============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 3 0.900 73.956 35.701 123.226 -99.200 -91.000 HIS 22 0.900 61.444 33.927 131.114 -99.200 -91.000 HIS 24 0.900 54.577 25.536 132.279 -99.200 -91.000 HIS 25 0.900 54.518 32.491 130.350 -99.200 -91.000 TYR 27 0.840 58.550 23.832 125.394 -99.200 -91.000 TRP 35 1.040 49.360 21.603 115.006 -99.200 -91.000 TRP6 35 1.020 48.215 19.995 113.702 -99.200 -91.000 TRP 36 1.040 56.777 19.705 121.350 -99.200 -91.000 TRP6 36 1.020 57.735 21.343 119.935 -99.200 -91.000 TYR 50 0.840 60.019 18.675 126.144 -99.200 -91.000 TRP 63 1.040 70.758 30.440 119.722 -99.200 -91.000 TRP6 63 1.020 70.929 28.993 117.865 -99.200 -91.000 TRP 89 1.040 58.828 26.880 113.753 -99.200 -91.000 TRP6 89 1.020 60.023 26.237 111.820 -99.200 -91.000 TRP 96 1.040 51.015 31.264 118.260 -99.200 -91.000 TRP6 96 1.020 49.403 29.596 117.794 -99.200 -91.000 HIS 98 0.900 52.753 39.762 117.792 -99.200 -91.000 TYR 100 0.840 57.411 38.682 117.910 -99.200 -91.000 HIS 111 0.900 74.656 29.867 113.492 -99.200 -91.000 TRP 124 1.040 61.677 15.594 109.341 -99.200 -91.000 TRP6 124 1.020 61.915 13.379 110.139 -99.200 -91.000 HIS 150 0.900 51.411 5.867 116.739 -99.200 -91.000 TYR 151 0.840 54.539 13.101 117.002 -99.200 -91.000 HIS 153 0.900 51.170 13.058 121.931 -99.200 -91.000 HIS 158 0.900 51.762 12.278 113.542 -99.200 -91.000 PHE 203 1.000 57.759 0.614 80.392 -99.200 -91.000 PHE 211 1.000 61.178 -3.909 80.833 -99.200 -91.000 TRP 219 1.040 48.961 10.045 92.522 -99.200 -91.000 TRP6 219 1.020 47.297 11.572 91.798 -99.200 -91.000 PHE 225 1.000 56.760 -4.276 91.709 -99.200 -91.000 HIS 242 0.900 60.783 -2.257 104.430 -99.200 -91.000 HIS 253 0.900 47.107 -10.102 106.952 -99.200 -91.000 TRP 272 1.040 61.536 -1.710 111.385 -99.200 -91.000 TRP6 272 1.020 62.490 -3.837 111.768 -99.200 -91.000 PHE 277 1.000 50.903 -7.220 104.788 -99.200 -91.000 HIS 285 0.900 61.626 -12.330 92.382 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zw5B1 THR 9 HA 0.09 -0.10 0.24 -0.75 4.39 3.86 2zw5B1 THR 9 HB 0.02 -0.03 0.11 -0.04 4.32 4.37 2zw5B1 THR 9 HG23 0.05 -0.01 -0.06 -0.04 1.22 1.16 2zw5B1 ALA 10 H 0.32 0.08 0.05 -0.55 8.40 8.31 2zw5B1 ALA 10 HA 0.22 0.18 0.83 -0.75 4.34 4.81 2zw5B1 ALA 10 HB3 0.10 -0.02 0.05 -0.04 1.41 1.50 2zw5B1 HIS 11 H 0.18 0.16 0.17 -0.55 8.41 8.38 2zw5B1 HIS 11 HA 0.11 0.28 1.09 -0.75 4.63 5.35 2zw5B1 HIS 11 HB2 0.01 -0.06 0.08 -0.04 3.26 3.25 2zw5B1 HIS 11 HB3 -0.02 0.02 -0.08 -0.04 3.20 3.08 2zw5B1 HIS 11 HD2 0.09 -0.08 -0.40 -0.04 6.97 6.54 2zw5B1 HIS 11 HE1 0.06 -0.04 -0.03 -0.04 7.75 7.69 2zw5B1 LEU 12 H -0.23 0.69 0.30 -0.55 8.37 8.58 2zw5B1 LEU 12 HA -0.24 0.17 0.85 -0.75 4.35 4.37 2zw5B1 LEU 12 HB2 -0.58 -0.05 0.13 -0.04 1.64 1.10 2zw5B1 LEU 12 HB3 -0.35 -0.04 -0.10 -0.04 1.64 1.11 2zw5B1 LEU 12 HG -0.98 -0.04 -0.17 -0.04 1.64 0.40 2zw5B1 LEU 12 HD13 -0.37 0.02 -0.11 -0.04 0.93 0.43 2zw5B1 LEU 12 HD23 -1.45 0.01 -0.35 -0.04 0.89 -0.93 2zw5B1 ARG 13 H -0.11 0.26 0.14 -0.55 8.46 8.20 2zw5B1 ARG 13 HA -0.05 0.16 1.07 -0.75 4.34 4.76 2zw5B1 ARG 13 HB2 -0.03 -0.02 -0.05 -0.04 1.90 1.76 2zw5B1 ARG 13 HB3 -0.04 0.00 0.06 -0.04 1.80 1.78 2zw5B1 ARG 13 HG2 -0.02 -0.01 -0.03 -0.04 1.67 1.57 2zw5B1 ARG 13 HG3 -0.02 0.10 0.12 -0.04 1.67 1.82 2zw5B1 ARG 13 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.13 2zw5B1 ARG 13 HD3 0.01 0.01 -0.07 -0.04 3.22 3.13 2zw5B1 THR 14 H -0.05 0.70 0.24 -0.55 8.28 8.62 2zw5B1 THR 14 HA -0.05 0.27 0.98 -0.75 4.39 4.84 2zw5B1 THR 14 HB -0.04 -0.05 0.06 -0.04 4.32 4.25 2zw5B1 THR 14 HG23 -0.08 0.02 -0.27 -0.04 1.22 0.85 2zw5B1 ALA 15 H -0.02 0.18 0.09 -0.55 8.40 8.09 2zw5B1 ALA 15 HA -0.01 0.14 0.41 -0.75 4.34 4.12 2zw5B1 ALA 15 HB3 -0.01 0.01 0.17 -0.04 1.41 1.54 2zw5B1 ARG 16 H -0.02 0.64 -0.87 -0.55 8.46 7.66 2zw5B1 ARG 16 HA 0.00 0.05 0.38 -0.75 4.34 4.02 2zw5B1 ARG 16 HB2 0.03 -0.03 -0.53 -0.04 1.90 1.34 2zw5B1 ARG 16 HB3 0.04 -0.08 -0.06 -0.04 1.80 1.65 2zw5B1 ARG 16 HG2 0.08 -0.09 0.05 -0.04 1.67 1.68 2zw5B1 ARG 16 HG3 0.04 0.04 0.22 -0.04 1.67 1.93 2zw5B1 ARG 16 HD2 0.05 0.00 0.08 -0.04 3.22 3.31 2zw5B1 ARG 16 HD3 0.06 -0.01 -0.01 -0.04 3.22 3.22 2zw5B1 LEU 17 H -0.03 0.00 -0.06 -0.55 8.37 7.74 2zw5B1 LEU 17 HA -0.08 0.38 0.82 -0.75 4.35 4.71 2zw5B1 LEU 17 HB2 -0.08 -0.01 -0.13 -0.04 1.64 1.38 2zw5B1 LEU 17 HB3 -0.16 0.02 -0.09 -0.04 1.64 1.37 2zw5B1 LEU 17 HG -0.04 -0.07 -0.05 -0.04 1.64 1.44 2zw5B1 LEU 17 HD13 -0.05 -0.01 -0.17 -0.04 0.93 0.66 2zw5B1 LEU 17 HD23 -0.05 -0.00 -0.10 -0.04 0.89 0.70 2zw5B1 GLU 18 H -0.06 0.35 0.22 -0.55 8.60 8.57 2zw5B1 GLU 18 HA -0.04 0.19 0.94 -0.75 4.29 4.63 2zw5B1 GLU 18 HB2 -0.02 0.02 0.01 -0.04 2.09 2.06 2zw5B1 GLU 18 HB3 0.02 -0.03 0.11 -0.04 1.99 2.05 2zw5B1 GLU 18 HG2 0.01 0.05 0.15 -0.04 2.34 2.50 2zw5B1 GLU 18 HG3 0.01 -0.01 -0.02 -0.04 2.34 2.27 2zw5B1 LEU 19 H -0.11 0.59 0.22 -0.55 8.37 8.53 2zw5B1 LEU 19 HA 0.02 0.20 0.79 -0.75 4.35 4.60 2zw5B1 LEU 19 HB2 -0.32 -0.02 0.11 -0.04 1.64 1.37 2zw5B1 LEU 19 HB3 -0.31 0.04 -0.11 -0.04 1.64 1.22 2zw5B1 LEU 19 HG 0.07 0.05 -0.21 -0.04 1.64 1.51 2zw5B1 LEU 19 HD13 -0.05 -0.02 -0.24 -0.04 0.93 0.58 2zw5B1 LEU 19 HD23 -0.19 -0.01 -0.08 -0.04 0.89 0.57 2zw5B1 THR 20 H 0.12 0.56 0.29 -0.55 8.28 8.71 2zw5B1 THR 20 HA -0.28 0.25 1.03 -0.75 4.39 4.64 2zw5B1 THR 20 HB -0.03 0.05 0.03 -0.04 4.32 4.33 2zw5B1 THR 20 HG23 0.08 0.04 -0.19 -0.04 1.22 1.11 2zw5B1 PRO 21 HA -0.38 0.26 0.59 -0.51 4.44 4.39 2zw5B1 PRO 21 HB2 -0.03 -0.05 0.07 -0.04 2.28 2.24 2zw5B1 PRO 21 HB3 -0.14 0.08 0.11 -0.04 2.02 2.03 2zw5B1 PRO 21 HG2 0.06 0.01 -0.03 -0.04 2.03 2.02 2zw5B1 PRO 21 HG3 0.07 0.10 0.09 -0.04 2.03 2.25 2zw5B1 PRO 21 HD2 -0.50 -0.00 0.19 -0.04 3.68 3.32 2zw5B1 PRO 21 HD3 0.02 0.30 0.31 -0.04 3.65 4.23 2zw5B1 LEU 22 H -0.17 0.55 0.23 -0.55 8.37 8.44 2zw5B1 LEU 22 HA 0.03 -0.07 0.37 -0.75 4.35 3.92 2zw5B1 LEU 22 HB2 -0.00 -0.05 -0.17 -0.04 1.64 1.38 2zw5B1 LEU 22 HB3 -0.06 0.09 0.02 -0.04 1.64 1.65 2zw5B1 LEU 22 HG 0.01 -0.08 -0.33 -0.04 1.64 1.21 2zw5B1 LEU 22 HD13 0.08 -0.02 -0.15 -0.04 0.93 0.80 2zw5B1 LEU 22 HD23 0.01 0.00 -0.14 -0.04 0.89 0.73 2zw5B1 ASP 23 H 0.04 0.05 0.05 -0.55 8.40 7.99 2zw5B1 ASP 23 HA 0.00 0.31 0.86 -0.75 4.63 5.05 2zw5B1 ASP 23 HB2 0.03 0.26 -0.00 -0.04 2.71 2.96 2zw5B1 ASP 23 HB3 0.05 -0.17 0.25 -0.04 2.70 2.78 2zw5B1 PRO 24 HA -0.01 0.01 0.30 -0.51 4.44 4.23 2zw5B1 PRO 24 HB2 -0.02 0.01 0.04 -0.04 2.28 2.27 2zw5B1 PRO 24 HB3 -0.02 0.10 0.04 -0.04 2.02 2.11 2zw5B1 PRO 24 HG2 -0.02 0.11 0.02 -0.04 2.03 2.10 2zw5B1 PRO 24 HG3 -0.02 0.11 -0.26 -0.04 2.03 1.82 2zw5B1 PRO 24 HD2 -0.01 0.21 0.12 -0.04 3.68 3.96 2zw5B1 PRO 24 HD3 -0.01 0.20 -0.35 -0.04 3.65 3.45 2zw5B1 ALA 25 H -0.01 0.14 -0.21 -0.55 8.40 7.78 2zw5B1 ALA 25 HA -0.03 0.11 0.57 -0.75 4.34 4.23 2zw5B1 ALA 25 HB3 -0.01 0.02 0.04 -0.04 1.41 1.42 2zw5B1 ALA 26 H 0.01 0.14 -0.06 -0.55 8.40 7.95 2zw5B1 ALA 26 HA 0.01 0.13 0.62 -0.75 4.34 4.35 2zw5B1 ALA 26 HB3 0.05 0.01 0.11 -0.04 1.41 1.54 2zw5B1 ASP 27 H 0.04 0.77 0.12 -0.55 