0.04 3.15 3.33 2zr8A1 PHE 58 HB3 0.01 0.00 0.08 -0.04 3.06 3.12 2zr8A1 PHE 58 HD2 -0.03 -0.05 -0.03 -0.04 7.28 7.13 2zr8A1 PHE 58 HE2 -0.04 0.04 -0.31 -0.04 7.38 7.03 2zr8A1 PHE 58 HZ -0.04 0.10 -0.10 -0.04 7.32 7.24 2zr8A1 ARG 59 H 0.14 0.41 -0.15 -0.55 8.46 8.30 2zr8A1 ARG 59 HA -0.05 0.11 0.35 -0.75 4.34 3.99 2zr8A1 ARG 59 HB2 0.15 -0.08 -0.05 -0.04 1.90 1.89 2zr8A1 ARG 59 HB3 0.08 0.17 -0.11 -0.04 1.80 1.90 2zr8A1 ARG 59 HG2 0.14 0.06 0.01 -0.04 1.67 1.84 2zr8A1 ARG 59 HG3 0.19 -0.06 0.12 -0.04 1.67 1.89 2zr8A1 ARG 59 HD2 0.22 -0.05 0.13 -0.04 3.22 3.48 2zr8A1 ARG 59 HD3 0.13 0.00 0.00 -0.04 3.22 3.31 2zr8A1 GLY 60 H 0.07 0.11 -0.18 -0.55 8.43 7.88 2zr8A1 GLY 60 HA2 0.04 0.10 0.51 -0.51 4.01 4.15 2zr8A1 GLY 60 HA3 0.07 0.00 0.33 -0.51 4.01 3.91 2zr8A1 ALA 61 H -0.03 0.45 -0.18 -0.55 8.40 8.10 2zr8A1 ALA 61 HA -0.04 0.01 0.33 -0.75 4.34 3.89 2zr8A1 ALA 61 HB3 -0.16 0.01 -0.12 -0.04 1.41 1.10 2zr8A1 LEU 62 H -0.37 0.60 -0.08 -0.55 8.37 7.97 2zr8A1 LEU 62 HA -0.28 0.06 0.37 -0.75 4.35 3.74 2zr8A1 LEU 62 HB2 -0.91 -0.02 0.10 -0.04 1.64 0.77 2zr8A1 LEU 62 HB3 -0.44 0.04 0.09 -0.04 1.64 1.30 2zr8A1 LEU 62 HG -0.16 0.05 -0.27 -0.04 1.64 1.22 2zr8A1 LEU 62 HD13 -0.28 -0.00 0.02 -0.04 0.93 0.62 2zr8A1 LEU 62 HD23 -0.14 -0.01 0.02 -0.04 0.89 0.72 2zr8A1 ASN 63 H -0.13 0.45 -0.21 -0.55 8.53 8.09 2zr8A1 ASN 63 HA -0.09 0.06 0.31 -0.75 4.76 4.29 2zr8A1 ASN 63 HB2 -0.04 0.07 0.14 -0.04 2.88 3.00 2zr8A1 ASN 63 HB3 -0.01 0.04 0.09 -0.04 2.79 2.86 2zr8A1 ASN 63 HD21 -0.06 -0.04 -0.05 -0.04 7.03 6.83 2zr8A1 ASN 63 HD22 0.03 0.27 0.04 -0.04 7.74 8.04 2zr8A1 ALA 64 H -0.04 0.44 -0.38 -0.55 8.40 7.87 2zr8A1 ALA 64 HA 0.09 -0.02 0.40 -0.75 4.34 4.06 2zr8A1 ALA 64 HB3 -0.03 -0.02 -0.02 -0.04 1.41 1.30 2zr8A1 LEU 65 H -0.09 0.64 0.00 -0.55 8.37 8.38 2zr8A1 LEU 65 HA -0.06 0.01 0.32 -0.75 4.35 3.87 2zr8A1 LEU 65 HB2 -0.13 0.05 -0.00 -0.04 1.64 1.51 2zr8A1 LEU 65 HB3 -0.10 0.04 -0.06 -0.04 1.64 1.49 2zr8A1 LEU 65 HG -0.13 0.09 -0.00 -0.04 1.64 1.56 2zr8A1 LEU 65 HD13 -0.12 -0.01 -0.18 -0.04 0.93 0.58 2zr8A1 LEU 65 HD23 -0.09 -0.03 -0.10 -0.04 0.89 0.63 2zr8A1 SER 66 H -0.10 0.48 -0.37 -0.55 8.46 7.93 2zr8A1 SER 66 HA -0.07 0.07 0.44 -0.75 4.49 4.18 2zr8A1 SER 66 HB2 -0.09 0.09 0.06 -0.04 3.95 3.97 2zr8A1 SER 66 HB3 -0.05 -0.07 0.03 -0.04 3.93 3.79 2zr8A1 GLN 67 H -0.06 0.34 -0.56 -0.55 8.47 7.65 2zr8A1 GLN 67 HA -0.06 0.13 0.70 -0.75 4.36 4.38 2zr8A1 GLN 67 HB2 -0.09 0.08 0.10 -0.04 2.15 2.20 2zr8A1 GLN 67 HB3 -0.10 -0.12 0.16 -0.04 2.02 1.92 2zr8A1 GLN 67 HG2 -0.16 -0.02 -0.08 -0.04 2.40 2.10 2zr8A1 GLN 67 HG3 -0.20 0.32 0.01 -0.04 2.39 2.48 2zr8A1 GLN 67 HE21 -0.65 -0.16 -0.06 -0.04 6.97 6.05 2zr8A1 GLN 67 HE22 -0.35 0.35 -0.05 -0.04 7.69 7.60 2zr8A1 LEU 68 H -0.03 0.43 -0.50 -0.55 8.37 7.73 2zr8A1 LEU 68 HA 0.01 -0.02 0.67 -0.75 4.35 4.25 2zr8A1 LEU 68 HB2 -0.03 0.22 0.09 -0.04 1.64 1.88 2zr8A1 LEU 68 HB3 -0.01 -0.10 -0.05 -0.04 1.64 1.44 2zr8A1 LEU 68 HG -0.02 0.05 0.01 -0.04 1.64 1.64 2zr8A1 LEU 68 HD13 -0.04 0.00 -0.12 -0.04 0.93 0.73 2zr8A1 LEU 68 HD23 0.01 -0.03 -0.12 -0.04 0.89 0.71 2zr8A1 ASN 69 H 0.01 0.03 0.15 -0.55 8.53 8.17 2zr8A1 ASN 69 HA -0.00 0.23 0.54 -0.75 4.76 4.77 2zr8A1 ASN 69 HB2 0.00 -0.06 0.18 -0.04 2.88 2.96 2zr8A1 ASN 69 HB3 0.01 0.11 0.11 -0.04 2.79 2.97 2zr8A1 ASN 69 HD21 0.01 0.02 0.04 -0.04 7.03 7.06 2zr8A1 ASN 69 HD22 0.01 0.09 0.06 -0.04 7.74 7.86 2zr8A1 GLU 70 H -0.00 0.15 0.16 -0.55 8.60 8.36 2zr8A1 GLU 70 HA -0.01 0.19 0.36 -0.75 4.29 4.08 2zr8A1 GLU 70 HB2 -0.00 0.05 0.16 -0.04 2.09 2.26 2zr8A1 GLU 70 HB3 -0.00 -0.08 0.14 -0.04 1.99 2.01 2zr8A1 GLU 70 HG2 -0.00 0.01 -0.17 -0.04 2.34 2.14 2zr8A1 GLU 70 HG3 -0.00 0.08 0.06 -0.04 2.34 2.43 2zr8A1 ALA 71 H -0.00 0.04 -0.13 -0.55 8.40 7.76 2zr8A1 ALA 71 HA -0.00 0.13 0.44 -0.75 4.34 4.15 2zr8A1 ALA 71 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 2zr8A1 GLN 72 H -0.00 -0.00 -0.24 -0.55 8.47 7.68 2zr8A1 GLN 72 HA -0.00 0.09 0.38 -0.75 4.36 4.07 2zr8A1 GLN 72 HB2 -0.00 0.05 0.10 -0.04 2.15 2.25 2zr8A1 GLN 72 HB3 -0.00 0.05 -0.03 -0.04 2.02 1.99 2zr8A1 GLN 72 HG2 0.01 0.05 0.01 -0.04 2.40 2.43 2zr8A1 GLN 72 HG3 0.01 -0.10 0.04 -0.04 2.39 2.30 2zr8A1 GLN 72 HE21 0.03 0.01 0.02 -0.04 6.97 7.00 2zr8A1 GLN 72 HE22 0.02 0.01 0.00 -0.04 7.69 7.68 2zr8A1 ARG 73 H -0.01 0.52 -0.20 -0.55 8.46 8.22 2zr8A1 ARG 73 HA -0.02 0.00 0.33 -0.75 4.34 3.90 2zr8A1 ARG 73 HB2 -0.02 0.02 0.07 -0.04 1.90 1.93 2zr8A1 ARG 73 HB3 -0.03 0.10 -0.06 -0.04 1.80 1.77 2zr8A1 ARG 73 HG2 -0.03 -0.06 -0.06 -0.04 1.67 1.48 2zr8A1 ARG 73 HG3 -0.02 0.16 -0.29 -0.04 1.67 1.48 2zr8A1 ARG 73 HD2 -0.02 -0.09 -0.07 -0.04 3.22 2.99 2zr8A1 ARG 73 HD3 -0.04 0.05 -0.03 -0.04 3.22 3.16 2zr8A1 LYS 74 H -0.01 0.41 -0.12 -0.55 8.42 8.15 2zr8A1 LYS 74 HA -0.01 0.11 0.50 -0.75 4.32 4.17 2zr8A1 LYS 74 HB2 -0.00 0.02 0.17 -0.04 1.87 2.01 2zr8A1 LYS 74 HB3 -0.00 -0.06 0.07 -0.04 1.79 1.76 2zr8A1 LYS 74 HG2 -0.01 0.04 0.07 -0.04 1.46 1.52 2zr8A1 LYS 74 HG3 -0.01 0.11 0.12 -0.04 1.46 1.64 2zr8A1 LYS 74 HD2 -0.00 -0.07 -0.01 -0.04 1.69 1.56 2zr8A1 LYS 74 HD3 -0.00 -0.03 0.03 -0.04 1.68 1.63 2zr8A1 LYS 74 HE2 -0.00 0.04 0.03 -0.04 2.99 3.01 2zr8A1 LYS 74 HE3 -0.00 -0.01 0.02 -0.04 2.99 2.96 2zr8A1 ALA 75 H -0.01 0.36 -0.25 -0.55 8.40 7.96 2zr8A1 ALA 75 HA -0.00 -0.03 0.50 -0.75 4.34 4.05 2zr8A1 ALA 75 HB3 -0.00 0.01 0.16 -0.04 1.41 1.53 2zr8A1 GLY 76 H -0.01 0.27 -0.38 -0.55 8.43 7.76 2zr8A1 GLY 76 HA2 -0.02 0.12 0.45 -0.51 4.01 4.06 2zr8A1 GLY 76 HA3 -0.01 0.06 0.64 -0.51 4.01 4.19 2zr8A1 VAL 77 H -0.02 0.67 0.35 -0.55 8.24 8.69 2zr8A1 VAL 77 HA -0.02 0.13 1.15 -0.75 4.13 4.64 2zr8A1 VAL 77 HB -0.05 -0.03 0.10 -0.04 2.12 2.10 2zr8A1 VAL 77 HG13 -0.04 -0.01 -0.16 -0.04 0.97 0.72 2zr8A1 VAL 77 HG23 -0.06 -0.00 -0.12 -0.04 0.95 0.74 2zr8A1 LEU 78 H -0.01 0.68 0.27 -0.55 8.37 8.76 2zr8A1 LEU 78 HA 0.01 0.33 0.98 -0.75 4.35 4.91 2zr8A1 LEU 78 HB2 0.02 0.09 -0.18 -0.04 1.64 1.53 2zr8A1 LEU 78 HB3 0.03 -0.03 -0.19 -0.04 1.64 1.41 2zr8A1 LEU 78 HG 0.10 -0.12 -0.37 -0.04 1.64 1.20 2zr8A1 LEU 78 HD13 0.05 0.04 -0.08 -0.04 0.93 0.91 2zr8A1 LEU 78 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 2zr8A1 THR 79 H 0.04 0.57 0.34 -0.55 8.28 8.68 2zr8A1 THR 79 HA -0.01 0.04 0.48 -0.75 4.39 4.15 2zr8A1 THR 79 HB -0.08 0.14 -0.18 -0.04 4.32 4.17 2zr8A1 THR 79 HG23 -0.09 -0.01 -0.27 -0.04 1.22 0.81 2zr8A1 PHE 80 H -0.52 0.23 0.18 -0.55 8.34 7.67 2zr8A1 PHE 80 HA 0.06 0.31 0.97 -0.75 4.62 5.21 2zr8A1 PHE 80 HB2 -0.08 -0.03 -0.02 -0.04 3.15 2.98 2zr8A1 PHE 80 HB3 -0.06 0.09 -0.03 -0.04 3.06 3.03 2zr8A1 PHE 80 HD2 -0.06 0.02 -0.13 -0.04 7.28 7.06 2zr8A1 PHE 80 HE2 -0.13 0.03 -0.02 -0.04 7.38 7.22 2zr8A1 PHE 80 HZ -0.14 0.02 0.03 -0.04 7.32 7.20 2zr8A1 SER 81 H 0.26 0.81 0.33 -0.55 8.46 9.31 2zr8A1 SER 81 HA 0.13 0.05 0.69 -0.75 4.49 4.61 2zr8A1 SER 81 HB2 0.13 0.23 -0.15 -0.04 3.95 4.12 2zr8A1 SER 81 HB3 0.09 0.17 -0.23 -0.04 3.93 3.92 2zr8A1 SER 82 H 0.13 0.11 0.21 -0.55 8.46 8.37 2zr8A1 SER 82 HA 0.10 0.19 0.62 -0.75 4.49 4.65 2zr8A1 SER 82 HB2 0.07 0.19 0.24 -0.04 3.95 4.41 2zr8A1 SER 82 HB3 0.11 0.03 0.19 -0.04 3.93 4.22 2zr8A1 GLY 83 H 0.08 -0.15 -0.39 -0.55 8.43 7.42 2zr8A1 GLY 83 HA2 0.04 0.18 0.17 -0.51 4.01 3.88 2zr8A1 GLY 83 HA3 0.04 0.27 0.82 -0.51 4.01 4.63 2zr8A1 ASN 84 H 0.04 0.11 0.04 -0.55 8.53 8.16 2zr8A1 ASN 84 HA 0.02 0.29 0.61 -0.75 4.76 4.92 2zr8A1 ASN 84 HB2 -0.03 -0.07 0.14 -0.04 2.88 2.88 2zr8A1 ASN 84 HB3 -0.09 0.01 0.00 -0.04 2.79 2.67 2zr8A1 ASN 84 HD21 0.03 0.00 -0.00 -0.04 7.03 7.02 2zr8A1 ASN 84 HD22 0.02 -0.05 0.00 -0.04 7.74 7.67 2zr8A1 HIS 85 H 0.09 -0.00 0.05 -0.55 8.41 8.00 2zr8A1 HIS 85 HA -0.08 0.14 0.41 -0.75 4.63 4.34 2zr8A1 HIS 85 HB2 -0.07 -0.03 0.18 -0.04 3.26 3.31 2zr8A1 HIS 85 HB3 -0.07 -0.07 0.05 -0.04 3.20 3.07 2zr8A1 HIS 85 HD2 -0.23 0.02 -0.16 -0.04 6.97 6.56 2zr8A1 HIS 85 HE1 -0.12 0.03 -0.16 -0.04 7.75 7.46 2zr8A1 ALA 86 H 0.05 -0.19 -0.53 -0.55 8.40 7.18 2zr8A1 ALA 86 HA -0.06 0.14 0.16 -0.75 4.34 3.82 2zr8A1 ALA 86 HB3 0.04 0.07 -0.14 -0.04 1.41 1.33 2zr8A1 GLN 87 H 0.03 0.28 -0.27 -0.55 8.47 7.97 2zr8A1 GLN 87 HA 0.19 0.11 0.37 -0.75 4.36 4.27 2zr8A1 GLN 87 HB2 0.07 -0.01 0.20 -0.04 2.15 2.37 2zr8A1 GLN 87 HB3 0.23 0.03 -0.06 -0.04 2.02 2.17 2zr8A1 GLN 87 HG2 0.01 -0.01 -0.09 -0.04 2.40 2.26 2zr8A1 GLN 87 HG3 0.02 0.08 0.08 -0.04 2.39 2.53 2zr8A1 GLN 87 HE21 0.01 -0.08 -0.05 -0.04 6.97 6.81 2zr8A1 GLN 87 HE22 0.02 0.05 -0.08 -0.04 7.69 7.65 2zr8A1 ALA 88 H 0.01 0.47 -0.16 -0.55 8.40 8.18 2zr8A1 ALA 88 HA 0.12 0.05 0.31 -0.75 4.34 4.07 2zr8A1 ALA 88 HB3 0.01 -0.02 -0.16 -0.04 1.41 1.20 2zr8A1 ILE 89 H -0.21 0.65 -0.24 -0.55 8.25 7.89 2zr8A1 ILE 89 HA -0.20 0.02 0.33 -0.75 4.18 3.57 2zr8A1 ILE 89 HB -0.26 0.04 0.01 -0.04 1.89 1.64 2zr8A1 ILE 89 HG12 -1.01 -0.05 -0.03 -0.04 1.49 0.35 2zr8A1 ILE 89 HG13 -0.59 -0.03 -0.13 -0.04 1.21 0.42 2zr8A1 ILE 89 HG23 -0.13 0.02 -0.33 -0.04 0.93 0.45 2zr8A1 ILE 89 HD13 -0.23 0.00 -0.07 -0.04 0.88 0.55 2zr8A1 ALA 90 H -0.03 0.42 -0.26 -0.55 8.40 7.98 2zr8A1 ALA 90 HA -0.02 0.07 0.26 -0.75 4.34 3.90 2zr8A1 ALA 90 HB3 0.15 0.00 0.05 -0.04 1.41 1.57 2zr8A1 LEU 91 H -0.14 0.57 -0.15 -0.55 8.37 8.11 2zr8A1 LEU 91 HA -0.50 0.09 0.44 -0.75 4.35 3.62 2zr8A1 LEU 91 HB2 -1.12 -0.02 0.08 -0.04 1.64 0.53 2zr8A1 LEU 91 HB3 -0.14 0.00 0.11 -0.04 1.64 1.58 2zr8A1 LEU 91 HG -0.08 0.04 -0.23 -0.04 1.64 1.33 2zr8A1 LEU 91 HD13 -0.56 0.01 0.04 -0.04 0.93 0.37 2zr8A1 LEU 91 HD23 -0.48 -0.03 -0.07 -0.04 0.89 0.26 2zr8A1 SER 92 H -0.07 0.58 -0.10 -0.55 8.46 8.32 2zr8A1 SER 92 HA -0.14 -0.00 0.36 -0.75 4.49 3.96 2zr8A1 SER 92 HB2 -0.16 0.07 0.00 -0.04 3.95 3.82 2zr8A1 SER 92 HB3 -0.23 -0.02 -0.10 -0.04 3.93 3.54 2zr8A1 ALA 93 H -0.11 0.63 -0.28 -0.55 8.40 8.10 2zr8A1 ALA 93 HA -0.09 -0.03 0.37 -0.75 4.34 3.84 2zr8A1 ALA 93 HB3 -0.06 0.11 0.01 -0.04 1.41 1.43 2zr8A1 