8.40 8.78 2zw5B1 ASP 27 HA 0.18 0.14 0.69 -0.75 4.63 4.89 2zw5B1 ASP 27 HB2 0.08 -0.00 -0.09 -0.04 2.71 2.66 2zw5B1 ASP 27 HB3 0.18 -0.03 0.06 -0.04 2.70 2.88 2zw5B1 ALA 28 H -0.03 0.38 -0.33 -0.55 8.40 7.88 2zw5B1 ALA 28 HA -0.02 -0.04 0.23 -0.75 4.34 3.76 2zw5B1 ALA 28 HB3 -0.06 0.14 0.12 -0.04 1.41 1.58 2zw5B1 ARG 29 H -0.22 0.22 -0.55 -0.55 8.46 7.35 2zw5B1 ARG 29 HA -0.16 0.04 0.41 -0.75 4.34 3.88 2zw5B1 ARG 29 HB2 -0.26 0.11 0.06 -0.04 1.90 1.77 2zw5B1 ARG 29 HB3 -0.54 0.03 0.00 -0.04 1.80 1.26 2zw5B1 ARG 29 HG2 -0.13 -0.04 0.03 -0.04 1.67 1.49 2zw5B1 ARG 29 HG3 -0.11 0.03 0.01 -0.04 1.67 1.57 2zw5B1 ARG 29 HD2 -0.05 0.02 -0.19 -0.04 3.22 2.96 2zw5B1 ARG 29 HD3 -0.11 -0.04 0.03 -0.04 3.22 3.06 2zw5B1 HIS 30 H -0.59 0.22 -0.07 -0.55 8.41 7.42 2zw5B1 HIS 30 HA 0.35 0.12 0.61 -0.75 4.63 4.95 2zw5B1 HIS 30 HB2 0.11 0.03 0.08 -0.04 3.26 3.44 2zw5B1 HIS 30 HB3 0.14 0.01 0.12 -0.04 3.20 3.43 2zw5B1 HIS 30 HD2 0.09 0.01 -0.01 -0.04 6.97 7.01 2zw5B1 HIS 30 HE1 0.04 0.06 -0.01 -0.04 7.75 7.79 2zw5B1 LEU 31 H 0.16 0.64 0.03 -0.55 8.37 8.65 2zw5B1 LEU 31 HA 0.18 0.06 0.35 -0.75 4.35 4.19 2zw5B1 LEU 31 HB2 0.14 0.07 -0.08 -0.04 1.64 1.73 2zw5B1 LEU 31 HB3 0.33 -0.06 -0.01 -0.04 1.64 1.86 2zw5B1 LEU 31 HG 0.19 0.19 0.04 -0.04 1.64 2.01 2zw5B1 LEU 31 HD13 0.15 -0.01 -0.16 -0.04 0.93 0.86 2zw5B1 LEU 31 HD23 0.16 0.00 -0.15 -0.04 0.89 0.86 2zw5B1 HIS 32 H 0.10 0.45 -0.56 -0.55 8.41 7.85 2zw5B1 HIS 32 HA 0.04 -0.07 0.34 -0.75 4.63 4.19 2zw5B1 HIS 32 HB2 -0.09 0.11 0.14 -0.04 3.26 3.37 2zw5B1 HIS 32 HB3 -0.19 0.21 0.04 -0.04 3.20 3.22 2zw5B1 HIS 32 HD2 -0.18 0.06 -0.17 -0.04 6.97 6.63 2zw5B1 HIS 32 HE1 -0.06 0.23 -0.68 -0.04 7.75 7.20 2zw5B1 HIS 33 H 0.05 0.58 -0.58 -0.55 8.41 7.91 2zw5B1 HIS 33 HA -0.05 0.03 0.34 -0.75 4.63 4.19 2zw5B1 HIS 33 HB2 0.03 0.29 0.16 -0.04 3.26 3.70 2zw5B1 HIS 33 HB3 -0.02 -0.16 0.08 -0.04 3.20 3.06 2zw5B1 HIS 33 HD2 0.01 -0.05 0.06 -0.04 6.97 6.94 2zw5B1 HIS 33 HE1 0.09 -0.04 0.03 -0.04 7.75 7.79 2zw5B1 ALA 34 H -0.04 0.52 -0.49 -0.55 8.40 7.85 2zw5B1 ALA 34 HA -0.14 0.06 0.85 -0.75 4.34 4.36 2zw5B1 ALA 34 HB3 -0.24 0.02 -0.11 -0.04 1.41 1.04 2zw5B1 TYR 35 H -0.14 0.39 0.12 -0.55 8.29 8.11 2zw5B1 TYR 35 HA -0.42 0.10 0.35 -0.75 4.56 3.84 2zw5B1 TYR 35 HB2 -0.25 -0.01 0.05 -0.04 3.06 2.81 2zw5B1 TYR 35 HB3 -0.37 -0.06 0.05 -0.04 2.98 2.56 2zw5B1 TYR 35 HD2 -0.48 0.09 -0.11 -0.04 7.15 6.61 2zw5B1 TYR 35 HE2 -0.24 -0.01 -0.08 -0.04 6.85 6.47 2zw5B1 GLY 36 H -0.43 0.56 -0.32 -0.55 8.43 7.69 2zw5B1 GLY 36 HA2 -0.26 0.27 0.58 -0.51 4.01 4.09 2zw5B1 GLY 36 HA3 -0.75 0.05 0.23 -0.51 4.01 3.03 2zw5B1 ASP 37 H -0.22 0.31 -0.51 -0.55 8.40 7.42 2zw5B1 ASP 37 HA -0.12 0.06 0.64 -0.75 4.63 4.46 2zw5B1 ASP 37 HB2 -0.14 0.27 0.20 -0.04 2.71 3.00 2zw5B1 ASP 37 HB3 -0.14 -0.02 0.26 -0.04 2.70 2.77 2zw5B1 GLU 38 H -0.08 0.23 0.22 -0.55 8.60 8.42 2zw5B1 GLU 38 HA -0.08 0.11 0.42 -0.75 4.29 3.99 2zw5B1 GLU 38 HB2 -0.06 0.06 0.09 -0.04 2.09 2.14 2zw5B1 GLU 38 HB3 -0.06 0.07 0.17 -0.04 1.99 2.13 2zw5B1 GLU 38 HG2 -0.05 0.01 0.04 -0.04 2.34 2.30 2zw5B1 GLU 38 HG3 -0.05 0.02 -0.30 -0.04 2.34 1.96 2zw5B1 GLU 39 H -0.07 0.09 -0.05 -0.55 8.60 8.02 2zw5B1 GLU 39 HA -0.03 0.13 0.42 -0.75 4.29 4.06 2zw5B1 GLU 39 HB2 -0.07 -0.00 0.13 -0.04 2.09 2.11 2zw5B1 GLU 39 HB3 -0.13 -0.01 0.02 -0.04 1.99 1.84 2zw5B1 GLU 39 HG2 0.07 0.01 0.09 -0.04 2.34 2.47 2zw5B1 GLU 39 HG3 -0.01 0.03 0.07 -0.04 2.34 2.40 2zw5B1 VAL 40 H -0.05 0.15 -0.48 -0.55 8.24 7.31 2zw5B1 VAL 40 HA 0.34 0.11 0.72 -0.75 4.13 4.55 2zw5B1 VAL 40 HB -0.10 0.31 0.16 -0.04 2.12 2.45 2zw5B1 VAL 40 HG13 0.07 -0.02 0.01 -0.04 0.97 0.99 2zw5B1 VAL 40 HG23 -0.06 -0.06 0.11 -0.04 0.95 0.90 2zw5B1 MET 41 H -0.05 0.33 -0.09 -0.55 8.47 8.11 2zw5B1 MET 41 HA 0.04 0.09 0.71 -0.75 4.52 4.60 2zw5B1 MET 41 HB2 -0.07 -0.04 0.08 -0.04 2.15 2.08 2zw5B1 MET 41 HB3 -0.02 0.10 0.10 -0.04 2.03 2.17 2zw5B1 MET 41 HG2 -0.22 0.21 0.00 -0.04 2.63 2.58 2zw5B1 MET 41 HG3 -0.18 0.03 -0.02 -0.04 2.56 2.35 2zw5B1 MET 41 HE3 -0.23 0.01 -0.08 -0.04 2.10 1.75 2zw5B1 ARG 42 H -0.00 0.16 -0.44 -0.55 8.46 7.63 2zw5B1 ARG 42 HA -0.11 0.08 0.36 -0.75 4.34 3.92 2zw5B1 ARG 42 HB2 -0.46 -0.02 0.05 -0.04 1.90 1.43 2zw5B1 ARG 42 HB3 -0.18 0.07 0.11 -0.04 1.80 1.76 2zw5B1 ARG 42 HG2 -0.09 0.14 -0.02 -0.04 1.67 1.65 2zw5B1 ARG 42 HG3 -1.37 -0.03 -0.19 -0.04 1.67 0.03 2zw5B1 ARG 42 HD2 -0.67 -0.05 -0.03 -0.04 3.22 2.42 2zw5B1 ARG 42 HD3 -0.21 -0.03 0.04 -0.04 3.22 2.97 2zw5B1 TRP 43 H 0.23 0.10 -0.33 -0.55 7.97 7.42 2zw5B1 TRP 43 HA 0.12 0.19 0.75 -0.75 4.62 4.93 2zw5B1 TRP 43 HB2 0.17 0.03 0.01 -0.04 3.23 3.40 2zw5B1 TRP 43 HB3 0.09 -0.05 0.14 -0.04 3.23 3.37 2zw5B1 TRP 43 HD1 0.13 0.06 0.00 -0.04 7.22 7.37 2zw5B1 TRP 43 HE1 0.09 -0.00 -0.02 -0.04 10.20 10.23 2zw5B1 TRP 43 HE3 0.00 0.09 0.04 -0.04 7.59 7.68 2zw5B1 TRP 43 HZ2 0.05 0.03 -0.10 -0.04 7.44 7.38 2zw5B1 TRP 43 HZ3 -0.01 0.01 -0.00 -0.04 7.13 7.08 2zw5B1 TRP 43 HH2 0.03 0.02 -0.04 -0.04 7.19 7.16 2zw5B1 TRP 44 H 0.43 0.16 -0.47 -0.55 7.97 7.54 2zw5B1 TRP 44 HA 0.10 0.00 0.40 -0.75 4.62 4.37 2zw5B1 TRP 44 HB2 0.02 -0.10 0.18 -0.04 3.23 3.29 2zw5B1 TRP 44 HB3 -0.01 0.39 0.05 -0.04 3.23 3.62 2zw5B1 TRP 44 HD1 0.06 0.03 0.04 -0.04 7.22 7.32 2zw5B1 TRP 44 HE1 0.43 0.01 -0.02 -0.04 10.20 10.58 2zw5B1 TRP 44 HE3 0.05 0.00 -0.04 -0.04 7.59 7.57 2zw5B1 TRP 44 HZ2 0.25 -0.00 -0.07 -0.04 7.44 7.57 2zw5B1 TRP 44 HZ3 -0.04 0.13 0.01 -0.04 7.13 7.19 2zw5B1 TRP 44 HH2 0.05 -0.11 -0.10 -0.04 7.19 6.99 2zw5B1 THR 45 H -1.13 0.03 0.16 -0.55 8.28 6.80 2zw5B1 THR 45 HA -1.44 0.13 0.52 -0.75 4.39 2.85 2zw5B1 THR 45 HB -0.55 0.02 0.08 -0.04 4.32 3.83 2zw5B1 THR 45 HG23 -0.77 -0.00 0.07 -0.04 1.22 0.48 2zw5B1 ARG 46 H 0.29 0.01 -0.00 -0.55 8.46 8.20 2zw5B1 ARG 46 HA 0.15 0.18 0.81 -0.75 4.34 4.72 2zw5B1 ARG 46 HB2 0.45 -0.12 0.00 -0.04 1.90 2.19 2zw5B1 ARG 46 HB3 0.23 0.16 -0.01 -0.04 1.80 2.14 2zw5B1 ARG 46 HG2 0.15 0.00 0.02 -0.04 1.67 1.80 2zw5B1 ARG 46 HG3 0.12 0.08 -0.06 -0.04 1.67 1.76 2zw5B1 ARG 46 HD2 0.26 -0.06 -0.06 -0.04 3.22 3.32 2zw5B1 ARG 46 HD3 0.11 -0.01 -0.03 -0.04 3.22 3.25 2zw5B1 PRO 47 HA -0.21 0.11 0.45 -0.51 4.44 4.28 2zw5B1 PRO 47 HB2 -0.07 0.08 -0.03 -0.04 2.28 2.21 2zw5B1 PRO 47 HB3 -0.17 0.02 0.07 -0.04 2.02 1.90 2zw5B1 PRO 47 HG2 -0.04 0.02 0.06 -0.04 2.03 2.03 2zw5B1 PRO 47 HG3 -0.31 0.06 0.04 -0.04 2.03 1.78 2zw5B1 PRO 47 HD2 0.02 0.07 0.15 -0.04 3.68 3.88 2zw5B1 PRO 47 HD3 -0.02 0.11 0.21 -0.04 3.65 3.91 2zw5B1 ALA 48 H -0.09 0.03 0.07 -0.55 8.40 7.87 2zw5B1 ALA 48 HA -0.12 0.08 0.37 -0.75 4.34 3.91 2zw5B1 ALA 48 HB3 -0.10 -0.01 -0.17 -0.04 1.41 1.08 2zw5B1 CYS 49 H -0.10 0.56 0.13 -0.55 8.50 8.54 2zw5B1 CYS 49 HA -0.00 0.06 0.52 -0.75 4.58 4.40 2zw5B1 CYS 49 HB2 0.01 -0.04 -0.14 -0.04 2.97 2.76 2zw5B1 CYS 49 HB3 0.05 -0.14 -0.11 -0.04 2.97 2.73 2zw5B1 ALA 50 H 0.03 0.12 0.17 -0.55 8.40 8.17 2zw5B1 ALA 50 HA 0.04 0.14 0.37 -0.75 4.34 4.13 2zw5B1 ALA 50 HB3 0.01 -0.01 0.11 -0.04 1.41 1.49 2zw5B1 ASP 51 H 0.03 0.00 -0.00 -0.55 8.40 7.88 2zw5B1 ASP 51 HA -0.18 0.39 0.92 -0.75 4.63 5.00 2zw5B1 ASP 51 HB2 -0.14 -0.01 0.13 -0.04 2.71 2.64 2zw5B1 ASP 51 HB3 -0.07 0.18 -0.05 -0.04 2.70 2.71 2zw5B1 PRO 52 HA -0.37 0.11 0.41 -0.51 4.44 4.08 2zw5B1 PRO 52 HB2 -0.23 0.03 -0.06 -0.04 2.28 1.98 2zw5B1 PRO 52 HB3 -0.28 0.14 0.08 -0.04 2.02 1.91 2zw5B1 PRO 52 HG2 -0.29 0.08 0.08 -0.04 2.03 1.86 2zw5B1 PRO 52 HG3 -0.71 0.11 0.08 -0.04 2.03 1.47 2zw5B1 PRO 52 HD2 -0.28 0.09 0.21 -0.04 3.68 3.66 2zw5B1 PRO 52 HD3 -0.53 0.26 0.24 -0.04 3.65 3.58 2zw5B1 ALA 53 H -0.16 0.07 -0.46 -0.55 8.40 7.31 2zw5B1 ALA 53 HA -0.07 0.17 0.50 -0.75 4.34 4.18 2zw5B1 ALA 53 HB3 -0.06 0.03 0.02 -0.04 1.41 1.36 2zw5B1 GLU 54 H -0.05 0.10 -0.11 -0.55 8.60 7.99 2zw5B1 GLU 54 HA 0.00 0.12 0.44 -0.75 4.29 4.10 2zw5B1 GLU 54 HB2 0.01 0.02 0.14 -0.04 2.09 2.21 2zw5B1 GLU 54 HB3 0.02 -0.02 0.15 -0.04 1.99 2.10 2zw5B1 GLU 54 HG2 0.05 0.02 -0.22 -0.04 2.34 2.15 2zw5B1 GLU 54 HG3 0.05 0.05 0.05 -0.04 2.34 2.44 2zw5B1 THR 55 H 0.01 0.58 -0.14 -0.55 8.28 8.17 2zw5B1 THR 55 HA -0.12 0.04 0.31 -0.75 4.39 3.87 2zw5B1 THR 55 HB 0.04 0.13 0.06 -0.04 4.32 4.52 2zw5B1 THR 55 HG23 -0.18 -0.02 -0.17 -0.04 1.22 0.81 2zw5B1 GLU 56 H -0.04 0.26 -0.60 -0.55 8.60 7.68 2zw5B1 GLU 56 HA -0.04 0.04 0.49 -0.75 4.29 4.02 2zw5B1 GLU 56 HB2 -0.05 0.11 0.15 -0.04 2.09 2.26 2zw5B1 GLU 56 HB3 -0.04 0.13 0.14 -0.04 1.99 2.18 2zw5B1 GLU 56 HG2 -0.03 -0.07 -0.23 -0.04 2.34 1.97 2zw5B1 GLU 56 HG3 -0.03 0.24 -0.35 -0.04 2.34 2.16 2zw5B1 ARG 57 H -0.01 0.46 -0.10 -0.55 8.46 8.26 2zw5B1 ARG 57 HA -0.01 0.01 0.40 -0.75 4.34 3.98 2zw5B1 ARG 57 HB2 0.01 0.06 0.27 -0.04 1.90 2.20 2zw5B1 ARG 57 HB3 0.01 -0.01 -0.01 -0.04 1.80 1.75 2zw5B1 ARG 57 HG2 -0.01 -0.01 0.04 -0.04 1.67 1.65 2zw5B1 ARG 57 HG3 -0.01 0.03 0.05 -0.04 1.67 1.69 2zw5B1 ARG 57 HD2 0.00 0.00 0.01 -0.04 3.22 3.19 2zw5B1 ARG 57 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.16 2zw5B1 TYR 58 H 0.09 0.73 -0.12 -0.55 8.29 8.45 2zw5B1 TYR 58 HA -0.04 0.04 0.41 -0.75 4.56 4.21 2zw5B1 TYR 58 HB2 -0.06 0.01 0.03 -0.04 3.06 3.00 2zw5B1 TYR 58 HB3 -0.19 0.05 0.11 -0.04 2.98 2.90 2zw5B1 TYR 58 HD2 -0.11 0.02 -0.27 -0.04 7.15 6.76 2zw5B1 TYR 58 HE2 0.24 0.00 -0.08 -0.04 6.85 6.97 2zw5B1 LEU 59 H 0.03 0.57 -0.22 -0.55 8.37 8.20 2zw5B1 LEU 59 HA 0.05 -0.00 0.36 -0.75 4.35 4.00 2zw5B1 LEU 59 HB2 -0.04 0.10 0.25 -0.04 1.64 1.91 2zw5B1 LEU 59 HB3 -0.02 -0.10 -0.05 -0.04 1.64 1.43 2zw5B1 LEU 59 HG -0.30 0.02 0.01 -0.04 1.64 1.33 2zw5B1 LEU 59 HD13 -0.08 -0.03 -0.19 -0.04 0.93 0.59 2zw5B1 LEU 59 HD23 0.01 -0.03 -0.09 -0.04 0.89 0.74 2zw5B1 THR 60 H -0.02 0.59 -0.13 -0.55 8.28 8.17 2zw5B1 THR 60 HA -0.03 0.03 0.44 -0.75 4.39 4.07 2zw5B1 THR 60 HB -0.03 0.03 -0.04 -0.04 4.32 4.23 2zw5B1 THR 60 HG23 -0.02 -0.03 0.04 -0.04 1.22 1.16 2zw5B1 SER 61 H -0.07 0.41 -0.23 -0.55 8.46 8.03 2zw5B1 SER 61 HA -0.07 0.02 0.38 -0.75 4.49 4.06 2zw5B1 SER 61 HB2 -0.20 0.16 0.19 -0.04 3.95 4.06 2zw5B1 SER 61 HB3 -0.14 -0.04 0.00 -0.04 3.93 3.71 2zw5B1 CYS 62 H -0.12 0.46 -0.15 -0.55 8.50 8.14 2zw5B1 CYS 62 HA -0.09 -0.03 0.34 -0.75 4.58 4.05 2zw5B1 CYS 62 HB2 0.01 0.16 0.12 -0.04 2.97 3.22 2zw5B1 CYS 62 HB3 0.04 -0.05 -0.08 -0.04 2.97 2.83 2zw5B1 ALA 63 H -0.04 0.37 -0.24 -0.55 8.40 7.95 2zw5B1 ALA 63 HA -0.07 0.05 0.45 -0.75 4.34 4.02 2zw5B1 ALA 63 HB3 -0.05 -0.01 0.11 -0.04 1.41 1.43 2zw5B1 ALA 64 H -0.05 0.45 -0.14 -0.55 8.40 8.10 2zw5B1 ALA 64 HA -0.04 -0.03 0.38 -0.75 4.34 3.89 2zw5B1 ALA 64 HB3 -0.04 -0.00 0.12 -0.04 1.41 1.44 2zw5B1 ALA 65 H -0.06 0.28 -0.34 -0.55 8.40 7.73 2zw5B1 ALA 65 HA -0.05 -0.04 0.30 -0.75 4.34 3.79 2zw5B1 ALA 65 HB3 -0.06 0.00 0.09 -0.04 1.41 1.40 2zw5B1 PRO 66 HA -0.03 0.12 0.41 -0.51 4.44 4.43 2zw5B1 PRO 66 HB2 -0.04 -0.52 0.26 -0.04 2.28 1.94 2zw5B1 PRO 66 HB3 -0.03 0.10 0.15 -0.04 2.02 2.20 2zw5B1 PRO 66 HG2 -0.04 -0.03 -0.02 -0.04 2.03 1.90 2zw5B1 PRO 66 HG3 -0.03 0.09 0.10 -0.04 2.03 2.14 2zw5B1 PRO 66 HD2 -0.05 0.10 0.04 -0.04 3.68 3.73 2zw5B1 PRO 66 HD3 -0.04 0.17 0.14 -0.04 3.65 3.89 2zw5B1 GLY 67 H -0.04 -0.20 0.10 -0.55 8.43 7.75 2zw5B1 GLY 67 HA2 -0.03 0.26 0.71 -0.51 4.01 4.44 2zw5B1 GLY 67 HA3 -0.03 -0.02 0.38 -0.51 4.01 3.83 2zw5B1 ALA 68 H -0.06 0.45 -0.72 -0.55 8.40 7.53 2zw5B1 ALA 68 HA -0.07 0.19 0.21 -0.75 4.34 3.92 2zw5B1 ALA 68 HB3 -0.07 -0.01 0.06 -0.04 1.41 1.36 2zw5B1 ARG 69 H -0.11 0.34 0.27 -0.55 8.46 8.41 2zw5B1 ARG 69 HA -0.40 0.16 0.81 -0.75 4.34 4.16 2zw5B1 ARG 69 HB2 -0.12 -0.08 0.29 -0.04 1.90 1.95 2zw5B1 ARG 69 HB3 -0.49 -0.05 0.09 -0.04 1.80 1.32 2zw5B1 ARG 69 HG2 -0.04 0.15 0.02 -0.04 1.67 1.76 2zw5B1 ARG 69 HG3 0.02 -0.02 0.01 -0.04 1.67 1.64 2zw5B1 ARG 69 HD2 -0.16 0.00 -0.08 -0.04 3.22 2.94 2zw5B1 ARG 69 HD3 -0.12 -0.06 -1.00 -0.04 3.22 2.00 2zw5B1 LEU 70 H -0.44 0.33 0.10 -0.55 8.37 7.81 2zw5B1 LEU 70 HA -0.20 0.11 0.97 -0.75 4.35 4.48 2zw5B1 LEU 70 HB2 -0.11 -0.02 -0.02 -0.04 1.64 1.44 2zw5B1 LEU 70 HB3 0.02 -0.06 -0.11 -0.04 1.64 1.46 2zw5B1 LEU 70 HG -0.11 0.17 -0.37 -0.04 1.64 1.28 2zw5B1 LEU 70 HD13 0.05 -0.01 -0.24 -0.04 0.93 0.68 2zw5B1 LEU 70 HD23 0.02 -0.00 -0.55 -0.04 0.89 0.32 2zw5B1 TRP 71 H 0.30 0.65 0.35 -0.55 7.97 8.73 2zw5B1 TRP 71 HA 0.00 0.19 0.80 -0.75 4.62 4.86 2zw5B1 TRP 71 HB2 0.03 0.02 -0.02 -0.04 3.23 3.22 2zw5B1 TRP 71 HB3 -0.02 -0.10 -0.25 -0.04 3.23 2.81 2zw5B1 TRP 71 HD1 -0.15 -0.11 -0.45 -0.04 7.22 6.47 2zw5B1 TRP 71 HE1 -0.04 0.28 -0.11 -0.04 10.20 10.29 2zw5B1 TRP 71 HE3 0.08 0.06 0.04 -0.04 7.59 7.72 2zw5B1 TRP 71 HZ2 0.16 -0.01 -0.12 -0.04 7.44 7.43 2zw5B1 TRP 71 HZ3 0.09 -0.08 0.09 -0.04 7.13 7.19 2zw5B1 TRP 71 HH2 0.18 0.03 -0.02 -0.04 7.19 7.35 2zw5B1 THR 72 H 0.17 1.01 0.27 -0.55 8.28 9.18 2zw5B1 THR 72 HA 0.14 0.03 0.74 -0.75 4.39 4.54 2zw5B1 THR 72 HB 0.09 0.05 0.11 -0.04 4.32 4.53 2zw5B1 THR 72 HG23 0.11 0.01 -0.06 -0.04 1.22 1.24 2zw5B1 ILE 73 H 0.09 0.71 0.43 -0.55 8.25 8.93 2zw5B1 ILE 73 HA 0.02 0.10 0.64 -0.75 4.18 4.18 2zw5B1 ILE 73 HB -0.02 -0.16 0.04 -0.04 1.89 1.71 2zw5B1 ILE 73 HG12 0.06 -0.01 -0.19 -0.04 1.49 1.31 2zw5B1 ILE 73 HG13 0.11 0.07 -0.03 -0.04 1.21 1.32 2zw5B1 ILE 73 HG23 -0.10 -0.02 -0.21 -0.04 0.93 0.56 2zw5B1 ILE 73 HD13 0.08 -0.04 -0.48 -0.04 0.88 0.40 2zw5B1 ARG 74 H -0.05 0.34 0.21 -0.55 8.46 8.41 2zw5B1 ARG 74 HA -0.09 0.21 1.06 -0.75 4.34 4.77 2zw5B1 ARG 74 HB2 -0.03 -0.03 0.21 -0.04 1.90 2.01 2zw5B1 ARG 74 HB3 -0.05 0.01 0.02 -0.04 1.80 1.74 2zw5B1 ARG 74 HG2 0.00 -0.03 -0.31 -0.04 1.67 1.29 2zw5B1 ARG 74 HG3 0.01 0.03 0.01 -0.04 1.67 1.69 2zw5B1 ARG 74 HD2 -0.03 -0.01 -0.08 -0.04 3.22 3.06 2zw5B1 ARG 74 HD3 -0.06 -0.01 -0.16 -0.04 3.22 2.96 2zw5B1 ALA 75 H -0.17 0.71 0.28 -0.55 8.40 8.67 2zw5B1 ALA 75 HA -0.26 0.11 0.50 -0.75 4.34 3.93 2zw5B1 ALA 75 HB3 -0.36 -0.02 0.00 -0.04 1.41 0.99 2zw5B1 PRO 76 HA -0.03 0.10 0.36 -0.51 4.44 4.37 2zw5B1 PRO 76 HB2 0.01 -0.00 0.10 -0.04 2.28 2.35 2zw5B1 PRO 76 HB3 -0.00 0.14 0.20 -0.04 2.02 2.32 2zw5B1 PRO 76 HG2 0.06 -0.00 -0.01 -0.04 2.03 2.04 2zw5B1 PRO 76 HG3 0.03 0.01 0.04 -0.04 2.03 2.07 2zw5B1 PRO 76 HD2 -0.15 -0.02 0.11 -0.04 3.68 