LYS 94 H -0.08 0.53 -0.12 -0.55 8.42 8.19 2zr8A1 LYS 94 HA -0.04 0.03 0.44 -0.75 4.32 4.00 2zr8A1 LYS 94 HB2 -0.02 0.27 0.23 -0.04 1.87 2.30 2zr8A1 LYS 94 HB3 -0.09 0.03 0.23 -0.04 1.79 1.93 2zr8A1 LYS 94 HG2 -0.03 -0.07 -0.15 -0.04 1.46 1.17 2zr8A1 LYS 94 HG3 -0.01 -0.05 0.05 -0.04 1.46 1.41 2zr8A1 LYS 94 HD2 0.02 -0.11 0.00 -0.04 1.69 1.57 2zr8A1 LYS 94 HD3 0.03 0.13 0.03 -0.04 1.68 1.83 2zr8A1 LYS 94 HE2 0.14 -0.05 0.06 -0.04 2.99 3.09 2zr8A1 LYS 94 HE3 0.01 0.11 0.13 -0.04 2.99 3.21 2zr8A1 ILE 95 H -0.13 0.46 -0.15 -0.55 8.25 7.87 2zr8A1 ILE 95 HA -0.09 -0.00 0.40 -0.75 4.18 3.73 2zr8A1 ILE 95 HB -0.29 0.12 0.15 -0.04 1.89 1.83 2zr8A1 ILE 95 HG12 -0.11 -0.05 0.04 -0.04 1.49 1.34 2zr8A1 ILE 95 HG13 -0.13 0.15 0.08 -0.04 1.21 1.26 2zr8A1 ILE 95 HG23 -0.71 -0.02 -0.12 -0.04 0.93 0.04 2zr8A1 ILE 95 HD13 -0.18 -0.05 -0.06 -0.04 0.88 0.55 2zr8A1 LEU 96 H -0.13 0.41 -0.24 -0.55 8.37 7.86 2zr8A1 LEU 96 HA -0.08 0.09 0.66 -0.75 4.35 4.26 2zr8A1 LEU 96 HB2 -0.10 0.02 0.03 -0.04 1.64 1.55 2zr8A1 LEU 96 HB3 -0.07 -0.03 0.09 -0.04 1.64 1.58 2zr8A1 LEU 96 HG -0.21 0.04 -0.03 -0.04 1.64 1.39 2zr8A1 LEU 96 HD13 -0.13 -0.01 -0.19 -0.04 0.93 0.57 2zr8A1 LEU 96 HD23 -0.11 0.00 -0.06 -0.04 0.89 0.68 2zr8A1 GLY 97 H -0.06 0.33 -0.48 -0.55 8.43 7.68 2zr8A1 GLY 97 HA2 -0.03 0.01 0.29 -0.51 4.01 3.77 2zr8A1 GLY 97 HA3 -0.02 -0.05 0.38 -0.51 4.01 3.81 2zr8A1 ILE 98 H -0.05 0.68 -0.03 -0.55 8.25 8.31 2zr8A1 ILE 98 HA -0.03 0.33 0.88 -0.75 4.18 4.61 2zr8A1 ILE 98 HB -0.06 -0.17 0.05 -0.04 1.89 1.68 2zr8A1 ILE 98 HG12 -0.04 0.04 -0.13 -0.04 1.49 1.32 2zr8A1 ILE 98 HG13 -0.06 -0.00 -0.33 -0.04 1.21 0.78 2zr8A1 ILE 98 HG23 -0.04 0.11 -0.01 -0.04 0.93 0.96 2zr8A1 ILE 98 HD13 -0.06 -0.03 -0.07 -0.04 0.88 0.68 2zr8A1 PRO 99 HA -0.01 0.03 0.49 -0.51 4.44 4.44 2zr8A1 PRO 99 HB2 -0.01 0.00 0.08 -0.04 2.28 2.31 2zr8A1 PRO 99 HB3 -0.01 -0.03 0.08 -0.04 2.02 2.02 2zr8A1 PRO 99 HG2 -0.01 0.15 0.08 -0.04 2.03 2.21 2zr8A1 PRO 99 HG3 -0.01 -0.01 0.05 -0.04 2.03 2.02 2zr8A1 PRO 99 HD2 -0.02 0.18 0.28 -0.04 3.68 4.08 2zr8A1 PRO 99 HD3 -0.02 0.30 0.32 -0.04 3.65 4.21 2zr8A1 ALA 100 H -0.01 0.22 0.21 -0.55 8.40 8.28 2zr8A1 ALA 100 HA -0.02 0.33 1.06 -0.75 4.34 4.95 2zr8A1 ALA 100 HB3 -0.03 -0.00 -0.16 -0.04 1.41 1.18 2zr8A1 LYS 101 H -0.00 0.67 0.34 -0.55 8.42 8.87 2zr8A1 LYS 101 HA 0.01 0.17 0.95 -0.75 4.32 4.70 2zr8A1 LYS 101 HB2 0.01 0.06 -0.01 -0.04 1.87 1.89 2zr8A1 LYS 101 HB3 0.02 -0.02 0.15 -0.04 1.79 1.90 2zr8A1 LYS 101 HG2 0.03 -0.05 -0.12 -0.04 1.46 1.27 2zr8A1 LYS 101 HG3 0.04 -0.04 -0.24 -0.04 1.46 1.17 2zr8A1 LYS 101 HD2 0.03 -0.08 -0.14 -0.04 1.69 1.46 2zr8A1 LYS 101 HD3 0.02 0.10 0.02 -0.04 1.68 1.78 2zr8A1 LYS 101 HE2 0.01 -0.01 -0.06 -0.04 2.99 2.89 2zr8A1 LYS 101 HE3 0.01 0.06 -0.07 -0.04 2.99 2.95 2zr8A1 ILE 102 H 0.03 1.00 0.29 -0.55 8.25 9.01 2zr8A1 ILE 102 HA 0.05 0.23 1.12 -0.75 4.18 4.82 2zr8A1 ILE 102 HB 0.03 0.01 -0.15 -0.04 1.89 1.73 2zr8A1 ILE 102 HG12 -0.01 0.00 -0.20 -0.04 1.49 1.24 2zr8A1 ILE 102 HG13 -0.02 0.06 -0.36 -0.04 1.21 0.85 2zr8A1 ILE 102 HG23 0.05 -0.06 -0.31 -0.04 0.93 0.56 2zr8A1 ILE 102 HD13 0.00 -0.06 -0.55 -0.04 0.88 0.23 2zr8A1 ILE 103 H 0.13 0.68 0.40 -0.55 8.25 8.91 2zr8A1 ILE 103 HA 0.14 0.40 0.94 -0.75 4.18 4.91 2zr8A1 ILE 103 HB 0.20 -0.13 0.24 -0.04 1.89 2.15 2zr8A1 ILE 103 HG12 0.09 0.05 -0.14 -0.04 1.49 1.45 2zr8A1 ILE 103 HG13 0.10 0.05 -0.16 -0.04 1.21 1.16 2zr8A1 ILE 103 HG23 0.22 -0.03 -0.23 -0.04 0.93 0.86 2zr8A1 ILE 103 HD13 0.05 -0.02 -0.20 -0.04 0.88 0.67 2zr8A1 MET 104 H 0.14 0.76 0.40 -0.55 8.47 9.23 2zr8A1 MET 104 HA 0.21 0.27 1.11 -0.75 4.52 5.36 2zr8A1 MET 104 HB2 0.02 0.01 -0.06 -0.04 2.15 2.08 2zr8A1 MET 104 HB3 0.01 0.03 -0.02 -0.04 2.03 2.01 2zr8A1 MET 104 HG2 0.08 -0.05 -0.26 -0.04 2.63 2.36 2zr8A1 MET 104 HG3 0.07 0.03 -0.46 -0.04 2.56 2.17 2zr8A1 MET 104 HE3 0.02 -0.01 -0.25 -0.04 2.10 1.82 2zr8A1 PRO 105 HA -1.14 0.17 0.60 -0.51 4.44 3.56 2zr8A1 PRO 105 HB2 -0.26 -0.07 0.06 -0.04 2.28 1.96 2zr8A1 PRO 105 HB3 -0.55 0.01 0.11 -0.04 2.02 1.56 2zr8A1 PRO 105 HG2 -0.09 0.01 0.14 -0.04 2.03 2.06 2zr8A1 PRO 105 HG3 -0.03 0.01 0.17 -0.04 2.03 2.13 2zr8A1 PRO 105 HD2 0.01 0.18 0.32 -0.04 3.68 4.15 2zr8A1 PRO 105 HD3 0.11 0.10 0.15 -0.04 3.65 3.96 2zr8A1 LEU 106 H -0.24 0.54 0.44 -0.55 8.37 8.55 2zr8A1 LEU 106 HA -0.06 0.13 0.43 -0.75 4.35 4.09 2zr8A1 LEU 106 HB2 -0.02 0.06 0.09 -0.04 1.64 1.74 2zr8A1 LEU 106 HB3 -0.04 0.03 0.11 -0.04 1.64 1.69 2zr8A1 LEU 106 HG -0.01 -0.23 0.20 -0.04 1.64 1.56 2zr8A1 LEU 106 HD13 0.02 0.04 -0.25 -0.04 0.93 0.70 2zr8A1 LEU 106 HD23 0.03 0.01 -0.02 -0.04 0.89 0.86 2zr8A1 ASP 107 H -0.04 -0.04 -0.20 -0.55 8.40 7.57 2zr8A1 ASP 107 HA 0.02 0.25 0.76 -0.75 4.63 4.91 2zr8A1 ASP 107 HB2 0.08 0.03 0.17 -0.04 2.71 2.95 2zr8A1 ASP 107 HB3 0.10 -0.02 0.06 -0.04 2.70 2.80 2zr8A1 ALA 108 H -0.03 0.41 -0.53 -0.55 8.40 7.69 2zr8A1 ALA 108 HA 0.02 0.05 0.59 -0.75 4.34 4.25 2zr8A1 ALA 108 HB3 -0.01 0.00 0.07 -0.04 1.41 1.43 2zr8A1 PRO 109 HA 0.03 0.04 0.48 -0.51 4.44 4.48 2zr8A1 PRO 109 HB2 0.03 -0.09 0.08 -0.04 2.28 2.26 2zr8A1 PRO 109 HB3 0.04 -0.09 0.12 -0.04 2.02 2.05 2zr8A1 PRO 109 HG2 0.06 0.06 0.15 -0.04 2.03 2.25 2zr8A1 PRO 109 HG3 0.07 0.07 0.19 -0.04 2.03 2.32 2zr8A1 PRO 109 HD2 0.03 0.14 0.27 -0.04 3.68 4.08 2zr8A1 PRO 109 HD3 0.05 0.19 0.32 -0.04 3.65 4.17 2zr8A1 GLU 110 H 0.00 0.15 0.24 -0.55 8.60 8.45 2zr8A1 GLU 110 HA -0.01 0.17 0.41 -0.75 4.29 4.11 2zr8A1 GLU 110 HB2 -0.01 -0.08 0.12 -0.04 2.09 2.08 2zr8A1 GLU 110 HB3 -0.01 0.08 0.10 -0.04 1.99 2.12 2zr8A1 GLU 110 HG2 -0.01 0.13 0.10 -0.04 2.34 2.53 2zr8A1 GLU 110 HG3 -0.00 -0.07 0.17 -0.04 2.34 2.39 2zr8A1 ALA 111 H -0.00 -0.01 -0.32 -0.55 8.40 7.52 2zr8A1 ALA 111 HA -0.03 0.14 0.38 -0.75 4.34 4.08 2zr8A1 ALA 111 HB3 -0.01 -0.00 -0.06 -0.04 1.41 1.29 2zr8A1 LYS 112 H -0.00 0.25 -0.36 -0.55 8.42 7.75 2zr8A1 LYS 112 HA -0.02 0.10 0.46 -0.75 4.32 4.11 2zr8A1 LYS 112 HB2 0.01 0.19 0.08 -0.04 1.87 2.10 2zr8A1 LYS 112 HB3 0.01 -0.04 -0.00 -0.04 1.79 1.72 2zr8A1 LYS 112 HG2 0.01 0.03 -0.11 -0.04 1.46 1.35 2zr8A1 LYS 112 HG3 0.02 -0.09 -0.06 -0.04 1.46 1.28 2zr8A1 LYS 112 HD2 0.03 0.14 0.09 -0.04 1.69 1.91 2zr8A1 LYS 112 HD3 0.03 -0.25 -0.11 -0.04 1.68 1.31 2zr8A1 LYS 112 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.92 2zr8A1 LYS 112 HE3 0.04 0.17 0.02 -0.04 2.99 3.18 2zr8A1 VAL 113 H -0.01 0.33 -0.16 -0.55 8.24 7.85 2zr8A1 VAL 113 HA -0.01 0.04 0.35 -0.75 4.13 3.76 2zr8A1 VAL 113 HB -0.02 0.04 0.10 -0.04 2.12 2.21 2zr8A1 VAL 113 HG13 -0.01 0.01 -0.13 -0.04 0.97 0.80 2zr8A1 VAL 113 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 2zr8A1 ALA 114 H -0.04 0.59 -0.10 -0.55 8.40 8.30 2zr8A1 ALA 114 HA -0.05 0.06 0.38 -0.75 4.34 3.98 2zr8A1 ALA 114 HB3 -0.05 0.01 0.08 -0.04 1.41 1.41 2zr8A1 ALA 115 H -0.11 0.44 -0.20 -0.55 8.40 7.98 2zr8A1 ALA 115 HA -0.35 0.06 0.42 -0.75 4.34 3.72 2zr8A1 ALA 115 HB3 -0.29 0.01 0.10 -0.04 1.41 1.19 2zr8A1 THR 116 H -0.08 0.40 -0.32 -0.55 8.28 7.73 2zr8A1 THR 116 HA 0.06 0.02 0.35 -0.75 4.39 4.07 2zr8A1 THR 116 HB -0.01 0.16 0.09 -0.04 4.32 4.52 2zr8A1 THR 116 HG23 0.03 0.02 -0.26 -0.04 1.22 0.96 2zr8A1 LYS 117 H -0.05 0.47 -0.10 -0.55 8.42 8.20 2zr8A1 LYS 117 HA -0.00 0.27 0.51 -0.75 4.32 4.35 2zr8A1 LYS 117 HB2 -0.03 0.05 0.14 -0.04 1.87 1.98 2zr8A1 LYS 117 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.76 2zr8A1 LYS 117 HG2 -0.00 0.02 0.08 -0.04 1.46 1.51 2zr8A1 LYS 117 HG3 -0.01 0.07 0.06 -0.04 1.46 1.54 2zr8A1 LYS 117 HD2 -0.02 -0.05 -0.07 -0.04 1.69 1.52 2zr8A1 LYS 117 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 2zr8A1 LYS 117 HE2 -0.00 0.02 0.00 -0.04 2.99 2.97 2zr8A1 LYS 117 HE3 -0.01 -0.05 -0.06 -0.04 2.99 2.83 2zr8A1 GLY 118 H -0.11 0.46 -0.19 -0.55 8.43 8.05 2zr8A1 GLY 118 HA2 -0.04 0.03 0.44 -0.51 4.01 3.94 2zr8A1 GLY 118 HA3 -0.13 -0.02 0.31 -0.51 4.01 3.67 2zr8A1 TYR 119 H -0.06 0.46 -0.21 -0.55 8.29 7.93 2zr8A1 TYR 119 HA -0.01 0.04 0.43 -0.75 4.56 4.26 2zr8A1 TYR 119 HB2 -0.02 0.05 0.06 -0.04 3.06 3.11 2zr8A1 TYR 119 HB3 -0.02 0.01 -0.24 -0.04 2.98 2.69 2zr8A1 TYR 119 HD2 -0.02 0.02 -0.01 -0.04 7.15 7.10 2zr8A1 TYR 119 HE2 -0.03 -0.07 -0.04 -0.04 6.85 6.66 2zr8A1 GLY 120 H 0.06 0.21 -0.78 -0.55 8.43 7.37 2zr8A1 GLY 120 HA2 0.03 0.03 0.23 -0.51 4.01 3.78 2zr8A1 GLY 120 HA3 0.04 0.15 0.71 -0.51 4.01 4.40 2zr8A1 GLY 121 H 0.05 0.43 0.08 -0.55 8.43 8.45 2zr8A1 GLY 121 HA2 0.02 0.23 0.67 -0.51 4.01 4.42 2zr8A1 GLY 121 HA3 0.03 -0.11 0.18 -0.51 4.01 3.60 2zr8A1 GLN 122 H 0.01 0.70 0.39 -0.55 8.47 9.02 2zr8A1 GLN 122 HA 0.01 0.07 0.66 -0.75 4.36 4.35 2zr8A1 GLN 122 HB2 0.01 -0.07 0.27 -0.04 2.15 2.32 2zr8A1 GLN 122 HB3 0.01 -0.02 0.03 -0.04 2.02 2.00 2zr8A1 GLN 122 HG2 0.01 0.01 0.00 -0.04 2.40 2.38 2zr8A1 GLN 122 HG3 0.01 0.14 0.10 -0.04 2.39 2.60 2zr8A1 GLN 122 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.91 2zr8A1 GLN 122 HE22 0.01 0.01 -0.01 -0.04 7.69 7.66 2zr8A1 VAL 123 H 0.01 0.18 0.19 -0.55 8.24 8.08 2zr8A1 VAL 123 HA 0.03 0.35 0.92 -0.75 4.13 4.68 2zr8A1 VAL 123 HB 0.01 -0.01 0.08 -0.04 2.12 2.16 2zr8A1 VAL 123 HG13 0.02 -0.04 -0.20 -0.04 0.97 0.71 2zr8A1 VAL 123 HG23 0.01 0.04 -0.16 -0.04 0.95 0.81 2zr8A1 ILE 124 H 0.06 0.74 0.49 -0.55 8.25 8.99 2zr8A1 ILE 124 HA 0.04 0.13 0.79 -0.75 4.18 4.38 2zr8A1 ILE 124 HB 0.06 -0.03 0.01 -0.04 1.89 1.90 2zr8A1 ILE 124 HG12 0.03 0.04 -0.01 -0.04 1.49 1.50 2zr8A1 ILE 124 HG13 0.03 0.03 -0.41 -0.04 1.21 0.82 2zr8A1 ILE 124 HG23 0.06 -0.01 -0.11 -0.04 0.93 0.83 2zr8A1 ILE 124 HD13 0.03 -0.00 -0.10 -0.04 0.88 0.77 2zr8A1 MET 125 H 0.05 0.16 0.15 -0.55 8.47 8.28 2zr8A1 MET 125 HA 0.07 0.33 1.27 -0.75 4.52 5.43 2zr8A1 MET 125 HB2 0.01 -0.02 0.06 -0.04 2.15 2.16 2zr8A1 MET 125 HB3 -0.04 -0.07 0.09 -0.04 2.03 1.96 2zr8A1 MET 125 HG2 -0.01 0.05 -0.21 -0.04 2.63 2.42 2zr8A1 MET 125 HG3 0.01 -0.02 -0.21 -0.04 2.56 2.31 2zr8A1 MET 125 HE3 -0.02 0.02 -0.09 -0.04 2.10 1.97 2zr8A1 TYR 126 H -0.20 0.46 0.31 -0.55 8.29 8.31 2zr8A1 TYR 126 HA 0.02 0.22 0.75 -0.75 4.56 4.79 2zr8A1 TYR 126 HB2 0.01 -0.06 -0.04 -0.04 3.06 2.92 2zr8A1 TYR 126 HB3 0.01 0.12 -0.29 -0.04 2.98 2.78 2zr8A1 TYR 126 HD2 0.02 0.10 -0.60 -0.04 7.15 6.63 2zr8A1 TYR 126 HE2 0.03 0.13 -0.18 -0.04 6.85 6.78 2zr8A1 ASP 127 H 0.19 0.23 0.13 -0.55 8.40 8.40 2zr8A1 ASP 127 HA 0.03 0.09 0.79 -0.75 4.63 4.79 2zr8A1 ASP 127 HB2 0.08 0.14 0.11 -0.04 2.71 3.01 2zr8A1 ASP 127 HB3 0.12 -0.07 0.25 -0.04 2.70 2.95 2zr8A1 ARG 128 H -0.10 0.15 0.23 -0.55 8.46 8.19 2zr8A1 ARG 128 HA 0.27 0.07 0.32 -0.75 4.34 4.24 2zr8A1 ARG 128 HB2 -0.26 -0.09 0.17 -0.04 1.90 1.69 2zr8A1 ARG 128 HB3 -0.72 0.05 0.08 -0.04 1.80 1.17 2zr8A1 ARG 128 HG2 -0.24 0.09 0.02 -0.04 1.67 1.50 2zr8A1 ARG 128 HG3 -0.03 -0.06 0.05 -0.04 1.67 1.60 2zr8A1 ARG 128 HD2 -0.64 0.09 -0.03 -0.04 3.22 2.59 2zr8A1 ARG 128 HD3 -0.14 -0.01 0.02 -0.04 3.22 3.05 2zr8A1 TYR 129 H 0.20 -0.00 -0.21 -0.55 8.29 7.73 2zr8A1 TYR 129 HA 0.07 0.22 0.77 -0.75 4.56 4.87 2zr8A1 TYR 129 HB2 0.04 -0.01 0.01 -0.04 3.06 3.05 2zr8A1 TYR 129 HB3 0.04 0.10 0.13 -0.04 2.98 3.21 2zr8A1 TYR 129 HD2 0.04 0.05 -0.03 -0.04 7.15 7.16 2zr8A1 TYR 129 HE2 0.03 0.03 -0.05 -0.04 6.85 6.82 2zr8A1 LYS 130 H 0.14 0.08 -0.18 -0.55 8.42 7.91 2zr8A1 LYS 130 HA 0.09 0.25 0.90 -0.75 4.32 4.80 2zr8A1 LYS 130 HB2 0.10 -0.11 0.01 -0.04 1.87 1.82 2zr8A1 LYS 130 HB3 0.07 0.03 0.02 -0.04 1.79 1.87 2zr8A1 LYS 130 HG2 0.08 0.07 0.01 -0.04 1.46 1.58 2zr8A1 LYS 130 HG3 0.13 -0.03 -0.59 -0.04 1.46 0.93 2zr8A1 LYS 130 HD2 0.05 0.02 -0.03 -0.04 1.69 1.69 2zr8A1 LYS 130 HD3 0.05 0.04 -0.05 -0.04 1.68 1.69 2zr8A1 LYS 130 HE2 0.10 -0.06 -0.10 -0.04 2.99 2.90 2zr8A1 LYS 130 HE3 0.09 -0.07 -0.05 -0.04 2.99 2.92 2zr8A1 ASP 131 H 0.13 0.45 0.25 -0.55 8.40 8.68 2zr8A1 ASP 131 HA 0.04 0.18 0.66 -0.75 4.63 4.76 2zr8A1 ASP 131 HB2 0.23 0.02 0.08 -0.04 2.71 2.99 2zr8A1 ASP 131 HB3 0.05 0.01 -0.05 -0.04 2.70 2.67 2zr8A1 ASP 132 H -0.03 0.22 0.09 -0.55 8.40 8.14 2zr8A1 ASP 132 HA -0.08 0.19 0.75 -0.75 4.63 4.73 2zr8A1 ASP 132 HB2 -0.03 0.16 0.09 -0.04 2.71 2.89 2zr8A1 ASP 132 HB3 -0.06 0.01 0.25 -0.04 2.70 2.86 2zr8A1 ARG 133 H -0.30 0.35 -0.04 -0.55 8.46 7.92 2zr8A1 ARG 133 HA -0.39 0.10 0.27 -0.75 4.34 3.57 2zr8A1 ARG 133 HB2 -0.70 0.04 -0.04 -0.04 1.90 1.15 2zr8A1 ARG 133 HB3 -1.32 0.05 -0.05 -0.04 1.80 0.44 2zr8A1 ARG 133 HG2 -0.34 0.02 0.05 -0.04 1.67 1.36 2zr8A1 ARG 133 HG3 -0.63 0.01 -0.17 -0.04 1.67 0.83 2zr8A1 ARG 133 HD2 -0.06 -0.01 -0.14 -0.04 3.22 2.98 2zr8A1 ARG 133 HD3 -0.29 0.05 -0.08 -0.04 3.22 2.86 2zr8A1 GLU 134 H -0.36 0.12 -0.21 -0.55 8.60 7.60 2zr8A1 GLU 134 HA -0.85 0.10 0.47 -0.75 4.29 3.26 2zr8A1 GLU 134 HB2 -0.18 0.05 0.02 -0.04 2.09 1.94 2zr8A1 GLU 134 HB3 -0.25 0.08 0.04 -0.04 1.99 1.81 2zr8A1 GLU 134 HG2 -0.79 -0.05 -0.02 -0.04 2.34 1.44 2zr8A1 GLU 134 HG3 -0.21 -0.00 0.04 -0.04 2.34 2.12 2zr8A1 LYS 135 H -0.17 0.10 -0.21 -0.55 8.42 7.58 2zr8A1 LYS 135 HA -0.08 0.09 0.39 -0.75 4.32 3.97 2zr8A1 LYS 135 HB2 -0.06 -0.02 0.10 -0.04 1.87 1.85 2zr8A1 LYS 135 HB3 -0.08 0.11 0.13 -0.04 1.79 1.92 2zr8A1 LYS 135 HG2 -0.04 0.00 -0.12 -0.04 1.46 1.26 2zr8A1 LYS 135 HG3 -0.04 0.03 0.03 -0.04 1.46 1.44 2zr8A1 LYS 135 HD2 -0.03 0.00 0.02 -0.04 1.69 1.64 2zr8A1 LYS 135 HD3 -0.03 -0.02 -0.02 -0.04 1.68 1.57 2zr8A1 LYS 135 HE2 -0.02 0.00 -0.04 -0.04 2.99 2.89 2zr8A1 LYS 135 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.95 2zr8A1 MET 136 H -0.15 0.32 -0.25 -0.55 8.47 7.83 2zr8A1 MET 136 HA -0.05 0.06 0.35 -0.75 4.52 4.13 2zr8A1 MET 136 HB2 -0.14 0.05 0.07 -0.04 2.15 2.09 2zr8A1 MET 136 HB3 -0.04 0.03 -0.09 -0.04 2.03 1.89 2zr8A1 MET 136 HG2 -0.02 0.04 -0.02 -0.04 2.63 2.59 2zr8A1 MET 136 HG3 -0.07 0.04 -0.04 -0.04 2.56 2.46 2zr8A1 MET 136 HE3 0.05 0.06 -0.13 -0.04 2.10 2.05 2zr8A1 ALA 137 H -0.20 0.45 -0.21 -0.55 8.40 7.89 2zr8A1 ALA 137 HA 0.01 0.04 0.31 -0.75 4.34 3.94 2zr8A1 ALA 137 HB3 -0.05 0.00 0.03 -0.04 1.41 1.35 2zr8A1 LYS 138 H -0.08 0.63 -0.06 -0.55 8.42 8.37 2zr8A1 LYS 138 HA 0.01 0.02 0.35 -0.75 4.32 3.94 2zr8A1 LYS 138 HB2 -0.05 0.09 0.18 -0.04 1.87 2.05 2zr8A1 LYS 138 HB3 -0.02 0.03 -0.03 -0.04 1.79 1.73 2zr8A1 LYS 138 HG2 -0.01 -0.02 0.00 -0.04 1.46 1.39 2zr8A1 LYS 138 HG3 0.01 0.03 0.03 -0.04 1.46 1.49 2zr8A1 LYS 138 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 2zr8A1 LYS 138 HD3 -0.04 0.03 0.03 -0.04 1.68 1.66 2zr8A1 LYS 138 HE2 0.03 -0.00 -0.00 -0.04 2.99 2.97 2zr8A1 LYS 138 HE3 0.04 0.05 0.01 -0.04 2.99 3.05 2zr8A1 GLU 139 H -0.03 0.52 -0.13 -0.55 8.60 8.42 2zr8A1 GLU 139 HA -0.01 0.03 0.39 -0.75 4.29 3.95 2zr8A1 GLU 139 HB2 -0.01 0.03 0.12 -0.04 2.09 2.18 2zr8A1 GLU 139 HB3 -0.01 -0.02 0.02 -0.04 1.99 1.95 2zr8A1 GLU 139 HG2 -0.01 -0.06 0.04 -0.04 2.34 2.27 2zr8A1 GLU 139 HG3 -0.03 0.43 0.15 -0.04 2.34 2.85 2zr8A1 ILE 140 H -0.01 0.58 -0.09 -0.55 8.25 8.19 2zr8A1 ILE 140 HA 0.01 0.01 0.35 -0.75 4.18 3.79 2zr8A1 ILE 140 HB 0.01 0.05 0.11 -0.04 1.89 2.02 2zr8A1 ILE 140 HG12 0.01 -0.04 0.00 -0.04 1.49 1.42 2zr8A1 ILE 140 HG13 0.00 0.12 0.11 -0.04 1.21 1.40 2zr8A1 ILE 140 HG23 0.02 -0.00 -0.19 -0.04 0.93 0.71 2zr8A1 ILE 140 HD13 0.02 -0.04 -0.12 -0.04 0.88 0.70 2zr8A1 SER 141 H 0.01 0.66 -0.10 -0.55 8.46 8.49 2zr8A1 SER 141 HA 0.01 0.04 0.33 -0.75 4.49 4.13 2zr8A1 SER 141 HB2 0.02 0.27 0.03 -0.04 3.95 4.23 2zr8A1 SER 141 HB3 0.03 -0.09 -0.03 -0.04 3.93 3.80 2zr8A1 GLU 142 H 0.01 0.59 -0.15 -0.55 8.60 8.50 2zr8A1 GLU 142 HA 0.01 0.00 0.47 -0.75 4.29 4.02 2zr8A1 GLU 142 HB2 0.00 0.08 0.19 -0.04 2.09 2.32 2zr8A1 GLU 142 HB3 0.00 -0.06 0.02 -0.04 1.99 1.91 2zr8A1 GLU 142 HG2 0.01 -0.06 0.05 -0.04 2.34 2.29 2zr8A1 GLU 142 HG3 0.01 0.28 0.12 -0.04 2.34 2.71 2zr8A1 ARG 143 H 0.01 0.60 -0.10 -0.55 8.46 8.41 2zr8A1 ARG 143 HA 0.00 0.02 0.51 -0.75 4.34 4.12 2zr8A1 ARG 143 HB2 0.00 -0.09 0.08 -0.04 1.90 1.86 2zr8A1 ARG 143 HB3 0.01 0.10 0.14 -0.04 1.80 2.01 2zr8A1 ARG 143 HG2 0.00 0.03 -0.04 -0.04 1.67 1.63 2zr8A1 ARG 143 HG3 0.00 -0.08 0.01 -0.04 1.67 1.56 2zr8A1 ARG 143 HD2 0.01 0.09 -0.14 -0.04 3.22 3.14 2zr8A1 ARG 143 HD3 0.01 -0.04 -0.07 -0.04 3.22 3.07 2zr8A1 GLU 144 H 0.01 0.39 -0.18 -0.55 8.60 8.27 2zr8A1 GLU 144 HA 0.01 0.16 0.90 -0.75 4.29 4.60 2zr8A1 GLU 144 HB2 0.01 0.01 -0.06 -0.04 2.09 2.02 2zr8A1 GLU 144 HB3 0.01 0.03 0.03 -0.04 1.99 2.01 2zr8A1 GLU 144 HG2 0.01 -0.01 -0.07 -0.04 2.34 2.23 2zr8A1 GLU 144 HG3 0.01 -0.04 -0.14 -0.04 2.34 2.12 2zr8A1 GLY 145 H 0.01 0.24 -0.24 -0.55 8.43 7.89 2zr8A1 GLY 145 HA2 0.01 -0.05 0.36 -0.51 4.01 3.82 2zr8A1 GLY 145 HA3 0.01 -0.02 0.41 -0.51 4.01 3.89 2zr8A1 LEU 146 H 0.01 0.31 0.13 -0.55 8.37 8.28 2zr8A1 LEU 146 HA 0.00 0.45 0.77 -0.75 4.35 4.81 2zr8A1 LEU 146 HB2 0.01 -0.22 -0.13 -0.04 1.64 1.26 2zr8A1 LEU 146 HB3 0.01 -0.04 -0.32 -0.04 1.64 1.25 2zr8A1 LEU 146 HG 0.01 -0.01 -0.59 -0.04 1.64 1.02 2zr8A1 LEU 146 HD13 0.01 -0.05 -0.25 -0.04 0.93 0.60 2zr8A1 LEU 146 HD23 0.00 0.08 -0.16 -0.04 0.89 0.78 2zr8A1 THR 147 H -0.00 0.65 0.24 -0.55 8.28 8.62 2zr8A1 THR 147 HA 0.01 0.06 0.72 -0.75 4.39 4.43 2zr8A1 THR 147 HB -0.01 0.08 0.11 -0.04 4.32 4.45 2zr8A1 THR 147 HG23 -0.01 -0.03 -0.19 -0.04 1.22 0.96 2zr8A1 ILE 148 H 0.01 0.14 0.17 -0.55 8.25 8.02 2zr8A1 ILE 148 HA 0.01 0.30 0.72 -0.75 4.18 4.45 2zr8A1 ILE 148 HB 0.05 -0.02 0.13 -0.04 1.89 2.01 2zr8A1 ILE 148 HG12 0.07 0.01 -0.17 -0.04 1.49 1.36 2zr8A1 ILE 148 HG13 0.04 0.13 -0.05 -0.04 1.21 1.29 2zr8A1 ILE 148 HG23 0.13 -0.04 -0.21 -0.04 0.93 0.77 2zr8A1 ILE 148 HD13 0.07 -0.01 -0.17 -0.04 0.88 0.73 2zr8A1 ILE 149 H -0.06 0.66 0.26 -0.55 8.25 8.56 2zr8A1 ILE 149 HA -0.25 0.15 0.84 -0.75 4.18 4.17 2zr8A1 ILE 149 HB -0.08 -0.03 0.11 -0.04 1.89 1.85 2zr8A1 ILE 149 HG12 -0.08 0.10 -0.27 -0.04 1.49 1.20 2zr8A1 ILE 149 HG13 -0.10 0.03 -0.12 -0.04 1.21 0.98 2zr8A1 ILE 149 HG23 -0.12 -0.01 -0.11 -0.04 0.93 0.65 2zr8A1 ILE 149 HD13 -0.15 0.03 -0.21 -0.04 0.88 0.50 2zr8A1 PRO 150 HA -0.66 0.06 0.41 -0.51 4.44 3.74 2zr8A1 PRO 150 HB2 -0.18 -0.15 -0.23 -0.04 2.28 1.68 2zr8A1 PRO 150 HB3 -0.21 -0.06 0.07 -0.04 2.02 1.77 2zr8A1 PRO 150 HG2 0.04 0.15 0.00 -0.04 2.03 2.19 2zr8A1 PRO 150 HG3 0.02 0.05 -0.02 -0.04 2.03 2.04 2zr8A1 PRO 150 HD2 -0.30 0.02 0.08 -0.04 3.68 3.44 2zr8A1 PRO 150 HD3 -0.12 0.56 -0.13 -0.04 3.65 3.92 2zr8A1 PRO 151 HA -1.80 0.18 0.50 -0.51 4.44 2.81 2zr8A1 PRO 151 HB2 -0.16 -0.14 0.16 -0.04 2.28 2.09 2zr8A1 PRO 151 HB3 -0.32 0.15 0.28 -0.04 2.02 2.09 2zr8A1 PRO 151 HG2 -0.98 -0.11 0.09 -0.04 2.03 0.99 2zr8A1 PRO 151 HG3 -0.40 0.08 0.14 -0.04 2.03 1.81 2zr8A1 PRO 151 HD2 -1.10 0.04 0.26 -0.04 3.68 2.84 2zr8A1 PRO 151 HD3 -1.51 0.27 0.31 -0.04 3.65 2.67 2zr8A1 TYR 152 H -0.57 -0.01 -0.34 -0.55 8.29 6.81 2zr8A1 TYR 152 HA -0.07 0.17 0.41 -0.75 4.56 4.32 2zr8A1 TYR 152 HB2 0.04 -0.13 -0.04 -0.04 3.06 2.88 2zr8A1 TYR 152 HB3 -0.01 0.11 0.02 -0.04 2.98 3.06 2zr8A1 TYR 152 HD2 0.01 0.05 -0.18 -0.04 7.15 6.99 2zr8A1 TYR 152 HE2 0.04 0.08 0.01 -0.04 6.85 6.94 2zr8A1 ASP 153 H -0.37 0.08 0.05 -0.55 8.40 7.62 2zr8A1 ASP 153 HA 0.24 0.05 0.56 -0.75 4.63 4.72 2zr8A1 ASP 153 HB2 0.25 -0.02 0.18 -0.04 2.71 3.08 2zr8A1 ASP 153 HB3 0.11 0.14 0.28 -0.04 2.70 3.19 2zr8A1 HIS 154 H 0.02 0.54 -0.03 -0.55 8.41 8.39 2zr8A1 HIS 154 HA -0.44 0.24 0.65 -0.75 4.63 4.33 2zr8A1 HIS 154 HB2 -0.14 0.11 -0.23 -0.04 3.26 2.96 2zr8A1 HIS 154 HB3 -0.13 -0.09 -0.12 -0.04 3.20 2.81 2zr8A1 HIS 154 HD2 -0.12 0.07 0.09 -0.04 6.97 6.96 2zr8A1 HIS 154 HE1 -0.28 0.13 0.00 -0.04 7.75 7.57 2zr8A1 PRO 155 HA -0.23 0.04 0.42 -0.51 4.44 4.16 2zr8A1 PRO 155 HB2 -0.25 0.08 -0.01 -0.04 2.28 2.06 2zr8A1 PRO 155 HB3 -0.34 0.14 0.12 -0.04 2.02 1.91 2zr8A1 PRO 155 HG2 -1.07 -0.03 0.12 -0.04 2.03 1.01 2zr8A1 PRO 155 HG3 -0.59 0.17 0.09 -0.04 2.03 1.66 2zr8A1 PRO 155 HD2 -1.32 0.14 0.24 -0.04 