3.57 2zw5B1 PRO 76 HD3 -0.08 0.28 -0.20 -0.04 3.65 3.60 2zw5B1 ASP 77 H -0.05 0.10 -1.26 -0.55 8.40 6.64 2zw5B1 ASP 77 HA -0.01 0.22 0.84 -0.75 4.63 4.93 2zw5B1 ASP 77 HB2 -0.00 0.02 0.13 -0.04 2.71 2.82 2zw5B1 ASP 77 HB3 0.01 0.04 -0.10 -0.04 2.70 2.62 2zw5B1 GLY 78 H -0.03 0.21 -0.09 -0.55 8.43 7.97 2zw5B1 GLY 78 HA2 -0.04 0.03 0.29 -0.51 4.01 3.78 2zw5B1 GLY 78 HA3 -0.03 0.00 0.32 -0.51 4.01 3.79 2zw5B1 THR 79 H -0.07 0.05 -0.61 -0.55 8.28 7.10 2zw5B1 THR 79 HA -0.09 0.19 0.90 -0.75 4.39 4.65 2zw5B1 THR 79 HB -0.05 0.24 -0.04 -0.04 4.32 4.42 2zw5B1 THR 79 HG23 -0.10 -0.05 -0.18 -0.04 1.22 0.85 2zw5B1 VAL 80 H -0.09 0.18 0.07 -0.55 8.24 7.85 2zw5B1 VAL 80 HA -0.09 0.35 1.02 -0.75 4.13 4.66 2zw5B1 VAL 80 HB -0.05 -0.06 0.19 -0.04 2.12 2.16 2zw5B1 VAL 80 HG13 0.04 0.03 -0.02 -0.04 0.97 0.98 2zw5B1 VAL 80 HG23 -0.29 0.02 -0.11 -0.04 0.95 0.53 2zw5B1 PRO 81 HA 0.02 0.02 0.40 -0.51 4.44 4.38 2zw5B1 PRO 81 HB2 0.11 -0.02 -0.05 -0.04 2.28 2.28 2zw5B1 PRO 81 HB3 0.03 0.05 0.06 -0.04 2.02 2.12 2zw5B1 PRO 81 HG2 -0.17 0.02 -0.06 -0.04 2.03 1.77 2zw5B1 PRO 81 HG3 -0.69 0.01 -0.07 -0.04 2.03 1.23 2zw5B1 PRO 81 HD2 -0.15 0.35 0.10 -0.04 3.68 3.93 2zw5B1 PRO 81 HD3 -0.21 0.06 -0.21 -0.04 3.65 3.25 2zw5B1 GLY 82 H 0.02 0.29 -0.08 -0.55 8.43 8.11 2zw5B1 GLY 82 HA2 0.08 0.04 0.31 -0.51 4.01 3.94 2zw5B1 GLY 82 HA3 0.10 0.19 0.70 -0.51 4.01 4.49 2zw5B1 MET 83 H 0.11 0.40 0.31 -0.55 8.47 8.75 2zw5B1 MET 83 HA 0.17 0.20 1.06 -0.75 4.52 5.20 2zw5B1 MET 83 HB2 0.20 -0.06 -0.04 -0.04 2.15 2.20 2zw5B1 MET 83 HB3 0.20 -0.03 0.02 -0.04 2.03 2.17 2zw5B1 MET 83 HG2 0.19 0.21 -0.03 -0.04 2.63 2.96 2zw5B1 MET 83 HG3 0.21 -0.04 -0.14 -0.04 2.56 2.55 2zw5B1 MET 83 HE3 0.34 -0.03 -0.29 -0.04 2.10 2.08 2zw5B1 ALA 84 H 0.26 0.71 0.34 -0.55 8.40 9.16 2zw5B1 ALA 84 HA 0.37 0.15 0.66 -0.75 4.34 4.77 2zw5B1 ALA 84 HB3 0.21 0.00 -0.11 -0.04 1.41 1.47 2zw5B1 GLY 85 H 0.37 0.57 0.30 -0.55 8.43 9.12 2zw5B1 GLY 85 HA2 0.60 0.08 0.43 -0.51 4.01 4.61 2zw5B1 GLY 85 HA3 0.26 0.04 0.63 -0.51 4.01 4.43 2zw5B1 LEU 86 H 0.11 0.66 0.23 -0.55 8.37 8.82 2zw5B1 LEU 86 HA 0.09 0.29 1.07 -0.75 4.35 5.05 2zw5B1 LEU 86 HB2 0.04 -0.06 0.26 -0.04 1.64 1.83 2zw5B1 LEU 86 HB3 0.04 0.07 0.16 -0.04 1.64 1.87 2zw5B1 LEU 86 HG 0.27 -0.17 -0.09 -0.04 1.64 1.61 2zw5B1 LEU 86 HD13 0.19 0.03 0.11 -0.04 0.93 1.22 2zw5B1 LEU 86 HD23 0.08 0.03 -0.01 -0.04 0.89 0.94 2zw5B1 LEU 87 H -0.02 0.23 -0.05 -0.55 8.37 7.98 2zw5B1 LEU 87 HA -0.03 0.09 0.38 -0.75 4.35 4.03 2zw5B1 LEU 87 HB2 -0.13 -0.04 -0.07 -0.04 1.64 1.35 2zw5B1 LEU 87 HB3 -0.11 0.03 0.01 -0.04 1.64 1.54 2zw5B1 LEU 87 HG -0.03 -0.04 -0.27 -0.04 1.64 1.26 2zw5B1 LEU 87 HD13 -0.19 0.01 -0.27 -0.04 0.93 0.44 2zw5B1 LEU 87 HD23 -0.12 0.00 -0.08 -0.04 0.89 0.66 2zw5B1 GLY 88 H -0.07 0.19 0.08 -0.55 8.43 8.09 2zw5B1 GLY 88 HA2 -0.05 0.19 0.60 -0.51 4.01 4.23 2zw5B1 GLY 88 HA3 -0.06 0.06 -0.01 -0.51 4.01 3.49 2zw5B1 GLY 89 H -0.05 0.09 0.08 -0.55 8.43 8.01 2zw5B1 GLY 89 HA2 -0.04 0.05 0.41 -0.51 4.01 3.92 2zw5B1 GLY 89 HA3 -0.06 0.21 0.69 -0.51 4.01 4.34 2zw5B1 THR 90 H -0.10 0.30 -0.45 -0.55 8.28 7.48 2zw5B1 THR 90 HA -0.12 0.03 0.25 -0.75 4.39 3.79 2zw5B1 THR 90 HB -0.15 0.32 -0.32 -0.04 4.32 4.13 2zw5B1 THR 90 HG23 -0.30 -0.01 -0.10 -0.04 1.22 0.77 2zw5B1 ASP 91 H -0.04 0.08 -0.45 -0.55 8.40 7.43 2zw5B1 ASP 91 HA -0.02 -0.00 0.38 -0.75 4.63 4.24 2zw5B1 ASP 91 HB2 -0.01 -0.06 0.09 -0.04 2.71 2.70 2zw5B1 ASP 91 HB3 -0.01 0.52 0.54 -0.04 2.70 3.72 2zw5B1 VAL 92 H -0.01 0.41 -0.44 -0.55 8.24 7.65 2zw5B1 VAL 92 HA 0.02 0.13 0.59 -0.75 4.13 4.11 2zw5B1 VAL 92 HB 0.06 -0.02 -0.01 -0.04 2.12 2.11 2zw5B1 VAL 92 HG13 0.09 0.02 0.00 -0.04 0.97 1.04 2zw5B1 VAL 92 HG23 0.09 0.02 -0.18 -0.04 0.95 0.83 2zw5B1 PRO 93 HA -0.03 -0.03 0.31 -0.51 4.44 4.18 2zw5B1 PRO 93 HB2 0.02 -0.05 0.29 -0.04 2.28 2.50 2zw5B1 PRO 93 HB3 0.01 0.02 0.13 -0.04 2.02 2.13 2zw5B1 PRO 93 HG2 0.01 0.22 0.26 -0.04 2.03 2.48 2zw5B1 PRO 93 HG3 0.00 0.01 0.16 -0.04 2.03 2.16 2zw5B1 PRO 93 HD2 0.02 0.01 0.23 -0.04 3.68 3.90 2zw5B1 PRO 93 HD3 -0.00 0.43 0.29 -0.04 3.65 4.33 2zw5B1 GLY 94 H -0.06 0.18 0.19 -0.55 8.43 8.20 2zw5B1 GLY 94 HA2 -0.13 0.34 1.07 -0.51 4.01 4.78 2zw5B1 GLY 94 HA3 -0.19 -0.06 0.33 -0.51 4.01 3.58 2zw5B1 LEU 95 H -0.10 0.30 0.39 -0.55 8.37 8.41 2zw5B1 LEU 95 HA 0.11 0.27 1.14 -0.75 4.35 5.12 2zw5B1 LEU 95 HB2 0.09 0.10 0.03 -0.04 1.64 1.82 2zw5B1 LEU 95 HB3 0.26 -0.05 -0.10 -0.04 1.64 1.70 2zw5B1 LEU 95 HG 0.18 -0.02 -0.28 -0.04 1.64 1.48 2zw5B1 LEU 95 HD13 0.50 -0.01 -0.13 -0.04 0.93 1.25 2zw5B1 LEU 95 HD23 0.17 0.05 -0.17 -0.04 0.89 0.89 2zw5B1 THR 96 H 0.20 0.72 0.40 -0.55 8.28 9.05 2zw5B1 THR 96 HA -0.19 0.21 0.91 -0.75 4.39 4.56 2zw5B1 THR 96 HB 0.29 -0.06 -0.24 -0.04 4.32 4.28 2zw5B1 THR 96 HG23 0.07 0.01 -0.01 -0.04 1.22 1.25 2zw5B1 TRP 97 H 0.20 0.29 0.13 -0.55 7.97 8.04 2zw5B1 TRP 97 HA 0.18 0.19 0.45 -0.75 4.62 4.68 2zw5B1 TRP 97 HB2 0.10 -0.03 0.16 -0.04 3.23 3.42 2zw5B1 TRP 97 HB3 0.12 0.27 0.19 -0.04 3.23 3.77 2zw5B1 TRP 97 HD1 0.06 -0.03 -0.39 -0.04 7.22 6.82 2zw5B1 TRP 97 HE1 -0.02 -0.07 -0.06 -0.04 10.20 10.01 2zw5B1 TRP 97 HE3 0.08 0.13 -0.23 -0.04 7.59 7.53 2zw5B1 TRP 97 HZ2 -0.01 0.05 -0.09 -0.04 7.44 7.36 2zw5B1 TRP 97 HZ3 0.05 0.05 -0.18 -0.04 7.13 7.01 2zw5B1 TRP 97 HH2 0.02 0.02 -0.16 -0.04 7.19 7.04 2zw5B1 LEU 98 H 0.30 0.62 0.30 -0.55 8.37 9.04 2zw5B1 LEU 98 HA 0.27 0.04 0.45 -0.75 4.35 4.36 2zw5B1 LEU 98 HB2 -0.08 0.09 0.15 -0.04 1.64 1.75 2zw5B1 LEU 98 HB3 -0.09 0.05 -0.30 -0.04 1.64 1.26 2zw5B1 LEU 98 HG -0.30 0.01 -0.36 -0.04 1.64 0.95 2zw5B1 LEU 98 HD13 -1.47 0.01 -0.16 -0.04 0.93 -0.73 2zw5B1 LEU 98 HD23 -0.20 -0.03 -0.02 -0.04 0.89 0.61 2zw5B1 LEU 99 H 0.30 0.23 0.17 -0.55 8.37 8.53 2zw5B1 LEU 99 HA 0.16 0.22 0.96 -0.75 4.35 4.94 2zw5B1 LEU 99 HB2 0.52 -0.04 -0.11 -0.04 1.64 1.97 2zw5B1 LEU 99 HB3 0.34 0.11 0.01 -0.04 1.64 2.07 2zw5B1 LEU 99 HG 0.17 -0.09 -0.33 -0.04 1.64 1.35 2zw5B1 LEU 99 HD13 0.23 -0.03 -0.07 -0.04 0.93 1.02 2zw5B1 LEU 99 HD23 0.15 0.04 -0.31 -0.04 0.89 0.73 2zw5B1 ARG 100 H 0.12 0.58 0.30 -0.55 8.46 8.90 2zw5B1 ARG 100 HA -0.03 0.12 0.56 -0.75 4.34 4.23 2zw5B1 ARG 100 HB2 -0.06 -0.07 0.05 -0.04 1.90 1.78 2zw5B1 ARG 100 HB3 0.02 0.05 -0.12 -0.04 1.80 1.71 2zw5B1 ARG 100 HG2 0.06 0.39 0.31 -0.04 1.67 2.38 2zw5B1 ARG 100 HG3 -0.00 -0.22 0.02 -0.04 1.67 1.43 2zw5B1 ARG 100 HD2 0.02 0.10 0.01 -0.04 3.22 3.32 2zw5B1 ARG 100 HD3 -0.05 -0.01 -0.03 -0.04 3.22 3.08 2zw5B1 ARG 101 H -0.32 0.21 0.21 -0.55 8.46 8.01 2zw5B1 ARG 101 HA -2.01 0.08 0.32 -0.75 4.34 1.98 2zw5B1 ARG 101 HB2 -0.44 -0.01 0.21 -0.04 1.90 1.61 2zw5B1 ARG 101 HB3 -0.42 0.05 0.01 -0.04 1.80 1.41 2zw5B1 ARG 101 HG2 -0.97 -0.01 0.02 -0.04 1.67 0.67 2zw5B1 ARG 101 HG3 -0.49 0.02 0.03 -0.04 1.67 1.19 2zw5B1 ARG 101 HD2 -1.00 0.00 0.14 -0.04 3.22 2.33 2zw5B1 ARG 101 HD3 -3.03 -0.00 0.05 -0.04 3.22 0.19 2zw5B1 ASP 102 H -0.20 0.08 -0.21 -0.55 8.40 7.52 2zw5B1 ASP 102 HA -0.08 0.12 0.44 -0.75 4.63 4.36 2zw5B1 ASP 102 HB2 -0.05 0.04 -0.08 -0.04 2.71 2.58 2zw5B1 ASP 102 HB3 -0.05 0.04 0.10 -0.04 2.70 2.75 2zw5B1 SER 103 H 0.01 0.45 -0.43 -0.55 8.46 7.95 2zw5B1 SER 103 HA 0.11 0.20 0.71 -0.75 4.49 4.75 2zw5B1 SER 103 HB2 0.18 0.11 0.17 -0.04 3.95 4.37 2zw5B1 SER 103 HB3 0.30 -0.14 0.17 -0.04 3.93 4.21 2zw5B1 TRP 104 H 0.27 0.41 -0.40 -0.55 7.97 7.70 2zw5B1 TRP 104 HA 0.09 -0.07 0.64 -0.75 4.62 4.52 2zw5B1 TRP 104 HB2 0.05 0.19 0.12 -0.04 3.23 3.55 2zw5B1 TRP 104 HB3 0.04 -0.07 0.03 -0.04 3.23 3.19 2zw5B1 TRP 104 HD1 0.08 -0.07 -0.45 -0.04 7.22 6.73 2zw5B1 TRP 104 HE1 0.06 0.21 -0.29 -0.04 10.20 10.13 2zw5B1 TRP 104 HE3 0.06 0.02 0.01 -0.04 7.59 7.63 2zw5B1 TRP 104 HZ2 0.09 0.04 0.02 -0.04 7.44 7.54 2zw5B1 TRP 104 HZ3 0.10 0.01 0.01 -0.04 7.13 7.20 2zw5B1 TRP 104 HH2 0.14 0.10 0.00 -0.04 7.19 7.39 2zw5B1 GLY 105 H 0.10 -0.01 0.19 -0.55 8.43 8.16 2zw5B1 GLY 105 HA2 -0.04 -0.00 0.33 -0.51 4.01 3.78 2zw5B1 GLY 105 HA3 -0.08 0.25 0.62 -0.51 4.01 4.29 2zw5B1 HIS 106 H -0.04 -0.08 0.06 -0.55 8.41 7.79 2zw5B1 HIS 106 HA -0.23 0.35 0.94 -0.75 4.63 4.93 2zw5B1 HIS 106 HB2 -1.70 -0.10 -0.05 -0.04 3.26 1.37 2zw5B1 HIS 106 HB3 -0.79 0.05 0.10 -0.04 3.20 2.51 2zw5B1 HIS 106 HD2 -0.11 -0.01 -0.05 -0.04 6.97 6.76 2zw5B1 HIS 106 HE1 0.02 0.21 -0.10 -0.04 7.75 7.83 2zw5B1 GLY 107 H -0.10 -0.01 0.08 -0.55 8.43 7.85 2zw5B1 GLY 107 HA2 -0.06 -0.01 0.30 -0.51 4.01 3.73 2zw5B1 GLY 107 HA3 -0.05 0.25 0.42 -0.51 4.01 4.11 2zw5B1 TYR 108 H -0.04 0.00 -0.23 -0.55 8.29 7.47 2zw5B1 TYR 108 HA -0.02 0.18 0.40 -0.75 4.56 4.37 2zw5B1 TYR 108 HB2 0.04 -0.04 0.08 -0.04 3.06 3.09 2zw5B1 TYR 108 HB3 0.00 0.03 -0.13 -0.04 2.98 2.84 2zw5B1 TYR 108 HD2 -0.01 0.05 -0.09 -0.04 7.15 7.07 2zw5B1 TYR 108 HE2 -0.19 0.05 -0.06 -0.04 6.85 6.62 2zw5B1 ALA 109 H 0.06 0.09 -0.02 -0.55 8.40 7.98 2zw5B1 ALA 109 HA -0.10 0.12 0.29 -0.75 4.34 3.90 2zw5B1 ALA 109 HB3 -0.22 0.03 -0.02 -0.04 1.41 1.15 2zw5B1 THR 110 H -0.13 -0.02 -0.44 -0.55 8.28 7.14 2zw5B1 THR 110 HA -0.31 0.12 0.34 -0.75 4.39 3.79 2zw5B1 THR 110 HB -0.09 0.09 0.00 -0.04 4.32 4.28 2zw5B1 THR 110 HG23 -0.11 0.05 -0.12 -0.04 1.22 1.00 2zw5B1 GLU 111 H -0.05 0.34 -0.25 -0.55 8.60 8.09 2zw5B1 GLU 111 HA -0.06 0.10 0.35 -0.75 4.29 3.93 2zw5B1 GLU 111 HB2 0.01 0.19 0.15 -0.04 2.09 2.41 2zw5B1 GLU 111 HB3 0.02 -0.00 0.10 -0.04 1.99 2.07 2zw5B1 GLU 111 HG2 -0.03 -0.05 -0.16 -0.04 2.34 2.06 2zw5B1 GLU 111 HG3 -0.02 0.04 -0.00 -0.04 2.34 2.32 2zw5B1 ALA 112 H -0.05 0.70 -0.09 -0.55 8.40 8.42 2zw5B1 ALA 112 HA -0.07 0.05 0.38 -0.75 4.34 3.95 2zw5B1 ALA 112 HB3 -0.02 -0.01 -0.06 -0.04 1.41 1.28 2zw5B1 ALA 113 H -0.20 0.57 -0.21 -0.55 8.40 8.01 2zw5B1 ALA 113 HA -0.02 0.02 0.45 -0.75 4.34 4.05 2zw5B1 ALA 113 HB3 -0.63 0.01 0.04 -0.04 1.41 0.79 2zw5B1 ALA 114 H -0.15 0.63 -0.16 -0.55 8.40 8.17 2zw5B1 ALA 114 HA -0.06 0.05 0.37 -0.75 4.34 3.95 2zw5B1 ALA 114 HB3 -0.07 0.03 0.09 -0.04 1.41 1.41 2zw5B1 ALA 115 H -0.08 0.09 -0.98 -0.55 8.40 6.88 2zw5B1 ALA 115 HA -0.07 0.06 0.47 -0.75 4.34 4.05 2zw5B1 ALA 115 HB3 -0.13 0.07 0.05 -0.04 1.41 1.36 2zw5B1 VAL 116 H -0.06 0.58 0.04 -0.55 8.24 8.26 2zw5B1 VAL 116 HA -0.15 0.00 0.29 -0.75 4.13 3.52 2zw5B1 VAL 116 HB 0.14 0.08 0.12 -0.04 2.12 2.41 2zw5B1 VAL 116 HG13 0.38 -0.02 -0.15 -0.04 0.97 1.14 2zw5B1 VAL 116 HG23 0.13 0.04 -0.10 -0.04 0.95 0.98 2zw5B1 VAL 117 H 0.02 0.64 -0.33 -0.55 8.24 8.02 2zw5B1 VAL 117 HA 0.05 0.02 0.35 -0.75 4.13 3.79 2zw5B1 VAL 117 HB 0.01 0.04 0.06 -0.04 2.12 2.19 2zw5B1 VAL 117 HG13 0.03 0.02 -0.25 -0.04 0.97 0.72 2zw5B1 VAL 117 HG23 0.10 -0.01 -0.14 -0.04 0.95 0.86 2zw5B1 GLY 118 H -0.00 0.53 -0.13 -0.55 8.43 8.27 2zw5B1 GLY 118 HA2 0.01 -0.01 0.29 -0.51 4.01 3.80 2zw5B1 GLY 118 HA3 0.00 0.08 0.34 -0.51 4.01 3.92 2zw5B1 HIS 119 H 0.06 0.59 -0.47 -0.55 8.41 8.05 2zw5B1 HIS 119 HA -0.03 -0.05 0.46 -0.75 4.63 4.26 2zw5B1 HIS 119 HB2 -0.14 -0.05 0.01 -0.04 3.26 3.04 2zw5B1 HIS 119 HB3 -0.13 0.11 0.08 -0.04 3.20 3.22 2zw5B1 HIS 119 HD2 -0.12 -0.02 -0.09 -0.04 6.97 6.69 2zw5B1 HIS 119 HE1 0.09 0.10 -0.39 -0.04 7.75 7.50 2zw5B1 ALA 120 H -0.07 0.71 0.04 -0.55 8.40 8.53 2zw5B1 ALA 120 HA -0.32 -0.05 0.32 -0.75 4.34 3.54 2zw5B1 ALA 120 HB3 -0.01 -0.00 0.09 -0.04 1.41 1.45 2zw5B1 LEU 121 H -0.01 0.56 -0.37 -0.55 8.37 8.01 2zw5B1 LEU 121 HA 0.00 0.16 0.58 -0.75 4.35 4.33 2zw5B1 LEU 121 HB2 0.01 0.09 -0.05 -0.04 1.64 1.66 2zw5B1 LEU 121 HB3 0.01 -0.03 0.06 -0.04 1.64 1.64 2zw5B1 LEU 121 HG 0.02 -0.04 -0.19 -0.04 1.64 1.39 2zw5B1 LEU 121 HD13 0.02 -0.02 -0.35 -0.04 0.93 0.54 2zw5B1 LEU 121 HD23 0.02 0.03 -0.19 -0.04 0.89 0.71 2zw5B1 GLU 122 H 0.03 0.49 -0.25 -0.55 8.60 8.32 2zw5B1 GLU 122 HA 0.03 0.25 1.04 -0.75 4.29 4.85 2zw5B1 GLU 122 HB2 0.05 0.24 0.18 -0.04 2.09 2.52 2zw5B1 GLU 122 HB3 0.06 -0.43 0.33 -0.04 1.99 1.92 2zw5B1 GLU 122 HG2 0.03 -0.06 0.05 -0.04 2.34 2.32 2zw5B1 GLU 122 HG3 0.02 0.08 0.06 -0.04 2.34 2.47 2zw5B1 ASP 123 H 0.11 0.17 0.21 -0.55 8.40 8.34 2zw5B1 ASP 123 HA 0.08 0.04 0.38 -0.75 4.63 4.38 2zw5B1 ASP 123 HB2 0.19 0.04 -0.04 -0.04 2.71 2.85 2zw5B1 ASP 123 HB3 0.07 -0.02 0.14 -0.04 2.70 2.85 2zw5B1 GLY 124 H 0.07 0.24 -0.63 -0.55 8.43 7.56 2zw5B1 GLY 124 HA2 0.10 0.06 0.54 -0.51 4.01 4.20 2zw5B1 GLY 124 HA3 -0.19 -0.01 0.19 -0.51 4.01 3.49 2zw5B1 GLY 125 H 0.03 0.66 -0.18 -0.55 8.43 8.38 2zw5B1 GLY 125 HA2 0.02 0.05 0.26 -0.51 4.01 3.83 2zw5B1 GLY 125 HA3 0.02 -0.03 0.37 -0.51 4.01 3.86 2zw5B1 LEU 126 H -0.01 0.40 0.01 -0.55 8.37 8.23 2zw5B1 LEU 126 HA 0.00 0.11 0.87 -0.75 4.35 4.58 2zw5B1 LEU 126 HB2 -0.01 0.24 -0.03 -0.04 1.64 1.79 2zw5B1 LEU 126 HB3 0.00 -0.09 0.05 -0.04 1.64 1.56 2zw5B1 LEU 126 HG -0.02 0.08 -0.14 -0.04 1.64 1.52 2zw5B1 LEU 126 HD13 -0.00 -0.03 0.02 -0.04 0.93 0.88 2zw5B1 LEU 126 HD23 0.00 0.02 0.01 -0.04 0.89 0.88 2zw5B1 ASP 127 H 0.01 0.17 0.21 -0.55 8.40 8.24 2zw5B1 ASP 127 HA 0.01 0.19 0.72 -0.75 4.63 4.80 2zw5B1 ASP 127 HB2 0.01 0.04 0.16 -0.04 2.71 2.88 2zw5B1 ASP 127 HB3 0.01 -0.01 0.05 -0.04 2.70 2.72 2zw5B1 ARG 128 H 0.02 0.21 -0.05 -0.55 8.46 8.08 2zw5B1 ARG 128 HA 0.03 0.07 0.51 -0.75 4.34 4.19 2zw5B1 ARG 128 HB2 0.03 0.10 0.16 -0.04 1.90 2.15 2zw5B1 ARG 128 HB3 0.02 0.07 -0.29 -0.04 1.80 1.56 2zw5B1 ARG 128 HG2 0.04 0.02 -0.64 -0.04 1.67 1.05 2zw5B1 ARG 128 HG3 0.04 0.02 -0.26 -0.04 1.67 1.44 2zw5B1 ARG 128 HD2 0.02 -0.06 -0.11 -0.04 3.22 3.03 2zw5B1 ARG 128 HD3 0.04 0.01 -0.14 -0.04 3.22 3.09 2zw5B1 VAL 129 H 0.05 0.55 0.29 -0.55 8.24 8.57 2zw5B1 VAL 129 HA 0.04 0.20 0.82 -0.75 4.13 4.43 2zw5B1 VAL 129 HB 0.08 0.02 -0.16 -0.04 2.12 2.01 2zw5B1 VAL 129 HG13 0.04 -0.01 -0.24 -0.04 0.97 0.72 2zw5B1 VAL 129 HG23 0.07 -0.02 -0.09 -0.04 0.95 0.87 2zw5B1 GLU 130 H 0.04 0.50 0.09 -0.55 8.60 8.69 2zw5B1 GLU 130 HA 0.13 0.26 1.04 -0.75 4.29 4.96 2zw5B1 GLU 130 HB2 0.10 0.25 -0.02 -0.04 2.09 2.38 2zw5B1 GLU 130 HB3 0.29 -0.10 -0.10 -0.04 1.99 2.03 2zw5B1 GLU 130 HG2 0.18 0.09 -0.09 -0.04 2.34 2.47 2zw5B1 GLU 130 HG3 0.12 -0.02 -0.30 -0.04 2.34 2.10 2zw5B1 ALA 131 H 0.20 0.66 0.22 -0.55 8.40 8.93 2zw5B1 ALA 131 HA -0.01 0.09 0.93 -0.75 4.34 4.60 2zw5B1 ALA 131 HB3 