3.68 2.70 2zr8A1 PRO 155 HD3 -1.71 0.17 0.15 -0.04 3.65 2.22 2zr8A1 HIS 156 H -0.40 0.18 -0.13 -0.55 8.41 7.51 2zr8A1 HIS 156 HA -0.00 0.12 0.35 -0.75 4.63 4.35 2zr8A1 HIS 156 HB2 0.28 -0.04 -0.00 -0.04 3.26 3.45 2zr8A1 HIS 156 HB3 0.06 0.11 -0.20 -0.04 3.20 3.12 2zr8A1 HIS 156 HD2 -0.05 -0.08 -0.15 -0.04 6.97 6.65 2zr8A1 HIS 156 HE1 0.02 0.07 0.01 -0.04 7.75 7.80 2zr8A1 VAL 157 H 0.36 0.06 -0.30 -0.55 8.24 7.80 2zr8A1 VAL 157 HA 0.08 0.19 0.40 -0.75 4.13 4.04 2zr8A1 VAL 157 HB 0.06 -0.00 -0.01 -0.04 2.12 2.12 2zr8A1 VAL 157 HG13 -0.04 -0.05 -0.33 -0.04 0.97 0.51 2zr8A1 VAL 157 HG23 -0.08 0.09 -0.13 -0.04 0.95 0.80 2zr8A1 LEU 158 H 0.06 0.59 -0.01 -0.55 8.37 8.46 2zr8A1 LEU 158 HA 0.11 -0.08 0.41 -0.75 4.35 4.04 2zr8A1 LEU 158 HB2 0.09 -0.01 0.14 -0.04 1.64 1.82 2zr8A1 LEU 158 HB3 0.09 0.03 0.16 -0.04 1.64 1.88 2zr8A1 LEU 158 HG 0.00 0.14 0.04 -0.04 1.64 1.79 2zr8A1 LEU 158 HD13 0.06 0.01 -0.40 -0.04 0.93 0.56 2zr8A1 LEU 158 HD23 0.08 -0.03 -0.18 -0.04 0.89 0.72 2zr8A1 ALA 159 H 0.06 0.54 -0.26 -0.55 8.40 8.19 2zr8A1 ALA 159 HA 0.04 0.01 0.32 -0.75 4.34 3.96 2zr8A1 ALA 159 HB3 0.03 0.02 -0.10 -0.04 1.41 1.32 2zr8A1 GLY 160 H 0.07 0.48 -0.32 -0.55 8.43 8.11 2zr8A1 GLY 160 HA2 0.03 0.08 0.30 -0.51 4.01 3.92 2zr8A1 GLY 160 HA3 0.05 0.10 0.10 -0.51 4.01 3.75 2zr8A1 GLN 161 H 0.12 0.45 -0.14 -0.55 8.47 8.36 2zr8A1 GLN 161 HA 0.24 -0.02 0.33 -0.75 4.36 4.17 2zr8A1 GLN 161 HB2 0.12 0.18 -0.04 -0.04 2.15 2.37 2zr8A1 GLN 161 HB3 0.26 -0.17 0.02 -0.04 2.02 2.10 2zr8A1 GLN 161 HG2 0.16 0.47 0.13 -0.04 2.40 3.12 2zr8A1 GLN 161 HG3 0.26 -0.26 -0.24 -0.04 2.39 2.11 2zr8A1 GLN 161 HE21 0.05 -0.03 0.03 -0.04 6.97 6.98 2zr8A1 GLN 161 HE22 0.20 -0.05 -0.03 -0.04 7.69 7.77 2zr8A1 GLY 162 H 0.09 0.44 -0.53 -0.55 8.43 7.88 2zr8A1 GLY 162 HA2 0.08 -0.08 0.05 -0.51 4.01 3.56 2zr8A1 GLY 162 HA3 0.10 0.19 0.15 -0.51 4.01 3.94 2zr8A1 THR 163 H 0.09 0.62 -0.47 -0.55 8.28 7.96 2zr8A1 THR 163 HA 0.11 0.06 0.40 -0.75 4.39 4.21 2zr8A1 THR 163 HB 0.07 -0.02 0.03 -0.04 4.32 4.36 2zr8A1 THR 163 HG23 0.04 0.04 -0.04 -0.04 1.22 1.22 2zr8A1 ALA 164 H 0.08 0.39 -0.21 -0.55 8.40 8.11 2zr8A1 ALA 164 HA 0.05 0.13 0.47 -0.75 4.34 4.24 2zr8A1 ALA 164 HB3 0.04 -0.01 0.09 -0.04 1.41 1.48 2zr8A1 ALA 165 H 0.04 0.17 -0.12 -0.55 8.40 7.94 2zr8A1 ALA 165 HA -0.14 0.04 0.37 -0.75 4.34 3.85 2zr8A1 ALA 165 HB3 0.11 0.04 0.07 -0.04 1.41 1.58 2zr8A1 LYS 166 H 0.14 0.35 -0.32 -0.55 8.42 8.04 2zr8A1 LYS 166 HA 0.20 0.04 0.34 -0.75 4.32 4.15 2zr8A1 LYS 166 HB2 0.38 -0.00 0.04 -0.04 1.87 2.24 2zr8A1 LYS 166 HB3 0.16 0.10 0.12 -0.04 1.79 2.12 2zr8A1 LYS 166 HG2 0.15 0.04 -0.29 -0.04 1.46 1.32 2zr8A1 LYS 166 HG3 0.55 -0.02 -0.03 -0.04 1.46 1.92 2zr8A1 LYS 166 HD2 0.29 -0.06 -0.15 -0.04 1.69 1.74 2zr8A1 LYS 166 HD3 0.15 0.02 -0.06 -0.04 1.68 1.74 2zr8A1 LYS 166 HE2 0.45 -0.00 -0.05 -0.04 2.99 3.35 2zr8A1 LYS 166 HE3 0.13 -0.03 -0.01 -0.04 2.99 3.04 2zr8A1 GLU 167 H 0.02 0.44 -0.27 -0.55 8.60 8.25 2zr8A1 GLU 167 HA -0.04 0.04 0.40 -0.75 4.29 3.94 2zr8A1 GLU 167 HB2 0.00 0.09 0.16 -0.04 2.09 2.30 2zr8A1 GLU 167 HB3 -0.01 0.01 -0.04 -0.04 1.99 1.92 2zr8A1 GLU 167 HG2 0.02 -0.01 0.01 -0.04 2.34 2.32 2zr8A1 GLU 167 HG3 0.04 0.03 0.05 -0.04 2.34 2.43 2zr8A1 LEU 168 H -0.12 0.36 -0.27 -0.55 8.37 7.79 2zr8A1 LEU 168 HA -0.15 0.04 0.33 -0.75 4.35 3.81 2zr8A1 LEU 168 HB2 -0.18 -0.06 0.03 -0.04 1.64 1.39 2zr8A1 LEU 168 HB3 -0.42 0.09 0.13 -0.04 1.64 1.39 2zr8A1 LEU 168 HG -0.48 0.10 -0.30 -0.04 1.64 0.93 2zr8A1 LEU 168 HD13 -0.12 -0.01 -0.11 -0.04 0.93 0.65 2zr8A1 LEU 168 HD23 -0.26 -0.04 -0.09 -0.04 0.89 0.46 2zr8A1 PHE 169 H -0.29 0.54 -0.15 -0.55 8.34 7.89 2zr8A1 PHE 169 HA -0.21 0.23 0.35 -0.75 4.62 4.23 2zr8A1 PHE 169 HB2 -0.82 0.05 0.05 -0.04 3.15 2.39 2zr8A1 PHE 169 HB3 -0.37 -0.01 -0.15 -0.04 3.06 2.49 2zr8A1 PHE 169 HD2 -0.05 0.14 -0.24 -0.04 7.28 7.10 2zr8A1 PHE 169 HE2 0.02 -0.08 -0.14 -0.04 7.38 7.14 2zr8A1 PHE 169 HZ 0.00 -0.03 -0.11 -0.04 7.32 7.15 2zr8A1 GLU 170 H -0.31 0.50 -0.16 -0.55 8.60 8.08 2zr8A1 GLU 170 HA -0.14 0.03 0.40 -0.75 4.29 3.83 2zr8A1 GLU 170 HB2 -0.10 0.06 0.08 -0.04 2.09 2.09 2zr8A1 GLU 170 HB3 -0.04 -0.05 0.03 -0.04 1.99 1.89 2zr8A1 GLU 170 HG2 -0.10 -0.06 0.01 -0.04 2.34 2.15 2zr8A1 GLU 170 HG3 -0.50 0.33 0.11 -0.04 2.34 2.24 2zr8A1 GLU 171 H -0.12 0.36 -0.40 -0.55 8.60 7.88 2zr8A1 GLU 171 HA -0.05 0.08 0.65 -0.75 4.29 4.22 2zr8A1 GLU 171 HB2 -0.04 -0.06 0.04 -0.04 2.09 1.99 2zr8A1 GLU 171 HB3 -0.09 0.13 0.12 -0.04 1.99 2.11 2zr8A1 GLU 171 HG2 -0.07 -0.01 -0.22 -0.04 2.34 2.00 2zr8A1 GLU 171 HG3 -0.04 -0.02 -0.01 -0.04 2.34 2.24 2zr8A1 VAL 172 H -0.17 0.37 -0.06 -0.55 8.24 7.83 2zr8A1 VAL 172 HA -0.19 0.17 0.97 -0.75 4.13 4.33 2zr8A1 VAL 172 HB -0.96 -0.07 0.06 -0.04 2.12 1.12 2zr8A1 VAL 172 HG13 -0.31 -0.03 -0.22 -0.04 0.97 0.36 2zr8A1 VAL 172 HG23 -0.50 0.14 -0.16 -0.04 0.95 0.39 2zr8A1 GLY 173 H -0.08 0.48 0.02 -0.55 8.43 8.31 2zr8A1 GLY 173 HA2 0.01 0.02 0.34 -0.51 4.01 3.88 2zr8A1 GLY 173 HA3 -0.03 0.06 0.53 -0.51 4.01 4.07 2zr8A1 PRO 174 HA 0.13 -0.03 0.35 -0.51 4.44 4.37 2zr8A1 PRO 174 HB2 0.02 -0.02 -0.00 -0.04 2.28 2.24 2zr8A1 PRO 174 HB3 -0.02 0.00 0.11 -0.04 2.02 2.08 2zr8A1 PRO 174 HG2 -0.01 -0.02 0.11 -0.04 2.03 2.07 2zr8A1 PRO 174 HG3 -0.01 0.24 0.13 -0.04 2.03 2.35 2zr8A1 PRO 174 HD2 0.01 0.08 0.19 -0.04 3.68 3.93 2zr8A1 PRO 174 HD3 0.02 0.08 0.22 -0.04 3.65 3.92 2zr8A1 LEU 175 H 0.22 0.12 0.15 -0.55 8.37 8.32 2zr8A1 LEU 175 HA 0.10 0.20 0.85 -0.75 4.35 4.75 2zr8A1 LEU 175 HB2 0.25 -0.08 -0.07 -0.04 1.64 1.69 2zr8A1 LEU 175 HB3 0.13 0.03 0.08 -0.04 1.64 1.84 2zr8A1 LEU 175 HG 0.08 0.17 -0.36 -0.04 1.64 1.49 2zr8A1 LEU 175 HD13 -0.15 -0.05 -0.14 -0.04 0.93 0.55 2zr8A1 LEU 175 HD23 -0.03 0.04 -0.27 -0.04 0.89 0.59 2zr8A1 ASP 176 H 0.12 0.70 0.41 -0.55 8.40 9.08 2zr8A1 ASP 176 HA 0.05 0.16 0.75 -0.75 4.63 4.84 2zr8A1 ASP 176 HB2 0.11 0.02 0.17 -0.04 2.71 2.97 2zr8A1 ASP 176 HB3 0.08 0.05 0.11 -0.04 2.70 2.89 2zr8A1 ALA 177 H 0.13 0.31 0.26 -0.55 8.40 8.56 2zr8A1 ALA 177 HA -0.04 0.23 0.78 -0.75 4.34 4.56 2zr8A1 ALA 177 HB3 0.22 0.01 -0.08 -0.04 1.41 1.52 2zr8A1 LEU 178 H -0.15 0.75 0.32 -0.55 8.37 8.75 2zr8A1 LEU 178 HA 0.14 0.21 1.02 -0.75 4.35 4.96 2zr8A1 LEU 178 HB2 0.10 0.05 -0.13 -0.04 1.64 1.62 2zr8A1 LEU 178 HB3 0.02 -0.00 0.09 -0.04 1.64 1.70 2zr8A1 LEU 178 HG 0.02 -0.05 -0.36 -0.04 1.64 1.21 2zr8A1 LEU 178 HD13 -0.09 0.03 -0.09 -0.04 0.93 0.73 2zr8A1 LEU 178 HD23 0.08 -0.02 -0.13 -0.04 0.89 0.78 2zr8A1 PHE 179 H 0.40 0.67 0.31 -0.55 8.34 9.16 2zr8A1 PHE 179 HA 0.13 0.24 0.97 -0.75 4.62 5.21 2zr8A1 PHE 179 HB2 0.08 -0.06 0.12 -0.04 3.15 3.25 2zr8A1 PHE 179 HB3 0.08 -0.09 0.00 -0.04 3.06 3.01 2zr8A1 PHE 179 HD2 0.06 0.03 -0.13 -0.04 7.28 7.20 2zr8A1 PHE 179 HE2 -0.01 0.03 -0.26 -0.04 7.38 7.10 2zr8A1 PHE 179 HZ 0.00 0.10 -0.18 -0.04 7.32 7.20 2zr8A1 VAL 180 H 0.09 0.78 0.33 -0.55 8.24 8.89 2zr8A1 VAL 180 HA 0.04 0.06 0.98 -0.75 4.13 4.45 2zr8A1 VAL 180 HB -0.01 0.04 -0.01 -0.04 2.12 2.10 2zr8A1 VAL 180 HG13 -0.08 0.03 -0.14 -0.04 0.97 0.74 2zr8A1 VAL 180 HG23 -0.00 0.04 -0.33 -0.04 0.95 0.63 2zr8A1 CYS 181 H -0.00 0.10 0.19 -0.55 8.50 8.23 2zr8A1 CYS 181 HA 0.05 0.18 0.59 -0.75 4.58 4.64 2zr8A1 CYS 181 HB2 0.02 -0.11 0.09 -0.04 2.97 2.93 2zr8A1 CYS 181 HB3 0.06 0.07 0.12 -0.04 2.97 3.18 2zr8A1 LEU 182 H 0.03 0.64 0.35 -0.55 8.37 8.84 2zr8A1 LEU 182 HA -0.01 -0.06 1.08 -0.75 4.35 4.61 2zr8A1 LEU 182 HB2 -0.00 0.02 -0.16 -0.04 1.64 1.45 2zr8A1 LEU 182 HB3 0.00 0.11 -0.12 -0.04 1.64 1.59 2zr8A1 LEU 182 HG -0.02 0.13 -0.37 -0.04 1.64 1.34 2zr8A1 LEU 182 HD13 -0.01 -0.07 -0.16 -0.04 0.93 0.65 2zr8A1 LEU 182 HD23 0.01 0.02 -0.18 -0.04 0.89 0.69 2zr8A1 GLY 183 H -0.03 -0.12 0.06 -0.55 8.43 7.80 2zr8A1 GLY 183 HA2 -0.04 0.33 0.96 -0.51 4.01 4.75 2zr8A1 GLY 183 HA3 -0.04 0.02 0.52 -0.51 4.01 4.00 2zr8A1 GLY 184 H -0.38 0.10 0.20 -0.55 8.43 7.81 2zr8A1 GLY 184 HA2 -0.63 0.31 0.52 -0.51 4.01 3.70 2zr8A1 GLY 184 HA3 -2.32 -0.01 0.34 -0.51 4.01 1.51 2zr8A1 GLY 185 H -0.16 -0.11 -0.08 -0.55 8.43 7.53 2zr8A1 GLY 185 HA2 -0.01 0.07 0.22 -0.51 4.01 3.78 2zr8A1 GLY 185 HA3 0.01 0.32 0.76 -0.51 4.01 4.58 2zr8A1 GLY 186 H 0.05 -0.00 0.00 -0.55 8.43 7.94 2zr8A1 GLY 186 HA2 0.13 0.20 0.46 -0.51 4.01 4.29 2zr8A1 GLY 186 HA3 0.18 0.10 0.37 -0.51 4.01 4.15 2zr8A1 LEU 187 H 0.10 -0.03 0.01 -0.55 8.37 7.90 2zr8A1 LEU 187 HA -0.05 0.15 0.39 -0.75 4.35 4.08 2zr8A1 LEU 187 HB2 -0.76 -0.03 0.11 -0.04 1.64 0.92 2zr8A1 LEU 187 HB3 -0.18 -0.04 0.13 -0.04 1.64 1.51 2zr8A1 LEU 187 HG -0.24 0.09 -0.30 -0.04 1.64 1.15 2zr8A1 LEU 187 HD13 -0.58 0.01 0.02 -0.04 0.93 0.34 2zr8A1 LEU 187 HD23 -0.62 0.01 0.04 -0.04 0.89 0.28 2zr8A1 LEU 188 H -0.02 -0.09 -0.26 -0.55 8.37 7.46 2zr8A1 LEU 188 HA -0.02 0.12 0.31 -0.75 4.35 4.00 2zr8A1 LEU 188 HB2 -0.02 0.02 -0.03 -0.04 1.64 1.57 2zr8A1 LEU 188 HB3 0.01 -0.08 0.00 -0.04 1.64 1.53 2zr8A1 LEU 188 HG 0.00 0.08 -0.33 -0.04 1.64 1.35 2zr8A1 LEU 188 HD13 -0.03 0.02 -0.20 -0.04 0.93 0.68 2zr8A1 LEU 188 HD23 -0.02 -0.00 -0.12 -0.04 0.89 0.71 2zr8A1 SER 189 H 0.04 0.49 -0.17 -0.55 8.46 8.28 2zr8A1 SER 189 HA 0.05 0.10 0.29 -0.75 4.49 4.18 2zr8A1 SER 189 HB2 0.08 0.03 -0.00 -0.04 3.95 4.02 2zr8A1 SER 189 HB3 0.08 0.01 0.16 -0.04 3.93 4.13 2zr8A1 GLY 190 H 0.06 0.48 -0.15 -0.55 8.43 8.27 2zr8A1 GLY 190 HA2 0.08 0.03 0.30 -0.51 4.01 3.90 2zr8A1 GLY 190 HA3 0.07 0.16 0.31 -0.51 4.01 4.05 2zr8A1 SER 191 H 0.03 0.54 -0.24 -0.55 8.46 8.25 2zr8A1 SER 191 HA 0.11 -0.02 0.44 -0.75 4.49 4.27 2zr8A1 SER 191 HB2 0.02 0.09 0.08 -0.04 3.95 4.10 2zr8A1 SER 191 HB3 0.05 -0.02 -0.04 -0.04 3.93 3.89 2zr8A1 ALA 192 H 0.05 0.57 -0.25 -0.55 8.40 8.22 2zr8A1 ALA 192 HA 0.05 0.05 0.36 -0.75 4.34 4.04 2zr8A1 ALA 192 HB3 0.02 0.04 -0.05 -0.04 1.41 1.39 2zr8A1 LEU 193 H 0.09 0.40 -0.30 -0.55 8.37 8.01 2zr8A1 LEU 193 HA 0.08 0.07 0.38 -0.75 4.35 4.12 2zr8A1 LEU 193 HB2 0.13 0.17 0.08 -0.04 1.64 1.98 2zr8A1 LEU 193 HB3 0.16 -0.15 -0.15 -0.04 1.64 1.45 2zr8A1 LEU 193 HG 0.07 0.20 -0.05 -0.04 1.64 1.81 2zr8A1 LEU 193 HD13 0.06 -0.03 -0.33 -0.04 0.93 0.58 2zr8A1 LEU 193 HD23 0.06 -0.02 -0.07 -0.04 0.89 0.82 2zr8A1 ALA 194 H 0.20 0.37 -0.20 -0.55 8.40 8.23 2zr8A1 ALA 194 HA 0.34 0.00 0.41 -0.75 4.34 4.34 2zr8A1 ALA 194 HB3 0.41 0.03 0.03 -0.04 1.41 1.84 2zr8A1 ALA 195 H 0.18 0.58 -0.14 -0.55 8.40 8.47 2zr8A1 ALA 195 HA -0.50 -0.02 0.32 -0.75 4.34 3.38 2zr8A1 ALA 195 HB3 0.11 0.03 -0.00 -0.04 1.41 1.51 2zr8A1 ARG 196 H -0.02 0.54 -0.19 -0.55 8.46 8.23 2zr8A1 ARG 196 HA -0.10 0.09 0.27 -0.75 4.34 3.84 2zr8A1 ARG 196 HB2 -0.01 0.01 0.10 -0.04 1.90 1.96 2zr8A1 ARG 196 HB3 -0.04 -0.06 0.04 -0.04 1.80 1.70 2zr8A1 ARG 196 HG2 -0.02 0.09 0.10 -0.04 1.67 1.80 2zr8A1 ARG 196 HG3 -0.01 -0.10 0.03 -0.04 1.67 1.55 2zr8A1 ARG 196 HD2 -0.03 -0.06 0.07 -0.04 3.22 3.16 2zr8A1 ARG 196 HD3 -0.06 0.00 0.11 -0.04 3.22 3.24 2zr8A1 HIS 197 H -0.13 0.22 -0.59 -0.55 8.41 7.37 2zr8A1 HIS 197 HA -0.35 0.06 0.57 -0.75 4.63 4.15 2zr8A1 HIS 197 HB2 -0.70 -0.07 0.09 -0.04 3.26 2.54 2zr8A1 HIS 197 HB3 -0.99 0.09 0.19 -0.04 3.20 2.45 2zr8A1 HIS 197 HD2 -2.49 0.01 -0.10 -0.04 6.97 4.34 2zr8A1 HIS 197 HE1 -0.21 -0.03 -0.03 -0.04 7.75 7.44 2zr8A1 PHE 198 H -0.31 0.55 0.10 -0.55 8.34 8.12 2zr8A1 PHE 198 HA -0.38 0.05 0.45 -0.75 4.62 3.99 2zr8A1 PHE 198 HB2 -0.92 0.03 0.03 -0.04 3.15 2.25 2zr8A1 PHE 198 HB3 -0.36 -0.01 -0.07 -0.04 3.06 2.58 2zr8A1 PHE 198 HD2 -0.04 0.09 -0.02 -0.04 7.28 7.27 2zr8A1 PHE 198 HE2 0.19 -0.05 -0.02 -0.04 7.38 7.46 2zr8A1 PHE 198 HZ 0.23 -0.04 -0.03 -0.04 7.32 7.44 2zr8A1 ALA 199 H -0.38 0.69 -0.20 -0.55 8.40 7.97 2zr8A1 ALA 199 HA -0.16 0.13 0.67 -0.75 4.34 4.23 2zr8A1 ALA 199 HB3 -0.21 -0.01 0.07 -0.04 1.41 1.22 2zr8A1 PRO 200 HA -0.11 0.03 0.43 -0.51 4.44 4.29 2zr8A1 PRO 200 HB2 -0.08 -0.05 0.04 -0.04 2.28 2.16 2zr8A1 PRO 200 HB3 -0.12 0.19 0.20 -0.04 2.02 2.25 2zr8A1 PRO 200 HG2 -0.09 -0.05 0.00 -0.04 2.03 1.85 2zr8A1 PRO 200 HG3 -0.12 0.01 0.04 -0.04 2.03 1.92 2zr8A1 PRO 200 HD2 -0.15 0.08 0.01 -0.04 3.68 3.59 2zr8A1 PRO 200 HD3 -0.21 0.34 -0.16 -0.04 3.65 3.59 2zr8A1 ASN 201 H -0.08 0.02 -0.61 -0.55 8.53 7.32 2zr8A1 ASN 201 HA -0.05 0.22 0.86 -0.75 4.76 5.03 2zr8A1 ASN 201 HB2 -0.04 -0.02 -0.00 -0.04 2.88 2.78 2zr8A1 ASN 201 HB3 -0.03 -0.01 0.13 -0.04 2.79 2.84 2zr8A1 ASN 201 HD21 -0.04 -0.02 -0.07 -0.04 7.03 6.86 2zr8A1 ASN 201 HD22 -0.05 0.01 -0.05 -0.04 7.74 7.60 2zr8A1 CYS 202 H -0.07 0.67 -0.11 -0.55 8.50 8.44 2zr8A1 CYS 202 HA -0.01 0.16 0.46 -0.75 4.58 4.44 2zr8A1 CYS 202 HB2 -0.04 0.14 0.02 -0.04 2.97 3.06 2zr8A1 CYS 202 HB3 0.03 -0.13 -0.30 -0.04 2.97 2.53 2zr8A1 GLU 203 H -0.09 0.53 0.19 -0.55 8.60 8.68 2zr8A1 GLU 203 HA -0.25 0.11 0.62 -0.75 4.29 4.02 2zr8A1 GLU 203 HB2 -0.25 -0.01 0.33 -0.04 2.09 2.11 2zr8A1 GLU 203 HB3 -0.77 -0.09 0.00 -0.04 1.99 1.09 2zr8A1 GLU 203 HG2 -0.07 0.16 0.10 -0.04 2.34 2.49 2zr8A1 GLU 203 HG3 -0.01 -0.03 0.06 -0.04 2.34 2.31 2zr8A1 VAL 204 H -0.29 0.23 0.19 -0.55 8.24 7.82 2zr8A1 VAL 204 HA -0.25 0.17 1.03 -0.75 4.13 4.32 2zr8A1 VAL 204 HB -0.12 0.01 0.28 -0.04 2.12 2.25 2zr8A1 VAL 204 HG13 -0.05 -0.04 -0.16 -0.04 0.97 0.67 2zr8A1 VAL 204 HG23 -0.04 0.06 -0.12 -0.04 0.95 0.81 2zr8A1 TYR 205 H -0.26 0.79 0.36 -0.55 8.29 8.63 2zr8A1 TYR 205 HA -0.22 0.31 1.17 -0.75 4.56 5.06 2zr8A1 TYR 205 HB2 -0.73 -0.06 0.08 -0.04 3.06 2.30 2zr8A1 TYR 205 HB3 -0.29 0.00 -0.10 -0.04 2.98 2.55 2zr8A1 TYR 205 HD2 -0.89 -0.01 -0.18 -0.04 7.15 6.03 2zr8A1 TYR 205 HE2 -0.14 0.05 -0.17 -0.04 6.85 6.55 2zr8A1 GLY 206 H -0.06 0.67 0.43 -0.55 8.43 8.92 2zr8A1 GLY 206 HA2 -0.00 0.20 0.85 -0.51 4.01 4.54 2zr8A1 GLY 206 HA3 -0.04 -0.05 0.30 -0.51 4.01 3.71 2zr8A1 VAL 207 H 0.03 0.32 0.25 -0.55 8.24 8.28 2zr8A1 VAL 207 HA 0.02 0.31 0.98 -0.75 4.13 4.69 2zr8A1 VAL 207 HB 0.08 -0.21 -0.19 -0.04 2.12 1.76 2zr8A1 VAL 207 HG13 0.05 0.06 -0.37 -0.04 0.97 0.67 2zr8A1 VAL 207 HG23 0.16 0.04 -0.36 -0.04 0.95 0.76 2zr8A1 GLU 208 H 0.01 0.83 0.35 -0.55 8.60 9.25 2zr8A1 GLU 208 HA 0.02 0.15 1.09 -0.75 4.29 4.80 2zr8A1 GLU 208 HB2 0.01 -0.04 -0.04 -0.04 2.09 1.98 2zr8A1 GLU 208 HB3 0.01 0.28 0.16 -0.04 1.99 2.40 2zr8A1 GLU 208 HG2 0.00 0.18 0.01 -0.04 2.34 2.50 2zr8A1 GLU 208 HG3 0.00 -0.09 -0.21 -0.04 2.34 2.01 2zr8A1 PRO 209 HA 0.02 0.19 0.61 -0.51 4.44 4.75 2zr8A1 PRO 209 HB2 0.03 -0.08 0.04 -0.04 2.28 2.23 2zr8A1 PRO 209 HB3 0.03 -0.05 0.10 -0.04 2.02 2.06 2zr8A1 PRO 209 HG2 0.03 -0.03 0.13 -0.04 2.03 2.12 2zr8A1 PRO 209 HG3 0.03 0.04 0.06 -0.04 2.03 2.12 2zr8A1 PRO 209 HD2 0.02 0.32 0.38 -0.04 3.68 4.36 2zr8A1 PRO 209 HD3 0.03 0.02 0.23 -0.04 3.65 3.90 2zr8A1 GLU 210 H 0.01 0.45 0.23 -0.55 8.60 8.74 2zr8A1 GLU 210 HA 0.01 0.12 0.26 -0.75 4.29 3.93 2zr8A1 GLU 210 HB2 0.01 0.09 -0.06 -0.04 2.09 2.10 2zr8A1 GLU 210 HB3 0.01 0.03 -0.06 -0.04 1.99 1.92 2zr8A1 GLU 210 HG2 0.01 0.05 0.06 -0.04 2.34 2.42 2zr8A1 GLU 210 HG3 0.01 -0.07 0.07 -0.04 2.34 2.32 2zr8A1 ALA 211 H 0.02 -0.02 -0.18 -0.55 8.40 7.68 2zr8A1 ALA 211 HA 0.03 0.13 0.45 -0.75 4.34 4.19 2zr8A1 ALA 211 HB3 0.04 -0.02 0.06 -0.04 1.41 1.45 2zr8A1 GLY 212 H 0.03 0.21 -0.48 -0.55 8.43 7.65 2zr8A1 GLY 212 HA2 0.03 0.24 0.90 -0.51 4.01 4.67 2zr8A1 GLY 212 HA3 0.03 0.03 0.38 -0.51 4.01 3.94 2zr8A1 ASN 213 H 0.02 0.33 -0.34 -0.55 8.53 8.00 2zr8A1 ASN 213 HA 0.02 0.14 0.71 -0.75 4.76 4.88 2zr8A1 ASN 213 HB2 0.02 -0.08 0.07 -0.04 2.88 2.85 2zr8A1 ASN 213 HB3 0.02 0.11 -0.03 -0.04 2.79 2.85 2zr8A1 ASN 213 HD21 0.02 0.03 -0.03 -0.04 7.03 7.01 2zr8A1 ASN 213 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.69 2zr8A1 ASP 214 H 0.01 0.25 -0.52 -0.55 8.40 7.60 2zr8A1 ASP 214 HA 0.01 0.09 0.29 -0.75 4.63 4.26 2zr8A1 ASP 214 HB2 -0.03 0.21 -0.03 -0.04 2.71 2.82 2zr8A1 ASP 214 HB3 0.01 0.07 -0.06 -0.04 2.70 2.67 2zr8A1 GLY 215 H 0.00 0.20 -0.24 -0.55 8.43 7.85 2zr8A1 GLY 215 HA2 0.03 0.02 0.30 -0.51 4.01 3.85 2zr8A1 GLY 215 HA3 0.03 0.05 0.16 -0.51 4.01 3.74 2zr8A1 GLN 216 H 0.04 0.10 -0.36 -0.55 8.47 7.70 2zr8A1 GLN 216 HA 0.09 0.05 0.34 -0.75 4.36 4.09 2zr8A1 GLN 216 HB2 0.03 -0.07 -0.07 -0.04 2.15 2.00 2zr8A1 GLN 216 HB3 0.04 0.12 0.05 -0.04 2.02 2.19 2zr8A1 GLN 216 HG2 0.08 0.00 -0.17 -0.04 2.40 2.27 2zr8A1 GLN 216 HG3 0.04 0.14 0.02 -0.04 2.39 2.55 2zr8A1 GLN 216 HE21 0.01 -0.12 -0.01 -0.04 6.97 6.81 2zr8A1 GLN 216 HE22 0.01 0.54 0.14 -0.04 7.69 8.33 2zr8A1 GLN 217 H 0.05 0.50 -0.14 -0.55 8.47 8.33 2zr8A1 GLN 217 HA 0.06 0.03 0.39 -0.75 4.36 4.09 2zr8A1 GLN 217 HB2 0.02 0.07 0.18 -0.04 2.15 2.37 2zr8A1 GLN 217 HB3 0.02 -0.02 -0.01 -0.04 2.02 1.97 2zr8A1 GLN 217 HG2 0.03 -0.00 0.01 -0.04 2.40 2.40 2zr8A1 GLN 217 HG3 0.03 0.05 -0.00 -0.04 2.39 2.42 2zr8A1 GLN 217 HE21 0.02 -0.00 -0.04 -0.04 6.97 6.91 2zr8A1 GLN 217 HE22 0.02 0.02 -0.02 -0.04 7.69 7.67 2zr8A1 SER 218 H 0.03 0.61 -0.12 -0.55 8.46 8.42 2zr8A1 SER 218 HA -0.07 0.22 0.51 -0.75 4.49 4.40 2zr8A1 SER 218 HB2 -0.02 0.09 0.15 -0.04 3.95 4.13 2zr8A1 SER 218 HB3 -0.61 -0.03 -0.12 -0.04 3.93 3.13 2zr8A1 PHE 219 H 0.31 0.52 -0.14 -0.55 8.34 8.48 2zr8A1 PHE 219 HA 0.27 0.02 0.29 -0.75 4.62 4.45 2zr8A1 PHE 219 HB2 0.13 -0.08 0.02 -0.04 3.15 3.18 2zr8A1 PHE 219 HB3 0.08 0.09 0.09 -0.04 3.06 3.28 2zr8A1 PHE 219 HD2 0.05 -0.06 -0.20 -0.04 7.28 7.03 2zr8A1 PHE 219 HE2 0.01 0.14 -0.08 -0.04 7.38 7.41 2zr8A1 PHE 219 HZ 0.00 0.21 -0.17 -0.04 7.32 7.32 2zr8A1 ARG 220 H 0.18 0.36 -0.25 -0.55 8.46 8.20 2zr8A1 ARG 220 HA 0.01 0.08 0.53 -0.75 4.34 4.20 2zr8A1 ARG 220 HB2 0.07 0.01 0.13 -0.04 1.90 2.07 2zr8A1 ARG 220 HB3 0.06 -0.05 0.02 -0.04 1.80 1.79 2zr8A1 ARG 220 HG2 0.17 0.37 0.08 -0.04 1.67 2.25 2zr8A1 ARG 220 HG3 0.09 -0.11 -0.02 -0.04 1.67 1.59 2zr8A1 ARG 220 HD2 0.11 -0.01 0.01 -0.04 3.22 3.30 2zr8A1 ARG 220 HD3 0.28 0.03 -0.05 -0.04 3.22 3.43 2zr8A1 LYS 221 H 0.05 0.57 0.05 -0.55 8.42 8.54 2zr8A1 LYS 221 HA 0.01 0.00 0.43 -0.75 4.32 4.01 2zr8A1 LYS 221 HB2 0.02 -0.01 0.14 -0.04 1.87 1.98 2zr8A1 LYS 221 HB3 0.01 0.03 0.18 -0.04 1.79 1.98 2zr8A1 LYS 221 HG2 0.01 -0.03 -0.18 -0.04 1.46 1.23 2zr8A1 LYS 221 HG3 0.01 -0.02 0.02 -0.04 1.46 1.43 2zr8A1 LYS 221 HD2 0.01 -0.04 -0.05 -0.04 1.69 1.57 2zr8A1 LYS 221 HD3 -0.01 0.03 -0.15 -0.04 1.68 1.50 2zr8A1 LYS 221 HE2 0.01 -0.04 -0.09 -0.04 2.99 2.83 2zr8A1 LYS 221 HE3 0.01 -0.00 -0.12 -0.04 2.99 2.83 2zr8A1 GLY 222 H 0.10 0.75 -0.01 -0.55 8.43 8.72 2zr8A1 GLY 222 HA2 0.11 0.05 0.25 -0.51 4.01 3.91 2zr8A1 GLY 222 HA3 0.04 0.15 0.80 -0.51 4.01 4.49 2zr8A1 SER 223 H 0.05 0.22 0.03 -0.55 8.46 8.21 2zr8A1 SER 223 HA 0.09 0.12 0.61 -0.75 4.49 4.56 2zr8A1 SER 223 HB2 -0.00 -0.07 0.04 -0.04 3.95 3.88 2zr8A1 SER 223 HB3 0.03 0.10 -0.23 -0.04 3.93 3.80 2zr8A1 ILE 224 H -0.22 0.13 0.07 -0.55 8.25 7.68 2zr8A1 ILE 224 HA -0.56 0.01 0.49 -0.75 4.18 3.36 2zr8A1 ILE 224 HB -0.20 0.01 0.08 -0.04 1.89 1.73 2zr8A1 ILE 224 HG12 -0.62 -0.03 -0.09 -0.04 1.49 0.70 2zr8A1 ILE 224 HG13 -0.41 0.01 -0.02 -0.04 1.21 0.76 2zr8A1 ILE 224 HG23 -0.49 -0.03 -0.21 -0.04 0.93 0.16 2zr8A1 ILE 224 HD13 -0.02 0.04 -0.15 -0.04 0.88 0.71 2zr8A1 VAL 225 H -0.24 0.11 0.22 -0.55 8.24 7.77 2zr8A1 VAL 225 HA -0.02 0.17 0.78 -0.75 4.13 4.30 2zr8A1 VAL 225 HB -0.06 -0.03 0.12 -0.04 2.12 2.11 2zr8A1 VAL 225 HG13 0.01 0.01 -0.13 -0.04 0.97 0.82 2zr8A1 VAL 225 HG23 -0.03 0.04 -0.18 -0.04 0.95 0.74 2zr8A1 HIS 226 H 0.18 0.19 0.16 -0.55 8.41 8.40 2zr8A1 HIS 226 HA 0.07 0.32 1.00 -0.75 4.63 5.27 2zr8A1 HIS 226 HB2 -0.01 -0.01 0.07 -0.04 3.26 3.27 2zr8A1 HIS 226 HB3 0.04 0.01 0.00 -0.04 3.20 3.21 2zr8A1 HIS 226 HD2 -0.33 -0.05 -0.11 -0.04 6.97 6.43 2zr8A1 HIS 226 HE1 -0.13 0.07 -0.08 -0.04 7.75 7.56 2zr8A1 ILE 227 H 0.12 0.54 0.33 -0.55 8.25 8.70 2zr8A1 ILE 227 HA 0.07 0.16 0.90 -0.75 4.18 4.56 2zr8A1 ILE 227 HB 0.05 0.01 0.14 -0.04 1.89 2.05 2zr8A1 ILE 227 HG12 0.05 0.10 0.07 -0.04 1.49 1.66 2zr8A1 