0.06 -0.00 -0.09 -0.04 1.41 1.33 2zw5B1 TRP 132 H 0.11 0.20 0.12 -0.55 7.97 7.85 2zw5B1 TRP 132 HA -0.05 0.31 0.78 -0.75 4.62 4.90 2zw5B1 TRP 132 HB2 -0.07 -0.01 0.17 -0.04 3.23 3.28 2zw5B1 TRP 132 HB3 -0.03 -0.02 -0.08 -0.04 3.23 3.06 2zw5B1 TRP 132 HD1 -0.03 -0.13 -0.54 -0.04 7.22 6.47 2zw5B1 TRP 132 HE1 -0.01 0.05 -0.15 -0.04 10.20 10.05 2zw5B1 TRP 132 HE3 0.01 -0.03 -0.08 -0.04 7.59 7.45 2zw5B1 TRP 132 HZ2 -0.01 0.03 -0.07 -0.04 7.44 7.35 2zw5B1 TRP 132 HZ3 0.01 0.01 -0.06 -0.04 7.13 7.06 2zw5B1 TRP 132 HH2 -0.00 0.03 -0.05 -0.04 7.19 7.13 2zw5B1 ILE 133 H 0.04 0.72 0.33 -0.55 8.25 8.79 2zw5B1 ILE 133 HA -0.05 0.17 1.05 -0.75 4.18 4.60 2zw5B1 ILE 133 HB -0.04 0.04 0.03 -0.04 1.89 1.88 2zw5B1 ILE 133 HG12 -0.21 -0.02 -0.17 -0.04 1.49 1.05 2zw5B1 ILE 133 HG13 -0.10 -0.06 -0.72 -0.04 1.21 0.28 2zw5B1 ILE 133 HG23 -0.15 0.02 -0.06 -0.04 0.93 0.71 2zw5B1 ILE 133 HD13 0.08 -0.00 -0.25 -0.04 0.88 0.66 2zw5B1 GLU 134 H -0.06 0.16 0.17 -0.55 8.60 8.33 2zw5B1 GLU 134 HA 0.01 0.29 0.65 -0.75 4.29 4.48 2zw5B1 GLU 134 HB2 0.06 0.14 0.17 -0.04 2.09 2.41 2zw5B1 GLU 134 HB3 -0.23 -0.17 0.14 -0.04 1.99 1.69 2zw5B1 GLU 134 HG2 0.09 -0.30 0.03 -0.04 2.34 2.12 2zw5B1 GLU 134 HG3 0.10 0.26 0.16 -0.04 2.34 2.82 2zw5B1 ALA 135 H -0.03 0.42 0.21 -0.55 8.40 8.47 2zw5B1 ALA 135 HA -0.09 0.10 0.30 -0.75 4.34 3.90 2zw5B1 ALA 135 HB3 -0.02 -0.00 0.08 -0.04 1.41 1.42 2zw5B1 GLY 136 H -0.11 0.07 -0.20 -0.55 8.43 7.65 2zw5B1 GLY 136 HA2 -0.07 0.09 0.39 -0.51 4.01 3.91 2zw5B1 GLY 136 HA3 -0.06 0.03 0.27 -0.51 4.01 3.74 2zw5B1 ASN 137 H -0.90 0.24 -0.32 -0.55 8.53 7.01 2zw5B1 ASN 137 HA -1.17 0.02 0.40 -0.75 4.76 3.25 2zw5B1 ASN 137 HB2 -0.95 0.04 0.16 -0.04 2.88 2.09 2zw5B1 ASN 137 HB3 -0.44 -0.00 0.22 -0.04 2.79 2.52 2zw5B1 ASN 137 HD21 -0.02 0.04 0.03 -0.04 7.03 7.04 2zw5B1 ASN 137 HD22 -0.22 0.06 0.09 -0.04 7.74 7.63 2zw5B1 ARG 138 H -0.23 0.70 0.47 -0.55 8.46 8.85 2zw5B1 ARG 138 HA -0.12 0.13 0.33 -0.75 4.34 3.92 2zw5B1 ARG 138 HB2 -0.06 0.13 0.15 -0.04 1.90 2.08 2zw5B1 ARG 138 HB3 -0.05 -0.05 0.18 -0.04 1.80 1.85 2zw5B1 ARG 138 HG2 -0.05 -0.07 -0.24 -0.04 1.67 1.27 2zw5B1 ARG 138 HG3 -0.04 0.04 0.02 -0.04 1.67 1.65 2zw5B1 ARG 138 HD2 -0.01 0.03 -0.01 -0.04 3.22 3.18 2zw5B1 ARG 138 HD3 0.00 0.03 0.02 -0.04 3.22 3.22 2zw5B1 ARG 139 H -0.13 0.14 -0.09 -0.55 8.46 7.82 2zw5B1 ARG 139 HA -0.09 0.11 0.40 -0.75 4.34 4.00 2zw5B1 ARG 139 HB2 -0.30 0.01 -0.06 -0.04 1.90 1.51 2zw5B1 ARG 139 HB3 -0.17 0.04 0.09 -0.04 1.80 1.72 2zw5B1 ARG 139 HG2 -0.16 -0.11 0.03 -0.04 1.67 1.40 2zw5B1 ARG 139 HG3 -0.18 0.07 0.02 -0.04 1.67 1.53 2zw5B1 ARG 139 HD2 0.06 0.05 0.04 -0.04 3.22 3.33 2zw5B1 ARG 139 HD3 -0.01 -0.04 0.07 -0.04 3.22 3.20 2zw5B1 SER 140 H -0.14 0.21 -0.33 -0.55 8.46 7.65 2zw5B1 SER 140 HA 0.23 0.06 0.64 -0.75 4.49 4.66 2zw5B1 SER 140 HB2 0.02 -0.02 0.04 -0.04 3.95 3.94 2zw5B1 SER 140 HB3 -0.09 0.14 0.07 -0.04 3.93 4.01 2zw5B1 LEU 141 H -0.08 0.68 0.03 -0.55 8.37 8.45 2zw5B1 LEU 141 HA 0.04 0.03 0.33 -0.75 4.35 4.00 2zw5B1 LEU 141 HB2 -0.07 0.05 0.09 -0.04 1.64 1.67 2zw5B1 LEU 141 HB3 -0.03 -0.02 -0.03 -0.04 1.64 1.52 2zw5B1 LEU 141 HG -0.13 0.12 -0.09 -0.04 1.64 1.51 2zw5B1 LEU 141 HD13 -0.10 -0.02 -0.14 -0.04 0.93 0.64 2zw5B1 LEU 141 HD23 -0.03 -0.01 -0.07 -0.04 0.89 0.73 2zw5B1 ALA 142 H -0.02 0.29 -0.61 -0.55 8.40 7.51 2zw5B1 ALA 142 HA -0.02 0.07 0.37 -0.75 4.34 4.01 2zw5B1 ALA 142 HB3 -0.05 0.05 0.05 -0.04 1.41 1.42 2zw5B1 VAL 143 H 0.00 0.28 -0.16 -0.55 8.24 7.81 2zw5B1 VAL 143 HA -0.13 -0.03 0.36 -0.75 4.13 3.58 2zw5B1 VAL 143 HB 0.02 0.15 0.11 -0.04 2.12 2.36 2zw5B1 VAL 143 HG13 -0.82 -0.03 -0.32 -0.04 0.97 -0.23 2zw5B1 VAL 143 HG23 -0.15 0.03 0.04 -0.04 0.95 0.83 2zw5B1 ALA 144 H 0.20 0.65 -0.19 -0.55 8.40 8.51 2zw5B1 ALA 144 HA 0.16 -0.02 0.24 -0.75 4.34 3.96 2zw5B1 ALA 144 HB3 0.27 0.03 -0.03 -0.04 1.41 1.64 2zw5B1 ALA 145 H 0.03 0.44 -0.34 -0.55 8.40 7.99 2zw5B1 ALA 145 HA 0.01 0.21 0.43 -0.75 4.34 4.24 2zw5B1 ALA 145 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 2zw5B1 ARG 146 H -0.03 0.41 -0.23 -0.55 8.46 8.05 2zw5B1 ARG 146 HA -0.03 0.04 0.43 -0.75 4.34 4.02 2zw5B1 ARG 146 HB2 -0.09 0.09 0.21 -0.04 1.90 2.07 2zw5B1 ARG 146 HB3 -0.07 -0.08 -0.01 -0.04 1.80 1.61 2zw5B1 ARG 146 HG2 -0.04 -0.02 0.01 -0.04 1.67 1.58 2zw5B1 ARG 146 HG3 -0.04 0.13 0.03 -0.04 1.67 1.74 2zw5B1 ARG 146 HD2 -0.08 -0.10 -0.03 -0.04 3.22 2.97 2zw5B1 ARG 146 HD3 -0.05 -0.03 -0.03 -0.04 3.22 3.06 2zw5B1 VAL 147 H -0.06 0.48 -0.15 -0.55 8.24 7.96 2zw5B1 VAL 147 HA -0.06 0.05 0.42 -0.75 4.13 3.78 2zw5B1 VAL 147 HB -0.03 0.04 -0.05 -0.04 2.12 2.04 2zw5B1 VAL 147 HG13 -0.03 -0.02 -0.08 -0.04 0.97 0.80 2zw5B1 VAL 147 HG23 -0.23 0.05 -0.06 -0.04 0.95 0.68 2zw5B1 GLY 148 H -0.01 0.28 -0.69 -0.55 8.43 7.46 2zw5B1 GLY 148 HA2 0.00 0.04 0.19 -0.51 4.01 3.74 2zw5B1 GLY 148 HA3 0.00 0.12 0.72 -0.51 4.01 4.34 2zw5B1 LEU 149 H 0.04 0.45 -0.01 -0.55 8.37 8.29 2zw5B1 LEU 149 HA 0.05 0.14 0.33 -0.75 4.35 4.12 2zw5B1 LEU 149 HB2 0.11 0.04 -0.07 -0.04 1.64 1.67 2zw5B1 LEU 149 HB3 0.10 -0.10 -0.27 -0.04 1.64 1.33 2zw5B1 LEU 149 HG 0.10 0.01 -0.24 -0.04 1.64 1.48 2zw5B1 LEU 149 HD13 0.29 -0.03 -0.22 -0.04 0.93 0.93 2zw5B1 LEU 149 HD23 0.09 0.02 -0.33 -0.04 0.89 0.63 2zw5B1 THR 150 H 0.03 0.62 0.30 -0.55 8.28 8.68 2zw5B1 THR 150 HA 0.01 0.15 0.89 -0.75 4.39 4.69 2zw5B1 THR 150 HB -0.00 -0.00 0.04 -0.04 4.32 4.31 2zw5B1 THR 150 HG23 0.01 0.03 -0.16 -0.04 1.22 1.05 2zw5B1 GLU 151 H -0.01 0.12 0.12 -0.55 8.60 8.29 2zw5B1 GLU 151 HA -0.01 0.07 0.47 -0.75 4.29 4.07 2zw5B1 GLU 151 HB2 -0.03 -0.03 0.06 -0.04 2.09 2.05 2zw5B1 GLU 151 HB3 -0.03 -0.02 0.15 -0.04 1.99 2.05 2zw5B1 GLU 151 HG2 -0.05 0.01 -0.29 -0.04 2.34 1.97 2zw5B1 GLU 151 HG3 -0.06 0.09 -0.02 -0.04 2.34 2.31 2zw5B1 ARG 152 H -0.02 0.76 0.54 -0.55 8.46 9.19 2zw5B1 ARG 152 HA -0.02 0.17 0.90 -0.75 4.34 4.64 2zw5B1 ARG 152 HB2 -0.00 -0.02 -0.06 -0.04 1.90 1.77 2zw5B1 ARG 152 HB3 -0.00 -0.03 0.05 -0.04 1.80 1.78 2zw5B1 ARG 152 HG2 0.03 0.01 -0.10 -0.04 1.67 1.56 2zw5B1 ARG 152 HG3 0.03 -0.06 -0.14 -0.04 1.67 1.46 2zw5B1 ARG 152 HD2 0.00 0.02 -0.71 -0.04 3.22 2.49 2zw5B1 ARG 152 HD3 0.02 0.11 -0.05 -0.04 3.22 3.26 2zw5B1 ALA 153 H -0.07 0.34 0.30 -0.55 8.40 8.43 2zw5B1 ALA 153 HA -0.08 0.10 0.37 -0.75 4.34 3.98 2zw5B1 ALA 153 HB3 -0.09 0.04 0.03 -0.04 1.41 1.35 2zw5B1 ARG 154 H -0.12 0.33 0.24 -0.55 8.46 8.36 2zw5B1 ARG 154 HA -0.19 0.15 0.92 -0.75 4.34 4.47 2zw5B1 ARG 154 HB2 -0.10 -0.05 -0.08 -0.04 1.90 1.63 2zw5B1 ARG 154 HB3 -0.10 -0.00 -0.05 -0.04 1.80 1.61 2zw5B1 ARG 154 HG2 -0.10 0.12 0.08 -0.04 1.67 1.73 2zw5B1 ARG 154 HG3 -0.10 0.04 0.08 -0.04 1.67 1.65 2zw5B1 ARG 154 HD2 -0.09 0.00 -0.05 -0.04 3.22 3.04 2zw5B1 ARG 154 HD3 -0.07 -0.06 -0.05 -0.04 3.22 2.99 2zw5B1 LEU 155 H -0.21 0.58 0.38 -0.55 8.37 8.58 2zw5B1 LEU 155 HA -0.13 0.16 0.73 -0.75 4.35 4.35 2zw5B1 LEU 155 HB2 -0.19 0.10 0.04 -0.04 1.64 1.55 2zw5B1 LEU 155 HB3 -0.23 0.09 -0.05 -0.04 1.64 1.41 2zw5B1 LEU 155 HG -0.51 -0.07 -0.12 -0.04 1.64 0.90 2zw5B1 LEU 