ILE 227 HG13 0.06 0.08 -0.27 -0.04 1.21 1.04 2zr8A1 ILE 227 HG23 0.04 -0.02 -0.22 -0.04 0.93 0.68 2zr8A1 ILE 227 HD13 0.03 -0.01 0.01 -0.04 0.88 0.88 2zr8A1 ASP 228 H 0.06 0.10 0.15 -0.55 8.40 8.16 2zr8A1 ASP 228 HA 0.07 0.06 0.56 -0.75 4.63 4.58 2zr8A1 ASP 228 HB2 0.07 -0.01 0.07 -0.04 2.71 2.80 2zr8A1 ASP 228 HB3 0.08 0.06 0.09 -0.04 2.70 2.89 2zr8A1 THR 229 H 0.08 0.10 0.16 -0.55 8.28 8.07 2zr8A1 THR 229 HA 0.04 0.15 0.33 -0.75 4.39 4.15 2zr8A1 THR 229 HB 0.10 -0.10 0.15 -0.04 4.32 4.42 2zr8A1 THR 229 HG23 -0.23 0.03 -0.13 -0.04 1.22 0.85 2zr8A1 PRO 230 HA 0.10 0.08 0.50 -0.51 4.44 4.61 2zr8A1 PRO 230 HB2 0.06 -0.16 -0.34 -0.04 2.28 1.80 2zr8A1 PRO 230 HB3 0.05 0.26 -0.16 -0.04 2.02 2.13 2zr8A1 PRO 230 HG2 0.05 -0.15 0.05 -0.04 2.03 1.95 2zr8A1 PRO 230 HG3 0.04 0.08 0.07 -0.04 2.03 2.17 2zr8A1 PRO 230 HD2 0.03 0.26 0.15 -0.04 3.68 4.08 2zr8A1 PRO 230 HD3 0.04 0.25 0.07 -0.04 3.65 3.97 2zr8A1 LYS 231 H 0.10 0.19 0.12 -0.55 8.42 8.27 2zr8A1 LYS 231 HA 0.21 0.12 0.71 -0.75 4.32 4.62 2zr8A1 LYS 231 HB2 0.07 0.03 0.19 -0.04 1.87 2.12 2zr8A1 LYS 231 HB3 0.06 -0.05 0.05 -0.04 1.79 1.82 2zr8A1 LYS 231 HG2 -0.01 0.01 0.01 -0.04 1.46 1.43 2zr8A1 LYS 231 HG3 0.02 -0.02 0.03 -0.04 1.46 1.44 2zr8A1 LYS 231 HD2 0.16 0.06 -0.14 -0.04 1.69 1.72 2zr8A1 LYS 231 HD3 0.05 0.04 -0.01 -0.04 1.68 1.72 2zr8A1 LYS 231 HE2 -0.14 0.00 -0.00 -0.04 2.99 2.81 2zr8A1 LYS 231 HE3 -0.47 -0.04 -0.02 -0.04 2.99 2.42 2zr8A1 THR 232 H 0.13 0.42 0.13 -0.55 8.28 8.41 2zr8A1 THR 232 HA 0.06 0.09 0.51 -0.75 4.39 4.29 2zr8A1 THR 232 HB 0.05 0.13 -0.11 -0.04 4.32 4.35 2zr8A1 THR 232 HG23 0.06 0.05 -0.35 -0.04 1.22 0.94 2zr8A1 ILE 233 H 0.04 0.15 0.13 -0.55 8.25 8.02 2zr8A1 ILE 233 HA 0.12 0.20 0.55 -0.75 4.18 4.31 2zr8A1 ILE 233 HB -0.03 0.02 0.15 -0.04 1.89 1.99 2zr8A1 ILE 233 HG12 -0.05 -0.09 0.12 -0.04 1.49 1.43 2zr8A1 ILE 233 HG13 -0.09 -0.05 -0.21 -0.04 1.21 0.83 2zr8A1 ILE 233 HG23 0.11 0.03 0.04 -0.04 0.93 1.08 2zr8A1 ILE 233 HD13 -0.40 0.05 0.02 -0.04 0.88 0.51 2zr8A1 ALA 234 H 0.04 0.08 -0.40 -0.55 8.40 7.57 2zr8A1 ALA 234 HA 0.05 -0.01 0.45 -0.75 4.34 4.07 2zr8A1 ALA 234 HB3 0.04 0.04 0.04 -0.04 1.41 1.49 2zr8A1 ASP 235 H 0.09 0.57 -0.02 -0.55 8.40 8.49 2zr8A1 ASP 235 HA 0.07 0.16 0.27 -0.75 4.63 4.38 2zr8A1 ASP 235 HB2 0.07 0.05 0.19 -0.04 2.71 2.98 2zr8A1 ASP 235 HB3 0.10 0.11 0.16 -0.04 2.70 3.02 2zr8A1 GLY 236 H 0.07 -0.01 -0.57 -0.55 8.43 7.37 2zr8A1 GLY 236 HA2 0.08 0.14 0.77 -0.51 4.01 4.49 2zr8A1 GLY 236 HA3 0.08 -0.04 0.29 -0.51 4.01 3.84 2zr8A1 ALA 237 H 0.06 0.63 -0.13 -0.55 8.40 8.41 2zr8A1 ALA 237 HA 0.03 0.01 0.93 -0.75 4.34 4.56 2zr8A1 ALA 237 HB3 0.04 0.05 0.13 -0.04 1.41 1.59 2zr8A1 GLN 238 H 0.04 0.11 -0.13 -0.55 8.47 7.95 2zr8A1 GLN 238 HA 0.03 0.24 0.69 -0.75 4.36 4.57 2zr8A1 GLN 238 HB2 0.01 -0.05 0.08 -0.04 2.15 2.14 2zr8A1 GLN 238 HB3 -0.02 0.07 0.18 -0.04 2.02 2.20 2zr8A1 GLN 238 HG2 0.06 0.17 -0.04 -0.04 2.40 2.55 2zr8A1 GLN 238 HG3 0.05 -0.07 -0.16 -0.04 2.39 2.17 2zr8A1 GLN 238 HE21 0.26 -0.11 0.06 -0.04 6.97 7.15 2zr8A1 GLN 238 HE22 0.18 0.82 0.22 -0.04 7.69 8.87 2zr8A1 THR 239 H 0.00 -0.04 -0.57 -0.55 8.28 7.13 2zr8A1 THR 239 HA 0.02 0.00 0.38 -0.75 4.39 4.03 2zr8A1 THR 239 HB -0.12 0.10 -0.11 -0.04 4.32 4.15 2zr8A1 THR 239 HG23 -0.03 -0.05 -0.03 -0.04 1.22 1.06 2zr8A1 GLN 240 H -0.05 0.04 0.18 -0.55 8.47 8.09 2zr8A1 GLN 240 HA 0.04 0.23 0.59 -0.75 4.36 4.46 2zr8A1 GLN 240 HB2 0.11 -0.10 0.10 -0.04 2.15 2.21 2zr8A1 GLN 240 HB3 0.14 0.23 0.20 -0.04 2.02 2.55 2zr8A1 GLN 240 HG2 0.05 0.07 -0.12 -0.04 2.40 2.37 2zr8A1 GLN 240 HG3 0.03 -0.10 0.08 -0.04 2.39 2.36 2zr8A1 GLN 240 HE21 0.03 0.03 0.02 -0.04 6.97 7.01 2zr8A1 GLN 240 HE22 0.02 -0.09 0.07 -0.04 7.69 7.65 2zr8A1 HIS 241 H -0.23 0.07 -0.05 -0.55 8.41 7.66 2zr8A1 HIS 241 HA -0.11 0.13 0.38 -0.75 4.63 4.27 2zr8A1 HIS 241 HB2 -0.37 0.01 0.00 -0.04 3.26 2.87 2zr8A1 HIS 241 HB3 -0.26 0.19 -0.05 -0.04 3.20 3.03 2zr8A1 HIS 241 HD2 0.17 0.03 -0.18 -0.04 6.97 6.93 2zr8A1 HIS 241 HE1 0.12 -0.07 -0.08 -0.04 7.75 7.68 2zr8A1 LEU 242 H -0.03 0.17 0.06 -0.55 8.37 8.01 2zr8A1 LEU 242 HA -0.06 0.06 0.57 -0.75 4.35 4.17 2zr8A1 LEU 242 HB2 -0.05 0.03 0.02 -0.04 1.64 1.60 2zr8A1 LEU 242 HB3 0.12 0.01 0.06 -0.04 1.64 1.79 2zr8A1 LEU 242 HG -0.02 -0.06 -0.06 -0.04 1.64 1.46 2zr8A1 LEU 242 HD13 0.20 0.02 -0.07 -0.04 0.93 1.03 2zr8A1 LEU 242 HD23 -0.01 -0.01 -0.20 -0.04 0.89 0.64 2zr8A1 GLY 243 H 0.13 0.36 0.25 -0.55 8.43 8.62 2zr8A1 GLY 243 HA2 0.33 0.17 0.57 -0.51 4.01 4.58 2zr8A1 GLY 243 HA3 0.37 -0.13 0.33 -0.51 4.01 4.07 2zr8A1 ASN 244 H 0.21 0.15 0.16 -0.55 8.53 8.51 2zr8A1 ASN 244 HA 0.16 0.19 0.46 -0.75 4.76 4.81 2zr8A1 ASN 244 HB2 -0.00 -0.04 0.11 -0.04 2.88 2.91 2zr8A1 ASN 244 HB3 -0.01 0.13 0.02 -0.04 2.79 2.89 2zr8A1 ASN 244 HD21 0.09 0.04 0.04 -0.04 7.03 7.16 2zr8A1 ASN 244 HD22 0.09 -0.00 0.08 -0.04 7.74 7.86 2zr8A1 TYR 245 H 0.29 0.03 -0.03 -0.55 8.29 8.03 2zr8A1 TYR 245 HA 0.06 0.23 0.33 -0.75 4.56 4.42 2zr8A1 TYR 245 HB2 0.08 -0.21 -0.03 -0.04 3.06 2.86 2zr8A1 TYR 245 HB3 0.04 0.08 -0.16 -0.04 2.98 2.91 2zr8A1 TYR 245 HD2 0.02 -0.03 -0.09 -0.04 7.15 7.01 2zr8A1 TYR 245 HE2 -0.03 0.20 -0.02 -0.04 6.85 6.96 2zr8A1 THR 246 H 0.28 -0.07 -0.30 -0.55 8.28 7.65 2zr8A1 THR 246 HA 0.15 0.11 0.28 -0.75 4.39 4.17 2zr8A1 THR 246 HB 0.12 0.07 -0.05 -0.04 4.32 4.42 2zr8A1 THR 246 HG23 0.20 -0.07 -0.33 -0.04 1.22 0.98 2zr8A1 PHE 247 H 0.29 0.46 -0.35 -0.55 8.34 8.18 2zr8A1 PHE 247 HA 0.07 -0.01 0.35 -0.75 4.62 4.28 2zr8A1 PHE 247 HB2 0.06 -0.07 -0.01 -0.04 3.15 3.09 2zr8A1 PHE 247 HB3 0.05 0.11 0.03 -0.04 3.06 3.20 2zr8A1 PHE 247 HD2 0.05 -0.04 -0.14 -0.04 7.28 7.10 2zr8A1 PHE 247 HE2 0.05 0.09 -0.37 -0.04 7.38 7.11 2zr8A1 PHE 247 HZ -0.01 0.12 -0.42 -0.04 7.32 6.96 2zr8A1 SER 248 H 0.10 0.40 -0.31 -0.55 8.46 8.10 2zr8A1 SER 248 HA -0.18 0.08 0.33 -0.75 4.49 3.96 2zr8A1 SER 248 HB2 0.02 0.07 0.09 -0.04 3.95 4.09 2zr8A1 SER 248 HB3 -0.03 0.01 0.03 -0.04 3.93 3.89 2zr8A1 ILE 249 H 0.03 0.24 -0.36 -0.55 8.25 7.60 2zr8A1 ILE 249 HA -0.01 0.16 0.58 -0.75 4.18 4.15 2zr8A1 ILE 249 HB 0.06 -0.04 0.10 -0.04 1.89 1.96 2zr8A1 ILE 249 HG12 0.04 0.07 -0.05 -0.04 1.49 1.51 2zr8A1 ILE 249 HG13 0.07 0.08 -0.02 -0.04 1.21 1.30 2zr8A1 ILE 249 HG23 0.04 0.01 -0.14 -0.04 0.93 0.80 2zr8A1 ILE 249 HD13 0.08 -0.04 -0.11 -0.04 0.88 0.78 2zr8A1 ILE 250 H 0.02 0.62 0.06 -0.55 8.25 8.40 2zr8A1 ILE 250 HA 0.04 -0.02 0.26 -0.75 4.18 3.71 2zr8A1 ILE 250 HB 0.09 0.04 0.07 -0.04 1.89 2.06 2zr8A1 ILE 250 HG12 0.05 -0.08 -0.12 -0.04 1.49 1.30 2zr8A1 ILE 250 HG13 0.08 0.21 0.06 -0.04 1.21 1.51 2zr8A1 ILE 250 HG23 0.17 0.00 -0.23 -0.04 0.93 0.84 2zr8A1 ILE 250 HD13 0.12 -0.08 -0.17 -0.04 0.88 0.71 2zr8A1 LYS 251 H -0.27 0.57 -0.37 -0.55 8.42 7.79 2zr8A1 LYS 251 HA -0.16 0.04 0.34 -0.75 4.32 3.79 2zr8A1 LYS 251 HB2 -1.14 -0.06 0.01 -0.04 1.87 0.63 2zr8A1 LYS 251 HB3 -0.41 0.09 0.03 -0.04 1.79 1.46 2zr8A1 LYS 251 HG2 -0.22 0.02 -0.19 -0.04 1.46 1.02 2zr8A1 LYS 251 HG3 -0.31 0.02 0.03 -0.04 1.46 1.16 2zr8A1 LYS 251 HD2 -0.14 0.00 -0.02 -0.04 1.69 1.49 2zr8A1 LYS 251 HD3 -0.36 -0.02 -0.08 -0.04 1.68 1.18 2zr8A1 LYS 251 HE2 -0.11 -0.05 -0.04 -0.04 2.99 2.75 2zr8A1 LYS 251 HE3 -0.48 -0.05 -0.11 -0.04 2.99 2.32 2zr8A1 GLU 252 H -0.07 0.22 -0.39 -0.55 8.60 7.82 2zr8A1 GLU 252 HA -0.05 0.23 0.96 -0.75 4.29 4.68 2zr8A1 GLU 252 HB2 -0.03 0.00 0.09 -0.04 2.09 2.11 2zr8A1 GLU 252 HB3 -0.03 -0.04 0.06 -0.04 1.99 1.94 2zr8A1 GLU 252 HG2 -0.07 0.01 -0.08 -0.04 2.34 2.16 2zr8A1 GLU 252 HG3 -0.10 0.11 -0.01 -0.04 2.34 2.30 2zr8A1 LYS 253 H 0.01 0.50 0.08 -0.55 8.42 8.45 2zr8A1 LYS 253 HA -0.00 0.30 1.02 -0.75 4.32 4.89 2zr8A1 LYS 253 HB2 0.01 -0.06 -0.05 -0.04 1.87 1.73 2zr8A1 LYS 253 HB3 0.00 0.00 0.09 -0.04 1.79 1.85 2zr8A1 LYS 253 HG2 -0.01 0.11 -0.16 -0.04 1.46 1.36 2zr8A1 LYS 253 HG3 -0.00 -0.03 -0.16 -0.04 1.46 1.22 2zr8A1 LYS 253 HD2 0.02 -0.09 -0.12 -0.04 1.69 1.46 2zr8A1 LYS 253 HD3 0.01 0.06 -0.10 -0.04 1.68 1.61 2zr8A1 LYS 253 HE2 0.02 -0.09 -0.02 -0.04 2.99 2.86 2zr8A1 LYS 253 HE3 -0.00 0.07 -0.03 -0.04 2.99 2.98 2zr8A1 VAL 254 H 0.09 0.41 -0.09 -0.55 8.24 8.10 2zr8A1 VAL 254 HA -0.05 0.08 0.91 -0.75 4.13 4.31 2zr8A1 VAL 254 HB 0.09 0.38 0.11 -0.04 2.12 2.66 2zr8A1 VAL 254 HG13 -0.28 -0.03 -0.17 -0.04 0.97 0.45 2zr8A1 VAL 254 HG23 -0.01 -0.07 -0.16 -0.04 0.95 0.67 2zr8A1 ASP 255 H -0.16 0.40 0.33 -0.55 8.40 8.43 2zr8A1 ASP 255 HA 0.09 0.22 0.70 -0.75 4.63 4.89 2zr8A1 ASP 255 HB2 -0.33 -0.02 0.10 -0.04 2.71 2.42 2zr8A1 ASP 255 HB3 -0.06 -0.01 0.05 -0.04 2.70 2.64 2zr8A1 ASP 256 H -0.21 0.28 0.19 -0.55 8.40 8.12 2zr8A1 ASP 256 HA -0.39 0.13 0.41 -0.75 4.63 4.03 2zr8A1 ASP 256 HB2 0.16 0.18 -0.40 -0.04 2.71 2.62 2zr8A1 ASP 256 HB3 0.26 -0.09 -0.16 -0.04 2.70 2.66 2zr8A1 ILE 257 H -0.21 0.30 0.12 -0.55 8.25 7.90 2zr8A1 ILE 257 HA -0.12 0.18 0.97 -0.75 4.18 4.46 2zr8A1 ILE 257 HB -0.06 0.01 0.08 -0.04 1.89 1.88 2zr8A1 ILE 257 HG12 -0.85 0.04 -0.28 -0.04 1.49 0.36 2zr8A1 ILE 257 HG13 -0.07 0.05 -0.23 -0.04 1.21 0.91 2zr8A1 ILE 257 HG23 -0.02 -0.04 -0.26 -0.04 0.93 0.56 2zr8A1 ILE 257 HD13 -0.19 0.01 -0.17 -0.04 0.88 0.48 2zr8A1 LEU 258 H -0.03 0.72 0.35 -0.55 8.37 8.86 2zr8A1 LEU 258 HA -0.03 0.22 0.91 -0.75 4.35 4.69 2zr8A1 LEU 258 HB2 -0.01 -0.08 -0.04 -0.04 1.64 1.48 2zr8A1 LEU 258 HB3 -0.04 0.03 0.08 -0.04 1.64 1.67 2zr8A1 LEU 258 HG -0.11 -0.06 -0.30 -0.04 1.64 1.12 2zr8A1 LEU 258 HD13 -0.25 0.01 -0.18 -0.04 0.93 0.46 2zr8A1 LEU 258 HD23 -0.16 0.04 -0.16 -0.04 0.89 0.58 2zr8A1 THR 259 H -0.01 0.29 0.21 -0.55 8.28 8.22 2zr8A1 THR 259 HA 0.01 0.44 0.99 -0.75 4.39 5.07 2zr8A1 THR 259 HB 0.01 -0.14 -0.06 -0.04 4.32 4.08 2zr8A1 THR 259 HG23 0.01 0.02 -0.29 -0.04 1.22 0.91 2zr8A1 VAL 260 H 0.01 0.34 0.29 -0.55 8.24 8.33 2zr8A1 VAL 260 HA -0.02 0.22 0.74 -0.75 4.13 4.31 2zr8A1 VAL 260 HB -0.02 -0.03 -0.01 -0.04 2.12 2.02 2zr8A1 VAL 260 HG13 -0.02 0.02 -0.40 -0.04 0.97 0.53 2zr8A1 VAL 260 HG23 0.01 -0.01 -0.19 -0.04 0.95 0.73 2zr8A1 SER 261 H -0.02 0.21 0.17 -0.55 8.46 8.28 2zr8A1 SER 261 HA -0.00 0.11 0.72 -0.75 4.49 4.57 2zr8A1 SER 261 HB2 -0.01 -0.02 0.20 -0.04 3.95 4.09 2zr8A1 SER 261 HB3 -0.01 0.19 0.14 -0.04 3.93 4.21 2zr8A1 ASP 262 H -0.00 0.25 0.24 -0.55 8.40 8.34 2zr8A1 ASP 262 HA -0.03 0.06 0.45 -0.75 4.63 4.35 2zr8A1 ASP 262 HB2 -0.00 0.09 0.18 -0.04 2.71 2.94 2zr8A1 ASP 262 HB3 -0.03 0.09 0.08 -0.04 2.70 2.79 2zr8A1 GLU 263 H -0.02 0.06 -0.19 -0.55 8.60 7.92 2zr8A1 GLU 263 HA -0.02 0.14 0.41 -0.75 4.29 4.06 2zr8A1 GLU 263 HB2 -0.01 -0.00 0.11 -0.04 2.09 2.15 2zr8A1 GLU 263 HB3 -0.02 -0.02 0.04 -0.04 1.99 1.95 2zr8A1 GLU 263 HG2 -0.02 0.05 -0.09 -0.04 2.34 2.24 2zr8A1 GLU 263 HG3 -0.01 0.03 0.05 -0.04 2.34 2.37 2zr8A1 GLU 264 H -0.03 0.03 -0.25 -0.55 8.60 7.81 2zr8A1 GLU 264 HA -0.04 0.14 0.42 -0.75 4.29 4.05 2zr8A1 GLU 264 HB2 -0.03 0.03 0.11 -0.04 2.09 2.16 2zr8A1 GLU 264 HB3 -0.06 0.08 -0.01 -0.04 1.99 1.96 2zr8A1 GLU 264 HG2 -0.06 0.13 0.04 -0.04 2.34 2.41 2zr8A1 GLU 264 HG3 -0.04 -0.09 0.06 -0.04 2.34 2.22 2zr8A1 LEU 265 H -0.03 0.27 -0.35 -0.55 8.37 7.71 2zr8A1 LEU 265 HA 0.01 0.08 0.34 -0.75 4.35 4.03 2zr8A1 LEU 265 HB2 -0.07 0.13 0.16 -0.04 1.64 1.83 2zr8A1 LEU 265 HB3 -0.04 -0.04 -0.04 -0.04 1.64 1.48 2zr8A1 LEU 265 HG -0.01 0.14 -0.16 -0.04 1.64 1.58 2zr8A1 LEU 265 HD13 -0.01 -0.04 -0.13 -0.04 0.93 0.71 2zr8A1 LEU 265 HD23 0.03 0.03 -0.26 -0.04 0.89 0.66 2zr8A1 ILE 266 H -0.07 0.50 -0.10 -0.55 8.25 8.03 2zr8A1 ILE 266 HA -0.09 -0.01 0.40 -0.75 4.18 3.73 2zr8A1 ILE 266 HB -0.05 0.10 0.18 -0.04 1.89 2.09 2zr8A1 ILE 266 HG12 -0.33 -0.04 0.06 -0.04 1.49 1.14 2zr8A1 ILE 266 HG13 -0.20 0.05 0.11 -0.04 1.21 1.13 2zr8A1 ILE 266 HG23 -0.01 0.01 -0.09 -0.04 0.93 0.81 2zr8A1 ILE 266 HD13 -0.02 -0.01 0.01 -0.04 0.88 0.82 2zr8A1 ASP 267 H -0.02 0.39 -0.21 -0.55 8.40 8.02 2zr8A1 ASP 267 HA 0.02 0.10 0.41 -0.75 4.63 4.41 2zr8A1 ASP 267 HB2 -0.02 0.07 0.14 -0.04 2.71 2.85 2zr8A1 ASP 267 HB3 -0.03 0.06 0.04 -0.04 2.70 2.72 2zr8A1 CYS 268 H 0.02 0.40 -0.31 -0.55 8.50 8.06 2zr8A1 CYS 268 HA 0.07 0.04 0.39 -0.75 4.58 4.33 2zr8A1 CYS 268 HB2 -0.00 0.06 0.09 -0.04 2.97 3.07 2zr8A1 CYS 268 HB3 0.09 0.13 0.17 -0.04 2.97 3.31 2zr8A1 LEU 269 H 0.10 0.50 -0.15 -0.55 8.37 8.27 2zr8A1 LEU 269 HA 0.31 -0.01 0.40 -0.75 4.35 4.30 2zr8A1 LEU 269 HB2 0.12 -0.06 0.03 -0.04 1.64 1.70 2zr8A1 LEU 269 HB3 0.08 0.16 0.15 -0.04 1.64 1.98 2zr8A1 LEU 269 HG 0.41 -0.00 0.05 -0.04 1.64 2.05 2zr8A1 LEU 269 HD13 0.28 -0.05 -0.02 -0.04 0.93 1.11 2zr8A1 LEU 269 HD23 -0.00 0.02 -0.31 -0.04 0.89 0.56 2zr8A1 LYS 270 H 0.09 0.51 -0.22 -0.55 8.42 8.24 2zr8A1 LYS 270 HA 0.04 0.03 0.47 -0.75 4.32 4.10 2zr8A1 LYS 270 HB2 0.06 0.11 0.15 -0.04 1.87 2.15 2zr8A1 LYS 270 HB3 0.03 -0.01 0.05 -0.04 1.79 1.82 2zr8A1 LYS 270 HG2 -0.01 0.02 0.07 -0.04 1.46 1.51 2zr8A1 LYS 270 HG3 0.02 0.01 0.04 -0.04 1.46 1.49 2zr8A1 LYS 270 HD2 0.00 0.04 -0.05 -0.04 1.69 1.64 2zr8A1 LYS 270 HD3 0.02 -0.12 -0.08 -0.04 1.68 1.46 2zr8A1 LYS 270 HE2 0.02 -0.10 0.00 -0.04 2.99 2.87 2zr8A1 LYS 270 HE3 -0.01 0.21 0.01 -0.04 2.99 3.16 2zr8A1 PHE 271 H 0.20 0.44 -0.22 -0.55 8.34 8.21 2zr8A1 PHE 271 HA 0.00 0.02 0.40 -0.75 4.62 4.29 2zr8A1 PHE 271 HB2 -0.00 0.07 0.09 -0.04 3.15 3.28 2zr8A1 PHE 271 HB3 -0.07 0.11 0.14 -0.04 3.06 3.20 2zr8A1 PHE 271 HD2 -0.17 0.03 -0.12 -0.04 7.28 6.98 2zr8A1 PHE 271 HE2 -0.13 0.00 -0.11 -0.04 7.38 7.11 2zr8A1 PHE 271 HZ 0.03 -0.10 -0.11 -0.04 7.32 7.10 2zr8A1 TYR 272 H 0.19 0.58 -0.17 -0.55 8.29 8.34 2zr8A1 TYR 272 HA -0.21 -0.04 0.35 -0.75 4.56 3.91 2zr8A1 TYR 272 HB2 0.07 0.10 0.13 -0.04 3.06 3.32 2zr8A1 TYR 272 HB3 -0.04 0.08 -0.12 -0.04 2.98 2.86 2zr8A1 TYR 272 HD2 -0.10 -0.01 -0.12 -0.04 7.15 6.88 2zr8A1 TYR 272 HE2 -0.36 -0.03 -0.12 -0.04 6.85 6.30 2zr8A1 ALA 273 H 0.13 0.40 -0.22 -0.55 8.40 8.17 2zr8A1 ALA 273 HA 0.07 0.03 0.41 -0.75 4.34 4.10 2zr8A1 ALA 273 HB3 0.11 0.00 0.09 -0.04 1.41 1.58 2zr8A1 ALA 274 H -0.04 0.67 0.04 -0.55 8.40 8.52 2zr8A1 ALA 274 HA -0.05 0.04 0.40 -0.75 4.34 3.98 2zr8A1 ALA 274 HB3 -0.06 -0.02 0.10 -0.04 1.41 1.40 2zr8A1 ARG 275 H -0.42 0.63 0.06 -0.55 8.46 8.18 2zr8A1 ARG 275 HA -0.21 0.19 0.83 -0.75 4.34 4.40 2zr8A1 ARG 275 HB2 -1.39 0.07 0.07 -0.04 1.90 0.61 2zr8A1 ARG 275 HB3 -0.40 -0.12 0.04 -0.04 1.80 1.28 2zr8A1 ARG 275 HG2 -0.42 0.02 0.04 -0.04 1.67 1.27 2zr8A1 ARG 275 HG3 -0.16 -0.06 -0.01 -0.04 1.67 1.40 2zr8A1 ARG 275 HD2 -0.06 -0.05 -0.01 -0.04 3.22 3.06 2zr8A1 ARG 275 HD3 -0.14 0.13 -0.22 -0.04 3.22 2.95 2zr8A1 MET 276 H -0.29 0.32 -0.03 -0.55 8.47 7.92 2zr8A1 MET 276 HA -0.16 0.20 0.97 -0.75 4.52 4.77 2zr8A1 MET 276 HB2 -0.11 0.04 0.08 -0.04 2.15 2.12 2zr8A1 MET 276 HB3 -0.19 -0.03 0.08 -0.04 2.03 1.84 2zr8A1 MET 276 HG2 -0.27 0.03 -0.15 -0.04 2.63 2.19 2zr8A1 MET 276 HG3 -0.45 -0.06 -0.22 -0.04 2.56 1.79 2zr8A1 MET 276 HE3 -0.63 0.01 -0.18 -0.04 2.10 1.25 2zr8A1 LYS 277 H -0.09 0.20 -0.27 -0.55 8.42 7.70 2zr8A1 LYS 277 HA -0.01 0.25 0.39 -0.75 4.32 4.20 2zr8A1 LYS 277 HB2 -0.02 0.09 -0.27 -0.04 1.87 1.63 2zr8A1 LYS 277 HB3 -0.00 -0.09 0.20 -0.04 1.79 1.87 2zr8A1 LYS 277 HG2 -0.02 -0.07 -0.04 -0.04 1.46 1.29 2zr8A1 LYS 277 HG3 -0.02 0.03 0.02 -0.04 1.46 1.45 2zr8A1 LYS 277 HD2 -0.08 0.04 -0.41 -0.04 1.69 1.20 2zr8A1 LYS 277 HD3 -0.06 -0.02 -0.35 -0.04 1.68 1.20 2zr8A1 LYS 277 HE2 -0.06 -0.01 0.02 -0.04 2.99 2.90 2zr8A1 LYS 277 HE3 -0.04 -0.11 -0.01 -0.04 2.99 2.79 2zr8A1 ILE 278 H -0.01 0.45 -0.20 -0.55 8.25 7.94 2zr8A1 ILE 278 HA 0.04 0.19 0.86 -0.75 4.18 4.51 2zr8A1 ILE 278 HB -0.22 -0.05 -0.14 -0.04 1.89 1.44 2zr8A1 ILE 278 HG12 -0.11 0.11 -0.23 -0.04 1.49 1.22 2zr8A1 ILE 278 HG13 -0.23 -0.12 -0.33 -0.04 1.21 0.49 2zr8A1 ILE 278 HG23 0.03 0.08 -0.20 -0.04 0.93 0.79 2zr8A1 ILE 278 HD13 -0.46 -0.02 -0.16 -0.04 0.88 0.20 2zr8A1 VAL 279 H -0.03 0.20 0.07 -0.55 8.24 7.92 2zr8A1 VAL 279 HA -0.00 0.12 0.69 -0.75 4.13 4.18 2zr8A1 VAL 279 HB -0.12 0.03 0.15 -0.04 2.12 2.14 2zr8A1 VAL 279 HG13 -0.61 -0.02 -0.17 -0.04 0.97 0.12 2zr8A1 VAL 279 HG23 -0.07 0.02 -0.07 -0.04 0.95 0.79 2zr8A1 VAL 280 H 0.05 0.27 0.11 -0.55 8.24 8.12 2zr8A1 VAL 280 HA -0.12 0.22 1.01 -0.75 4.13 4.48 2zr8A1 VAL 280 HB 0.08 0.01 -0.04 -0.04 2.12 2.12 2zr8A1 VAL 280 HG13 -0.02 0.06 -0.26 -0.04 0.97 0.71 2zr8A1 VAL 280 HG23 -0.67 0.02 -0.35 -0.04 0.95 -0.10 2zr8A1 GLU 281 H -0.01 0.38 0.15 -0.55 8.60 8.58 2zr8A1 GLU 281 HA 0.10 0.21 0.44 -0.75 4.29 4.29 2zr8A1 GLU 281 HB2 0.08 0.01 0.00 -0.04 2.09 2.14 2zr8A1 GLU 281 HB3 0.03 0.07 -0.38 -0.04 1.99 1.66 2zr8A1 GLU 281 HG2 0.03 0.17 -0.43 -0.04 2.34 2.07 2zr8A1 GLU 281 HG3 0.06 -0.34 -0.13 -0.04 2.34 1.89 2zr8A1 PRO 282 HA 0.02 0.17 0.30 -0.51 4.44 4.41 2zr8A1 PRO 282 HB2 0.02 -0.02 -0.02 -0.04 2.28 2.22 2zr8A1 PRO 282 HB3 -0.13 -0.01 -0.08 -0.04 2.02 1.76 2zr8A1 PRO 282 HG2 0.11 0.11 0.12 -0.04 2.03 2.33 2zr8A1 PRO 282 HG3 -0.17 0.13 0.08 -0.04 2.03 2.02 2zr8A1 PRO 282 HD2 0.13 0.04 0.20 -0.04 3.68 4.01 2zr8A1 PRO 282 HD3 0.22 0.20 0.21 -0.04 3.65 4.23 2zr8A1 THR 283 H 0.07 0.12 -0.21 -0.55 8.28 7.72 2zr8A1 THR 283 HA 0.06 0.10 0.38 -0.75 4.39 4.17 2zr8A1 THR 283 HB 0.09 0.06 -0.03 -0.04 4.32 4.39 2zr8A1 THR 283 HG23 0.09 0.03 -0.14 -0.04 1.22 1.16 2zr8A1 GLY 284 H 0.08 0.33 -0.36 -0.55 8.43 7.93 2zr8A1 GLY 284 HA2 0.09 -0.08 0.51 -0.51 4.01 4.01 2zr8A1 GLY 284 HA3 0.05 0.09 0.37 -0.51 4.01 4.01 2zr8A1 CYS 285 H 0.11 0.43 -0.61 -0.55 8.50 7.89 2zr8A1 CYS 285 HA 0.36 0.17 0.65 -0.75 4.58 5.00 2zr8A1 CYS 285 HB2 0.11 0.14 0.05 -0.04 2.97 3.23 2zr8A1 CYS 285 HB3 0.16 -0.05 0.07 -0.04 2.97 3.11 2zr8A1 LEU 286 H 0.11 0.32 -0.25 -0.55 8.37 8.00 2zr8A1 LEU 286 HA 0.07 0.05 0.26 -0.75 4.35 3.97 2zr8A1 LEU 286 HB2 0.08 -0.04 0.12 -0.04 1.64 1.75 2zr8A1 LEU 286 HB3 0.07 0.06 -0.19 -0.04 1.64 1.53 2zr8A1 LEU 286 HG 0.06 -0.01 0.05 -0.04 1.64 1.70 2zr8A1 LEU 286 HD13 0.05 0.05 0.12 -0.04 0.93 1.11 2zr8A1 LEU 286 HD23 0.04 -0.02 -0.26 -0.04 0.89 0.61 2zr8A1 SER 287 H 0.14 0.13 -0.20 -0.55 8.46 7.99 2zr8A1 SER 287 HA 0.22 0.09 0.15 -0.75 4.49 4.19 2zr8A1 SER 287 HB2 0.25 0.09 -0.22 -0.04 3.95 4.03 2zr8A1 SER 287 HB3 0.15 -0.15 -0.25 -0.04 3.93 3.65 2zr8A1 PHE 288 H 0.32 0.14 -0.32 -0.55 8.34 7.93 2zr8A1 PHE 288 HA -0.12 0.11 0.32 -0.75 4.62 4.18 2zr8A1 PHE 288 HB2 0.29 0.01 -0.05 -0.04 3.15 3.36 2zr8A1 PHE 288 HB3 0.05 0.04 -0.05 -0.04 3.06 3.05 2zr8A1 PHE 288 HD2 -0.28 -0.00 -0.11 -0.04 7.28 6.85 2zr8A1 PHE 288 HE2 -0.68 0.03 -0.13 -0.04 7.38 6.56 2zr8A1 PHE 288 HZ -0.35 0.01 -0.11 -0.04 7.32 6.84 2zr8A1 ALA 289 H 0.09 0.45 -0.26 -0.55 8.40 8.13 2zr8A1 ALA 289 HA -0.21 0.04 0.33 -0.75 4.34 3.74 2zr8A1 ALA 289 HB3 -0.02 -0.00 -0.05 -0.04 1.41 1.30 2zr8A1 ALA 290 H -0.01 0.50 -0.33 -0.55 8.40 8.02 2zr8A1 ALA 290 HA -0.05 0.03 0.33 -0.75 4.34 3.89 2zr8A1 ALA 290 HB3 0.12 0.02 -0.09 -0.04 1.41 1.42 2zr8A1 ALA 291 H -0.32 0.43 -0.18 -0.55 8.40 7.79 2zr8A1 ALA 291 HA -0.58 0.05 0.20 -0.75 4.34 3.25 2zr8A1 ALA 291 HB3 -0.80 0.02 -0.03 -0.04 1.41 0.55 2zr8A1 ARG 292 H -0.42 0.55 -0.32 -0.55 8.46 7.72 2zr8A1 ARG 292 HA -0.42 0.04 0.34 -0.75 4.34 3.55 2zr8A1 ARG 292 HB2 -0.36 0.08 0.07 -0.04 1.90 1.66 2zr8A1 ARG 292 HB3 -0.36 -0.04 -0.01 -0.04 1.80 1.35 2zr8A1 ARG 292 HG2 -0.99 -0.03 -0.04 -0.04 1.67 0.56 2zr8A1 ARG 292 HG3 -0.98 -0.00 -0.10 -0.04 1.67 0.54 2zr8A1 ARG 292 HD2 -0.34 0.02 -0.06 -0.04 3.22 2.80 2zr8A1 ARG 292 HD3 -1.19 -0.05 -0.10 -0.04 3.22 1.83 2zr8A1 ALA 293 H -0.21 0.38 -0.24 -0.55 8.40 7.79 2zr8A1 ALA 293 HA -0.15 -0.03 0.37 -0.75 4.34 3.77 2zr8A1 ALA 293 HB3 -0.10 0.01 0.13 -0.04 1.41 1.41 2zr8A1 MET 294 H -0.16 0.39 -0.63 -0.55 8.47 7.52 2zr8A1 MET 294 HA -0.10 0.15 0.89 -0.75 4.52 4.71 2zr8A1 MET 294 HB2 -0.05 -0.06 0.11 -0.04 2.15 2.12 2zr8A1 MET 294 HB3 -0.07 -0.02 -0.12 -0.04 2.03 1.78 2zr8A1 MET 294 HG2 0.03 0.08 -0.14 -0.04 2.63 2.57 2zr8A1 MET 294 HG3 0.04 0.04 -0.12 -0.04 2.56 2.49 2zr8A1 MET 294 HE3 -0.35 -0.02 -0.17 -0.04 2.10 1.52 2zr8A1 LYS 295 H -0.29 0.45 -0.15 -0.55 8.42 7.87 2zr8A1 LYS 295 HA -0.37 0.07 0.33 -0.75 4.32 3.60 2zr8A1 LYS 295 HB2 -0.70 0.05 0.01 -0.04 1.87 1.18 2zr8A1 LYS 295 HB3 -0.99 0.03 0.13 -0.04 1.79 0.92 2zr8A1 LYS 295 HG2 -0.31 0.09 0.08 -0.04 1.46 1.29 2zr8A1 LYS 295 HG3 -0.25 -0.06 -0.04 -0.04 1.46 1.07 2zr8A1 LYS 295 HD2 -0.22 -0.06 -0.01 -0.04 1.69 1.36 2zr8A1 LYS 295 HD3 -0.29 0.11 -0.04 -0.04 1.68 1.42 2zr8A1 LYS 295 HE2 -0.28 -0.05 -0.04 -0.04 2.99 2.58 2zr8A1 LYS 295 HE3 -0.79 -0.02 -0.07 -0.04 2.99 2.07 2zr8A1 GLU 296 H -0.15 0.09 -0.25 -0.55 8.60 7.74 2zr8A1 GLU 296 HA -0.08 0.08 0.31 -0.75 4.29 3.85 2zr8A1 GLU 296 HB2 -0.06 -0.01 -0.02 -0.04 2.09 1.97 2zr8A1 GLU 296 HB3 -0.05 0.02 0.02 -0.04 1.99 1.95 2zr8A1 GLU 296 HG2 -0.10 -0.02 0.03 -0.04 2.34 2.20 2zr8A1 GLU 296 HG3 -0.06 0.00 0.02 -0.04 2.34 2.25 2zr8A1 LYS 297 H -0.04 0.27 -0.39 -0.55 8.42 7.71 2zr8A1 LYS 297 HA 0.02 0.07 0.50 -0.75 4.32 4.15 2zr8A1 LYS 297 HB2 0.01 -0.09 0.05 -0.04 1.87 1.80 2zr8A1 LYS 297 HB3 0.02 0.18 0.07 -0.04 1.79 2.02 2zr8A1 LYS 297 HG2 0.10 0.05 -0.19 -0.04 1.46 1.38 2zr8A1 LYS 297 HG3 0.06 -0.02 0.04 -0.04 1.46 1.50 2zr8A1 LYS 297 HD2 0.05 -0.01 -0.09 -0.04 1.69 1.61 2zr8A1 LYS 297 HD3 0.17 -0.01 -0.08 -0.04 1.68 1.72 2zr8A1 LYS 297 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2zr8A1 LYS 297 HE3 -0.00 -0.04 -0.06 -0.04 2.99 2.85 2zr8A1 LEU 298 H 0.01 0.44 -0.25 -0.55 8.37 8.02 2zr8A1 LEU 298 HA 0.12 0.11 0.60 -0.75 4.35 4.43 2zr8A1 LEU 298 HB2 0.15 0.08 -0.02 -0.04 1.64 1.82 2zr8A1 LEU 298 HB3 0.20 -0.13 -0.02 -0.04 1.64 1.65 2zr8A1 LEU 298 HG 0.08 0.21 -0.09 -0.04 1.64 1.80 2zr8A1 LEU 298 HD13 0.13 -0.05 -0.16 -0.04 0.93 0.82 2zr8A1 LEU 298 HD23 0.33 -0.01 -0.26 -0.04 0.89 0.91 2zr8A1 LYS 299 H 0.02 0.19 -0.36 -0.55 8.42 7.72 2zr8A1 LYS 299 HA 0.05 0.25 0.42 -0.75 4.32 4.29 2zr8A1 LYS 299 HB2 -0.00 0.02 0.12 -0.04 1.87 1.97 2zr8A1 LYS 299 HB3 0.02 -0.03 0.07 -0.04 1.79 1.80 2zr8A1 LYS 299 HG2 0.02 -0.04 -0.08 -0.04 1.46 1.32 2zr8A1 LYS 299 HG3 0.02 0.06 0.12 -0.04 1.46 1.63 2zr8A1 LYS 299 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.64 2zr8A1 LYS 299 HD3 0.00 -0.07 0.01 -0.04 1.68 1.58 2zr8A1 LYS 299 HE2 -0.01 0.05 -0.04 -0.04 2.99 2.95 2zr8A1 LYS 299 HE3 -0.03 0.04 0.01 -0.04 2.99 2.97 2zr8A1 ASN 300 H 0.05 0.85 0.46 -0.55 8.53 9.35 2zr8A1 ASN 300 HA 0.05 -0.01 0.46 -0.75 4.76 4.50 2zr8A1 ASN 300 HB2 0.04 0.14 -0.10 -0.04 2.88 2.92 2zr8A1 ASN 300 HB3 0.04 -0.08 0.25 -0.04 2.79 2.96 2zr8A1 ASN 300 HD21 0.02 -0.06 -0.01 -0.04 7.03 6.95 2zr8A1 ASN 300 HD22 0.02 0.04 -0.14 -0.04 7.74 7.62 2zr8A1 LYS 301 H 0.08 0.29 0.06 -0.55 8.42 8.29 2zr8A1 LYS 301 HA 0.08 0.14 0.82 -0.75 4.32 4.60 2zr8A1 LYS 301 HB2 0.11 0.07 -0.10 -0.04 1.87 1.91 2zr8A1 LYS 301 HB3 0.10 -0.16 0.06 -0.04 1.79 1.76 2zr8A1 LYS 301 HG2 0.07 -0.03 -0.15 -0.04 1.46 1.30 2zr8A1 LYS 301 HG3 0.07 0.35 -0.83 -0.04 1.46 1.01 2zr8A1 LYS 301 HD2 0.07 0.10 -0.04 -0.04 1.69 1.77 2zr8A1 LYS 301 HD3 0.10 -0.15 0.03 -0.04 1.68 1.62 2zr8A1 LYS 301 HE2 0.11 -0.01 -0.04 -0.04 2.99 3.01 2zr8A1 LYS 301 HE3 0.11 -0.14 -0.06 -0.04 2.99 2.85 2zr8A1 ARG 302 H 0.11 0.16 0.20 -0.55 8.46 8.38 2zr8A1 ARG 302 HA 0.16 0.25 1.08 -0.75 4.34 5.07 2zr8A1 ARG 302 HB2 0.14 -0.11 0.26 -0.04 1.90 2.14 2zr8A1 ARG 302 HB3 0.29 0.10 0.09 -0.04 1.80 2.24 2zr8A1 ARG 302 HG2 0.13 -0.03 -0.22 -0.04 1.67 1.52 2zr8A1 ARG 302 HG3 0.10 0.01 -0.00 -0.04 1.67 1.74 2zr8A1 ARG 302 HD2 0.26 -0.04 -0.01 -0.04 3.22 3.39 2zr8A1 ARG 302 HD3 0.11 -0.02 -0.03 -0.04 3.22 3.24 2zr8A1 ILE 303 H 0.11 0.71 0.34 -0.55 8.25 8.86 2zr8A1 ILE 303 HA 0.17 0.21 1.19 -0.75 4.18 5.00 2zr8A1 ILE 303 HB 0.01 -0.05 -0.03 -0.04 1.89 1.78 2zr8A1 ILE 303 HG12 0.23 0.00 -0.17 -0.04 1.49 1.52 2zr8A1 ILE 303 HG13 0.26 0.01 -0.19 -0.04 1.21 1.25 2zr8A1 ILE 303 HG23 0.14 -0.03 -0.29 -0.04 0.93 0.72 2zr8A1 ILE 303 HD13 0.14 -0.05 -0.48 -0.04 0.88 0.45 2zr8A1 GLY 304 H 0.15 0.73 0.43 -0.55 8.43 9.20 2zr8A1 GLY 304 HA2 0.01 0.26 1.05 -0.51 4.01 4.82 2zr8A1 GLY 304 HA3 -0.02 0.02 0.38 -0.51 4.01 3.87 2zr8A1 ILE 305 H -0.16 0.85 0.35 -0.55 8.25 8.74 2zr8A1 ILE 305 HA 0.06 0.14 0.99 -0.75 4.18 4.61 2zr8A1 ILE 305 HB -0.67 -0.00 -0.02 -0.04 1.89 1.16 2zr8A1 ILE 305 HG12 -0.47 0.04 -0.46 -0.04 1.49 0.56 2zr8A1 ILE 305 HG13 -0.66 -0.02 -0.23 -0.04 1.21 0.26 2zr8A1 ILE 305 HG23 0.17 -0.03 -0.29 -0.04 0.93 0.74 2zr8A1 ILE 305 HD13 -0.11 0.03 -0.25 -0.04 0.88 0.50 2zr8A1 ILE 306 H 0.07 0.51 0.25 -0.55 8.25 8.53 2zr8A1 ILE 306 HA -0.00 0.15 0.80 -0.75 4.18 4.38 2zr8A1 ILE 306 HB -0.00 -0.10 0.30 -0.04 1.89 2.04 2zr8A1 ILE 306 HG12 -0.01 0.14 -0.03 -0.04 1.49 1.54 2zr8A1 ILE 306 HG13 -0.05 -0.06 -0.01 -0.04 1.21 1.05 2zr8A1 ILE 306 HG23 -0.09 -0.04 -0.14 -0.04 0.93 0.62 2zr8A1 ILE 306 HD13 -0.07 0.01 -0.10 -0.04 0.88 0.69 2zr8A1 ILE 307 H 0.00 0.82 0.29 -0.55 8.25 8.82 2zr8A1 ILE 307 HA 0.01 0.20 0.86 -0.75 4.18 4.50 2zr8A1 ILE 307 HB -0.13 -0.05 0.24 -0.04 1.89 1.91 2zr8A1 ILE 307 HG12 0.02 0.02 -0.15 -0.04 1.49 1.34 2zr8A1 ILE 307 HG13 0.11 0.08 -0.23 -0.04 1.21 1.12 2zr8A1 ILE 307 HG23 -0.30 0.00 -0.08 -0.04 0.93 0.50 2zr8A1 ILE 307 HD13 -0.33 0.01 -0.17 -0.04 0.88 0.35 2zr8A1 SER 308 H 0.04 0.24 0.06 -0.55 8.46 8.26 2zr8A1 SER 308 HA 0.14 0.09 0.43 -0.75 4.49 4.40 2zr8A1 SER 308 HB2 0.44 -0.09 0.06 -0.04 3.95 4.32 2zr8A1 SER 308 HB3 -0.00 0.03 0.10 -0.04 3.93 4.02 2zr8A1 GLY 309 H 0.04 0.19 0.00 -0.55 8.43 8.12 2zr8A1 GLY 309 HA2 0.03 0.35 0.51 -0.51 4.01 4.38 2zr8A1 GLY 309 HA3 0.06 -0.08 0.42 -0.51 4.01 3.90 2zr8A1 GLY 310 H -0.02 0.66 0.35 -0.55 8.43 8.87 2zr8A1 GLY 310 HA2 -0.07 -0.15 0.83 -0.51 4.01 4.11 2zr8A1 GLY 310 HA3 -0.09 0.30 0.41 -0.51 4.01 4.12 2zr8A1 ASN 311 H 0.00 0.02 0.05 -0.55 8.53 8.05 2zr8A1 ASN 311 HA -0.02 0.23 0.74 -0.75 4.76 4.95 2zr8A1 ASN 311 HB2 0.01 -0.14 0.14 -0.04 2.88 2.86 2zr8A1 ASN 311 HB3 0.00 -0.02 -0.05 -0.04 2.79 2.68 2zr8A1 ASN 311 HD21 0.02 0.57 0.14 -0.04 7.03 7.72 2zr8A1 ASN 311 HD22 0.01 -0.24 -0.02 -0.04 7.74 7.45 2zr8A1 VAL 312 H -0.04 0.44 0.20 -0.55 8.24 8.29 2zr8A1 VAL 312 HA 0.06 0.09 0.80 -0.75 4.13 4.32 2zr8A1 VAL 312 HB -0.04 0.10 -0.16 -0.04 2.12 1.98 2zr8A1 VAL 312 HG13 0.22 0.07 -0.01 -0.04 0.97 1.21 2zr8A1 VAL 312 HG23 0.09 0.00 -0.35 -0.04 0.95 0.66 2zr8A1 ASP 313 H 0.06 0.15 0.18 -0.55 8.40 8.24 2zr8A1 ASP 313 HA 0.01 0.15 0.71 -0.75 4.63 4.74 2zr8A1 ASP 313 HB2 0.01 0.01 0.26 -0.04 2.71 2.96 2zr8A1 ASP 313 HB3 0.00 0.03 0.13 -0.04 2.70 2.82 2zr8A1 ILE 314 H 0.02 0.26 0.20 -0.55 8.25 8.18 2zr8A1 ILE 314 HA 0.12 0.11 0.34 -0.75 4.18 4.00 2zr8A1 ILE 314 HB 0.03 -0.03 0.14 -0.04 1.89 1.99 2zr8A1 ILE 314 HG12 0.01 -0.03 0.15 -0.04 1.49 1.58 2zr8A1 ILE 314 HG13 0.02 0.09 0.06 -0.04 1.21 1.35 2zr8A1 ILE 314 HG23 0.08 0.03 -0.08 -0.04 0.93 0.92 2zr8A1 ILE 314 HD13 0.01 0.01 0.00 -0.04 0.88 0.87 2zr8A1 GLU 315 H 0.01 0.08 -0.16 -0.55 8.60 7.99 2zr8A1 GLU 315 HA 0.00 0.15 0.38 -0.75 4.29 4.07 2zr8A1 GLU 315 HB2 -0.03 -0.09 0.05 -0.04 2.09 1.98 2zr8A1 GLU 315 HB3 -0.04 0.10 0.02 -0.04 1.99 2.03 2zr8A1 GLU 315 HG2 -0.02 0.09 0.03 -0.04 2.34 2.40 2zr8A1 GLU 315 HG3 -0.00 0.07 0.03 -0.04 2.34 2.39 2zr8A1 ARG 316 H -0.02 0.02 -0.25 -0.55 8.46 7.65 2zr8A1 ARG 316 HA -0.22 0.11 0.46 -0.75 4.34 3.92 2zr8A1 ARG 316 HB2 -0.06 -0.07 0.16 -0.04 1.90 1.89 2zr8A1 ARG 316 HB3 -0.02 0.04 0.18 -0.04 1.80 1.96 2zr8A1 ARG 316 HG2 0.02 -0.05 0.07 -0.04 1.67 1.66 2zr8A1 ARG 316 HG3 -0.84 0.02 0.00 -0.04 1.67 0.81 2zr8A1 ARG 316 HD2 -0.22 0.05 0.06 -0.04 3.22 3.07 2zr8A1 ARG 316 HD3 -0.06 -0.01 0.06 -0.04 3.22 3.16 2zr8A1 TYR 317 H 0.13 0.59 -0.08 -0.55 8.29 8.38 2zr8A1 TYR 317 HA 0.15 -0.02 0.40 -0.75 4.56 4.35 2zr8A1 TYR 317 HB2 0.07 -0.09 -0.05 -0.04 3.06 2.95 2zr8A1 TYR 317 HB3 0.03 0.11 0.11 -0.04 2.98 3.19 2zr8A1 TYR 317 HD2 0.12 -0.03 -0.05 -0.04 7.15 7.16 2zr8A1 TYR 317 HE2 0.07 0.06 -0.03 -0.04 6.85 6.91 2zr8A1 ALA 318 H 0.06 0.69 -0.10 -0.55 8.40 8.51 2zr8A1 ALA 318 HA -0.12 0.04 0.37 -0.75 4.34 3.88 2zr8A1 ALA 318 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2zr8A1 HIS 319 H -0.02 0.36 -0.29 -0.55 8.41 7.92 2zr8A1 HIS 319 HA -0.08 0.05 0.39 -0.75 4.63 4.24 2zr8A1 HIS 319 HB2 -0.15 0.02 0.14 -0.04 3.26 3.24 2zr8A1 HIS 319 HB3 -0.38 0.13 0.21 -0.04 3.20 3.13 2zr8A1 HIS 319 HD2 -0.21 -0.06 -0.06 -0.04 6.97 6.60 2zr8A1 HIS 319 HE1 -0.00 0.01 -0.02 -0.04 7.75 7.70 2zr8A1 PHE 320 H -0.21 0.44 -0.10 -0.55 8.34 7.91 2zr8A1 PHE 320 HA -0.16 -0.02 0.46 -0.75 4.62 4.15 2zr8A1 PHE 320 HB2 -0.05 0.12 0.17 -0.04 3.15 3.35 2zr8A1 PHE 320 HB3 -0.02 -0.05 0.03 -0.04 3.06 2.98 2zr8A1 PHE 320 HD2 0.07 0.02 -0.01 -0.04 7.28 7.33 2zr8A1 PHE 320 HE2 0.12 -0.06 0.01 -0.04 7.38 7.41 2zr8A1 PHE 320 HZ 0.10 -0.05 0.05 -0.04 7.32 7.38 2zr8A1 LEU 321 H -0.12 0.53 -0.11 -0.55 8.37 8.13 2zr8A1 LEU 321 HA -0.07 -0.01 0.37 -0.75 4.35 3.89 2zr8A1 LEU 321 HB2 -0.19 0.12 0.12 -0.04 1.64 1.65 2zr8A1 LEU 321 HB3 -0.12 -0.01 0.03 -0.04 1.64 1.50 2zr8A1 LEU 321 HG -0.69 0.02 0.02 -0.04 1.64 0.95 2zr8A1 LEU 321 HD13 -0.41 -0.02 -0.06 -0.04 0.93 0.40 2zr8A1 LEU 321 HD23 -0.12 -0.00 -0.02 -0.04 0.89 0.70 2zr8A1 SER 322 H -0.09 0.23 -0.59 -0.55 8.46 7.47 2zr8A1 SER 322 HA -0.04 0.07 0.53 -0.75 4.49 4.29 2zr8A1 SER 322 HB2 -0.09 0.09 0.08 -0.04 3.95 3.99 2zr8A1 SER 322 HB3 -0.03 -0.09 0.09 -0.04 3.93 3.86 2zr8A1 GLN 323 H -0.07 0.38 -0.34 -0.55 8.47 7.89 2zr8A1 GLN 323 HA -0.05 0.07 0.32 -0.75 4.36 3.94 2zr8A1 GLN 323 HB2 -0.02 0.09 0.10 -0.04 2.15 2.28 2zr8A1 GLN 323 HB3 -0.02 -0.08 0.07 -0.04 2.02 1.95 2zr8A1 GLN 323 HG2 -0.09 0.15 0.16 -0.04 2.40 2.58 2zr8A1 GLN 323 HG3 -0.01 -0.15 0.05 -0.04 2.39 2.23 2zr8A1 GLN 323 HE21 -0.02 -0.01 -0.02 -0.04 6.97 6.88 2zr8A1 GLN 323 HE22 -0.02 -0.06 0.01 -0.04 7.69 7.58