155 HD13 -0.38 -0.01 -0.28 -0.04 0.93 0.23 2zw5B1 LEU 155 HD23 -0.89 0.01 -0.15 -0.04 0.89 -0.18 2zw5B1 ALA 156 H -0.09 0.22 0.19 -0.55 8.40 8.18 2zw5B1 ALA 156 HA -0.11 0.08 0.88 -0.75 4.34 4.44 2zw5B1 ALA 156 HB3 -0.06 0.01 0.13 -0.04 1.41 1.45 2zw5B1 GLN 157 H -0.29 0.66 0.41 -0.55 8.47 8.71 2zw5B1 GLN 157 HA -0.10 0.26 0.93 -0.75 4.36 4.68 2zw5B1 GLN 157 HB2 -0.13 -0.04 -0.12 -0.04 2.15 1.82 2zw5B1 GLN 157 HB3 -0.51 -0.01 -0.05 -0.04 2.02 1.41 2zw5B1 GLN 157 HG2 0.03 -0.08 0.06 -0.04 2.40 2.37 2zw5B1 GLN 157 HG3 0.06 0.09 0.05 -0.04 2.39 2.56 2zw5B1 GLN 157 HE21 0.52 -0.03 -0.05 -0.04 6.97 7.38 2zw5B1 GLN 157 HE22 0.35 0.05 -0.02 -0.04 7.69 8.02 2zw5B1 HIS 158 H -0.12 0.24 0.08 -0.55 8.41 8.06 2zw5B1 HIS 158 HA -0.35 0.06 0.64 -0.75 4.63 4.23 2zw5B1 HIS 158 HB2 -0.13 0.00 -0.18 -0.04 3.26 2.92 2zw5B1 HIS 158 HB3 -0.07 0.04 0.00 -0.04 3.20 3.13 2zw5B1 HIS 158 HD2 -0.00 -0.02 -0.12 -0.04 6.97 6.78 2zw5B1 HIS 158 HE1 0.00 0.18 -0.33 -0.04 7.75 7.57 2zw5B1 TYR 159 H -0.14 0.17 0.09 -0.55 8.29 7.86 2zw5B1 TYR 159 HA -0.18 0.17 0.76 -0.75 4.56 4.56 2zw5B1 TYR 159 HB2 -0.38 -0.05 0.07 -0.04 3.06 2.66 2zw5B1 TYR 159 HB3 -0.41 0.09 0.09 -0.04 2.98 2.70 2zw5B1 TYR 159 HD2 0.00 0.05 -0.08 -0.04 7.15 7.08 2zw5B1 TYR 159 HE2 0.06 0.06 -0.10 -0.04 6.85 6.83 2zw5B1 PRO 160 HA -0.15 0.13 0.39 -0.51 4.44 4.30 2zw5B1 PRO 160 HB2 0.04 -0.05 0.12 -0.04 2.28 2.35 2zw5B1 PRO 160 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 2zw5B1 PRO 160 HG2 0.03 0.01 0.12 -0.04 2.03 2.15 2zw5B1 PRO 160 HG3 -0.00 0.07 0.11 -0.04 2.03 2.17 2zw5B1 PRO 160 HD2 0.01 0.12 0.26 -0.04 3.68 4.03 2zw5B1 PRO 160 HD3 0.01 0.21 0.31 -0.04 3.65 4.13 2zw5B1 HIS 161 H 0.04 0.11 -0.04 -0.55 8.41 7.97 2zw5B1 HIS 161 HA 0.04 0.03 0.30 -0.75 4.63 4.25 2zw5B1 HIS 161 HB2 0.05 -0.03 0.08 -0.04 3.26 3.32 2zw5B1 HIS 161 HB3 0.04 -0.05 0.10 -0.04 3.20 3.25 2zw5B1 HIS 161 HD2 0.02 -0.01 0.10 -0.04 6.97 7.03 2zw5B1 HIS 161 HE1 0.13 0.08 -0.22 -0.04 7.75 7.69 2zw5B1 ARG 162 H -0.28 0.22 -1.00 -0.55 8.46 6.86 2zw5B1 ARG 162 HA 0.06 0.06 0.64 -0.75 4.34 4.35 2zw5B1 ARG 162 HB2 -0.06 0.24 0.12 -0.04 1.90 2.16 2zw5B1 ARG 162 HB3 0.08 0.01 0.12 -0.04 1.80 1.97 2zw5B1 ARG 162 HG2 -0.47 -0.09 -0.11 -0.04 1.67 0.96 2zw5B1 ARG 162 HG3 0.05 -0.10 0.03 -0.04 1.67 1.61 2zw5B1 ARG 162 HD2 0.10 0.03 -0.01 -0.04 3.22 3.30 2zw5B1 ARG 162 HD3 0.25 0.07 -0.07 -0.04 3.22 3.42 2zw5B1 PRO 163 HA 0.09 0.12 0.53 -0.51 4.44 4.67 2zw5B1 PRO 163 HB2 0.05 -0.02 0.02 -0.04 2.28 2.29 2zw5B1 PRO 163 HB3 0.05 -0.01 0.12 -0.04 2.02 2.14 2zw5B1 PRO 163 HG2 0.05 -0.02 0.10 -0.04 2.03 2.11 2zw5B1 PRO 163 HG3 0.06 0.04 0.10 -0.04 2.03 2.19 2zw5B1 PRO 163 HD2 0.07 0.05 0.23 -0.04 3.68 3.99 2zw5B1 PRO 163 HD3 0.08 0.16 0.29 -0.04 3.65 4.14 2zw5B1 GLY 164 H 0.13 0.15 -0.13 -0.55 8.43 8.03 2zw5B1 GLY 164 HA2 0.03 0.15 0.62 -0.51 4.01 4.30 2zw5B1 GLY 164 HA3 0.05 -0.03 0.27 -0.51 4.01 3.79 2zw5B1 PRO 165 HA -0.02 0.13 0.72 -0.51 4.44 4.76 2zw5B1 PRO 165 HB2 -0.10 -0.03 0.09 -0.04 2.28 2.21 2zw5B1 PRO 165 HB3 -0.11 0.05 0.03 -0.04 2.02 1.95 2zw5B1 PRO 165 HG2 -0.03 -0.03 -0.02 -0.04 2.03 1.90 2zw5B1 PRO 165 HG3 -0.09 -0.01 -0.03 -0.04 2.03 1.87 2zw5B1 PRO 165 HD2 -0.03 0.05 0.18 -0.04 3.68 3.84 2zw5B1 PRO 165 HD3 -0.19 0.15 0.12 -0.04 3.65 3.69 2zw5B1 HIS 166 H -0.43 0.70 0.40 -0.55 8.41 8.53 2zw5B1 HIS 166 HA 0.00 0.06 0.66 -0.75 4.63 4.59 2zw5B1 HIS 166 HB2 0.04 -0.08 0.08 -0.04 3.26 3.26 2zw5B1 HIS 166 HB3 0.01 0.16 -0.09 -0.04 3.20 3.23 2zw5B1 HIS 166 HD2 -0.10 0.02 -0.39 -0.04 6.97 6.45 2zw5B1 HIS 166 HE1 -1.50 -0.06 -0.06 -0.04 7.75 6.08 2zw5B1 GLU 167 H 0.10 0.10 0.20 -0.55 8.60 8.46 2zw5B1 GLU 167 HA -0.03 0.17 0.65 -0.75 4.29 4.31 2zw5B1 GLU 167 HB2 0.00 0.03 0.13 -0.04 2.09 2.21 2zw5B1 GLU 167 HB3 0.02 -0.14 0.20 -0.04 1.99 2.03 2zw5B1 GLU 167 HG2 -0.04 -0.07 -0.13 -0.04 2.34 2.06 2zw5B1 GLU 167 HG3 -0.05 0.14 -0.02 -0.04 2.34 2.36 2zw5B1 MET 168 H -0.08 0.85 0.48 -0.55 8.47 9.17 2zw5B1 MET 168 HA 0.01 0.08 0.84 -0.75 4.52 4.68 2zw5B1 MET 168 HB2 -0.17 0.12 0.05 -0.04 2.15 2.11 2zw5B1 MET 168 HB3 -0.17 -0.02 -0.18 -0.04 2.03 1.62 2zw5B1 MET 168 HG2 0.04 0.02 -0.19 -0.04 2.63 2.46 2zw5B1 MET 168 HG3 0.16 0.02 -0.15 -0.04 2.56 2.55 2zw5B1 MET 168 HE3 0.18 -0.03 -0.39 -0.04 2.10 1.82 2zw5B1 VAL 169 H -0.06 0.67 0.12 -0.55 8.24 8.42 2zw5B1 VAL 169 HA -0.13 0.17 1.03 -0.75 4.13 4.46 2zw5B1 VAL 169 HB -0.05 -0.00 0.19 -0.04 2.12 2.22 2zw5B1 VAL 169 HG13 -0.06 0.00 -0.13 -0.04 0.97 0.74 2zw5B1 VAL 169 HG23 -0.07 -0.01 -0.09 -0.04 0.95 0.74 2zw5B1 VAL 170 H -0.19 0.56 0.20 -0.55 8.24 8.27 2zw5B1 VAL 170 HA -0.08 0.16 0.78 -0.75 4.13 4.23 2zw5B1 VAL 170 HB -0.22 -0.05 -0.01 -0.04 2.12 1.79 2zw5B1 VAL 170 HG13 0.05 -0.00 -0.21 -0.04 0.97 0.77 2zw5B1 VAL 170 HG23 -1.12 -0.00 -0.23 -0.04 0.95 -0.44 2zw5B1 LEU 171 H 0.10 0.64 0.32 -0.55 8.37 8.88 2zw5B1 LEU 171 HA 0.03 0.20 0.73 -0.75 4.35 4.55 2zw5B1 LEU 171 HB2 0.10 0.03 0.01 -0.04 1.64 1.73 2zw5B1 LEU 171 HB3 0.07 -0.02 -0.34 -0.04 1.64 1.31 2zw5B1 LEU 171 HG 0.01 -0.07 -0.37 -0.04 1.64 1.17 2zw5B1 LEU 171 HD13 0.03 0.03 -0.09 -0.04 0.93 0.86 2zw5B1 LEU 171 HD23 0.03 -0.03 -0.31 -0.04 0.89 0.53 2zw5B1 GLY 172 H 0.05 0.61 0.32 -0.55 8.43 8.86 2zw5B1 GLY 172 HA2 0.09 0.11 0.66 -0.51 4.01 4.37 2zw5B1 GLY 172 HA3 0.07 0.06 0.31 -0.51 4.01 3.93 2zw5B1 LYS 173 H 0.06 0.51 0.24 -0.55 8.42 8.67 2zw5B1 LYS 173 HA 0.03 0.19 0.85 -0.75 4.32 4.64 2zw5B1 LYS 173 HB2 0.05 -0.07 -0.27 -0.04 1.87 1.54 2zw5B1 LYS 173 HB3 0.04 -0.09 -0.04 -0.04 1.79 1.66 2zw5B1 LYS 173 HG2 0.02 0.04 -0.10 -0.04 1.46 1.37 2zw5B1 LYS 173 HG3 0.02 0.28 -0.01 -0.04 1.46 1.71 2zw5B1 LYS 173 HD2 0.03 -0.03 -0.20 -0.04 1.69 1.45 2zw5B1 LYS 173 HD3 0.02 -0.08 -0.17 -0.04 1.68 1.42 2zw5B1 LYS 173 HE2 0.01 0.10 0.04 -0.04 2.99 3.10 2zw5B1 LYS 173 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.88 2zw5B1 ALA 174 H 0.02 0.26 0.09 -0.55 8.40 8.22 2zw5B1 ALA 174 HA 0.02 0.12 1.08 -0.75 4.34 4.81 2zw5B1 ALA 174 HB3 0.02 -0.00 -0.00 -0.04 1.41 1.38 2zw5B1 ARG 175 H 0.02 0.28 0.03 -0.55 8.46 8.24 2zw5B1 ARG 175 HA 0.01 0.04 0.47 -0.75 4.34 4.11 2zw5B1 ARG 175 HB2 0.01 0.01 0.11 -0.04 1.90 1.99 2zw5B1 ARG 175 HB3 0.01 -0.07 0.10 -0.04 1.80 1.81 2zw5B1 ARG 175 HG2 0.01 0.18 0.10 -0.04 1.67 1.92 2zw5B1 ARG 175 HG3 0.01 -0.07 0.20 -0.04 1.67 1.77 2zw5B1 ARG 175 HD2 0.01 -0.17 0.03 -0.04 3.22 3.05 2zw5B1 ARG 175 HD3 0.01 -0.08 -0.11 -0.04 3.22 3.00 2zw5B1 ALA 176 H 0.01 0.14 -0.10 -0.55 8.40 7.90 2zw5B1 ALA 176 HA 0.01 0.10 0.38 -0.75 4.34 4.08 2zw5B1 ALA 176 HB3 0.01 -0.04 0.18 -0.04 1.41 1.52 2zw5B1 GLU 177 H 0.01 -0.03 0.09 -0.55 8.60 8.12 2zw5B1 GLU 177 HA 0.01 0.10 0.25 -0.75 4.29 3.90 2zw5B1 GLU 177 HB2 0.01 0.35 -0.19 -0.04 2.09 2.22 2zw5B1 GLU 177 HB3 0.01 -0.09 -0.02 -0.04 1.99 1.85 2zw5B1 GLU 177 HG2 0.01 -0.05 0.04 -0.04 2.34 2.30 2zw5B1 GLU 177 HG3 0.01 -0.05 0.05 -0.04 2.34 2.31 2zw5B1 GLU 178 H 0.01 0.04 0.11 -0.55 8.60 8.21 2zw5B1 GLU 178 HA 0.01 0.00 0.42 -0.75 4.29 3.97 2zw5B1 GLU 178 HB2 0.01 0.03 0.12 -0.04 2.09 2.21 2zw5B1 GLU 178 HB3 0.01 0.14 0.10 -0.04 1.99 2.20 2zw5B1 GLU 178 HG2 0.01 0.04 0.07 -0.04 2.34 2.41 2zw5B1 GLU 178 HG3 0.01 -0.00 0.10 -0.04 2.34 2.41 2zw5B1 PRO 179 HA 0.00 0.10 0.51 -0.51 4.44 4.55 2zw5B1 PRO 179 HB2 0.00 -0.04 0.01 -0.04 2.28 2.21 2zw5B1 PRO 179 HB3 0.00 0.02 0.13 -0.04 2.02 2.13 2zw5B1 PRO 179 HG2 0.00 -0.05 0.12 -0.04 2.03 2.06 2zw5B1 PRO 179 HG3 0.00 0.08 0.13 -0.04 2.03 2.21 2zw5B1 PRO 179 HD2 0.00 -0.04 0.26 -0.04 3.68 3.87 2zw5B1 PRO 179 HD3 0.01 0.09 0.20 -0.04 3.65 3.91 2zw5B1 LEU 180 H 0.00 0.07 0.02 -0.55 8.37 7.92 2zw5B1 LEU 180 HA 0.00 0.14 0.74 -0.75 4.35 4.48 2zw5B1 LEU 180 HB2 0.00 -0.03 0.09 -0.04 1.64 1.66 2zw5B1 LEU 180 HB3 0.00 -0.00 -0.03 -0.04 1.64 1.57 2zw5B1 LEU 180 HG 0.00 0.01 0.00 -0.04 1.64 1.61 2zw5B1 LEU 180 HD13 0.00 0.01 -0.13 -0.04 0.93 0.78 2zw5B1 LEU 180 HD23 0.00 -0.01 0.01 -0.04 0.89 0.86 2zw5B1 THR 181 H 0.00 0.31 0.17 -0.55 8.28 8.22 2zw5B1 THR 181 HA 0.00 0.01 0.39 -0.75 4.39 4.04 2zw5B1 THR 181 HB 0.00 0.16 -0.56 -0.04 4.32 3.88 2zw5B1 THR 181 HG23 0.00 0.02 -0.33 -0.04 1.22 0.86 2zw5B1 THR 182 H 0.00 0.16 0.11 -0.55 8.28 8.00 2zw5B1 THR 182 HA 0.00 0.09 0.77 -0.75 4.39 4.50 2zw5B1 THR 182 HB -0.00 0.03 -0.03 -0.04 4.32 4.28 2zw5B1 THR 182 HG23 0.00 -0.01 0.01 -0.04 1.22 1.19 2zw5B1 LEU 183 H 0.00 0.12 0.20 -0.55 8.37 8.14 2zw5B1 LEU 183 HA -0.00 0.21 0.70 -0.75 4.35 4.51 2zw5B1 LEU 183 HB2 0.00 -0.03 0.08 -0.04 1.64 1.64 2zw5B1 LEU 183 HB3 -0.00 0.01 0.05 -0.04 1.64 1.65 2zw5B1 LEU 183 HG 0.00 0.05 -0.09 -0.04 1.64 1.56 2zw5B1 LEU 183 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.88 2zw5B1 LEU 183 HD23 -0.00 0.02 -0.07 -0.04 0.89 0.79 2zw5B1 ALA 184 H -0.00 0.12 0.07 -0.55 8.40 8.04 2zw5B1 ALA 184 HA -0.00 0.11 0.40 -0.75 4.34 4.10 2zw5B1 ALA 184 HB3 -0.01 0.06 -0.13 -0.04 1.41 1.29 2zw5B1 VAL 185 H 0.00 0.31 0.12 -0.55 8.24 8.12 2zw5B1 VAL 185 HA 0.01 0.14 0.86 -0.75 4.13 4.38 2zw5B1 VAL 185 HB 0.00 0.02 0.15 -0.04 2.12 2.26 2zw5B1 VAL 185 HG13 0.00 -0.01 -0.10 -0.04 0.97 0.82 2zw5B1 VAL 185 HG23 -0.00 0.00 -0.11 -0.04 0.95 0.81 2zw5B1 ILE 186 H 0.01 0.21 0.03 -0.55 8.25 7.95 2zw5B1 ILE 186 HA 0.02 0.31 1.03 -0.75 4.18 4.79 2zw5B1 ILE 186 HB 0.00 -0.04 0.10 -0.04 1.89 1.91 2zw5B1 ILE 186 HG12 -0.04 0.11 -0.15 -0.04 1.49 1.37 2zw5B1 ILE 186 HG13 -0.01 -0.14 -0.52 -0.04 1.21 0.50 2zw5B1 ILE 186 HG23 -0.03 0.04 -0.24 -0.04 0.93 0.65 2zw5B1 ILE 186 HD13 -0.04 -0.00 -0.11 -0.04 0.88 0.68 2zw5B1 THR 187 H 0.05 0.23 0.13 -0.55 8.28 8.14 2zw5B1 THR 187 HA 0.01 0.10 0.58 -0.75 4.39 4.33 2zw5B1 THR 187 HB -0.02 0.03 0.06 -0.04 4.32 4.35 2zw5B1 THR 187 HG23 0.01 0.02 0.06 -0.04 1.22 1.26 2zw5B1 GLU 188 H 0.01 0.17 0.18 -0.55 8.60 8.41 2zw5B1 GLU 188 HA 0.05 0.18 0.93 -0.75 4.29 4.69 2zw5B1 GLU 188 HB2 0.09 0.01 0.04 -0.04 2.09 2.19 2zw5B1 GLU 188 HB3 0.05 0.01 0.10 -0.04 1.99 2.10 2zw5B1 GLU 188 HG2 0.13 -0.02 -0.29 -0.04 2.34 2.12 2zw5B1 GLU 188 HG3 0.23 -0.04 -0.17 -0.04 2.34 2.32 2zw5B1 LEU 189 H -0.01 0.83 0.28 -0.55 8.37 8.93 2zw5B1 LEU 189 HA -0.28 0.24 0.94 -0.75 4.35 4.50 2zw5B1 LEU 189 HB2 -0.10 -0.03 0.16 -0.04 1.64 1.62 2zw5B1 LEU 189 HB3 -0.40 -0.01 -0.07 -0.04 1.64 1.12 2zw5B1 LEU 189 HG -0.28 0.02 -0.23 -0.04 1.64 1.10 2zw5B1 LEU 189 HD13 -0.72 -0.01 -0.13 -0.04 0.93 0.02 2zw5B1 LEU 189 HD23 -0.47 0.02 -0.18 -0.04 0.89 0.21 2zw5B1 PRO 190 HA 0.09 0.30 0.49 -0.51 4.44 4.80 2zw5B1 PRO 190 HB2 0.10 0.05 0.11 -0.04 2.28 2.50 2zw5B1 PRO 190 HB3 0.07 0.01 0.07 -0.04 2.02 2.13 2zw5B1 PRO 190 HG2 0.22 0.01 0.17 -0.04 2.03 2.39 2zw5B1 PRO 190 HG3 0.06 0.03 0.12 -0.04 2.03 2.20 2zw5B1 PRO 190 HD2 -0.22 0.05 0.30 -0.04 3.68 3.77 2zw5B1 PRO 190 HD3 -0.02 0.22 0.11 -0.04 3.65 3.92 2zw5B1 VAL 191 H 0.10 0.33 0.37 -0.55 8.24 8.50 2zw5B1 VAL 191 HA 0.12 0.14 0.86 -0.75 4.13 4.50 2zw5B1 VAL 191 HB 0.11 0.17 -0.01 -0.04 2.12 2.34 2zw5B1 VAL 191 HG13 0.07 -0.06 -0.39 -0.04 0.97 0.55 2zw5B1 VAL 191 HG23 0.09 -0.04 -0.03 -0.04 0.95 0.94 2zw5B1 ARG 192 H 0.03 0.14 0.17 -0.55 8.46 8.25 2zw5B1 ARG 192 HA 0.03 0.29 0.57 -0.75 4.34 4.48 2zw5B1 ARG 192 HB2 0.01 -0.11 0.17 -0.04 1.90 1.93 2zw5B1 ARG 192 HB3 0.01 -0.05 0.02 -0.04 1.80 1.74 2zw5B1 ARG 192 HG2 0.01 0.15 0.17 -0.04 1.67 1.96 2zw5B1 ARG 192 HG3 -0.00 -0.01 0.10 -0.04 1.67 1.72 2zw5B1 ARG 192 HD2 0.01 -0.19 0.12 -0.04 3.22 3.13 2zw5B1 ARG 192 HD3 0.01 0.32 0.31 -0.04 3.22 3.82 2zw5B1 ASP 193 H 0.04 0.05 -0.24 -0.55 8.40 7.70 2zw5B1 ASP 193 HA 0.03 0.25 0.82 -0.75 4.63 4.98 2zw5B1 ASP 193 HB2 0.02 0.14 -0.11 -0.04 2.71 2.71 2zw5B1 ASP 193 HB3 0.02 -0.02 0.11 -0.04 2.70 2.77 2zw5B1 VAL 194 H 0.05 0.36 -0.11 -0.55 8.24 7.98 2zw5B1 VAL 194 HA 0.05 0.02 0.18 -0.75 4.13 3.63 2zw5B1 VAL 194 HB 0.05 0.17 -0.13 -0.04 2.12 2.17 2zw5B1 VAL 194 HG13 0.04 -0.03 -0.34 -0.04 0.97 0.59 2zw5B1 VAL 194 HG23 0.07 -0.00 -0.30 -0.04 0.95 0.68 2zw5B1 ALA 195 H 0.03 0.22 -0.14 -0.55 8.40 7.97 2zw5B1 ALA 195 HA 0.02 0.07 0.31 -0.75 4.34 3.99 2zw5B1 ALA 195 HB3 0.02 0.02 0.03 -0.04 1.41 1.44 2zw5B1 ALA 196 H 0.02 0.13 -0.38 -0.55 8.40 7.62 2zw5B1 ALA 196 HA 0.01 0.12 0.60 -0.75 4.34 4.32 2zw5B1 ALA 196 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 2zw5B1 THR 197 H 0.03 0.61 0.03 -0.55 8.28 8.41 2zw5B1 THR 197 HA 0.05 0.01 0.39 -0.75 4.39 4.08 2zw5B1 THR 197 HB 0.07 0.07 0.00 -0.04 4.32 4.42 2zw5B1 THR 197 HG23 0.10 -0.01 -0.06 -0.04 1.22 1.21 2zw5B1 LEU 198 H 0.03 0.50 -0.40 -0.55 8.37 7.96 2zw5B1 LEU 198 HA 0.01 -0.00 0.27 -0.75 4.35 3.88 2zw5B1 LEU 198 HB2 0.01 0.20 0.03 -0.04 1.64 1.84 2zw5B1 LEU 198 HB3 -0.01 -0.01 -0.08 -0.04 1.64 1.50 2zw5B1 LEU 198 HG 0.01 -0.06 -0.12 -0.04 1.64 1.43 2zw5B1 LEU 198 HD13 0.01 0.03 -0.23 -0.04 0.93 0.70 2zw5B1 LEU 198 HD23 -0.04 -0.03 -0.13 -0.04 0.89 0.65 2zw5B1 ARG 199 H 0.01 0.22 -0.28 -0.55 8.46 7.86 2zw5B1 ARG 199 HA -0.00 0.03 0.35 -0.75 4.34 3.97 2zw5B1 ARG 199 HB2 0.01 0.01 0.26 -0.04 1.90 2.14 2zw5B1 ARG 199 HB3 0.01 0.04 0.05 -0.04 1.80 1.86 2zw5B1 ARG 199 HG2 0.00 0.01 0.00 -0.04 1.67 1.65 2zw5B1 ARG 199 HG3 -0.00 -0.01 0.06 -0.04 1.67 1.68 2zw5B1 ARG 199 HD2 0.00 -0.02 0.01 -0.04 3.22 3.16 2zw5B1 ARG 199 HD3 0.00 0.03 0.03 -0.04 3.22 3.25 2zw5B1 LEU 200 H 0.02 0.49 -0.14 -0.55 8.37 8.19 2zw5B1 LEU 200 HA 0.02 0.12 0.37 -0.75 4.35 4.10 2zw5B1 LEU 200 HB2 0.03 0.06 0.16 -0.04 1.64 1.84 2zw5B1 LEU 200 HB3 0.05 -0.05 0.10 -0.04 1.64 1.69 2zw5B1 LEU 200 HG 0.02 0.04 -0.01 -0.04 1.64 1.65 2zw5B1 LEU 200 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.89 2zw5B1 LEU 200 HD23 0.02 0.01 -0.11 -0.04 0.89 0.77 2zw5B1 VAL 201 H 0.06 0.53 0.00 -0.55 8.24 8.28 2zw5B1 VAL 201 HA 0.07 -0.03 0.34 -0.75 4.13 3.75 2zw5B1 VAL 201 HB 0.03 0.09 -0.06 -0.04 2.12 2.15 2zw5B1 VAL 201 HG13 0.10 -0.02 -0.12 -0.04 0.97 0.89 2zw5B1 VAL 201 HG23 0.19 0.10 0.01 -0.04 0.95 1.22 2zw5B1 GLU 202 H 0.01 0.46 -0.57 -0.55 8.60 7.95 2zw5B1 GLU 202 HA -0.03 0.16 0.26 -0.75 4.29 3.93 2zw5B1 GLU 202 HB2 -0.01 0.10 0.26 -0.04 2.09 2.41 2zw5B1 GLU 202 HB3 -0.01 -0.05 -0.02 -0.04 1.99 1.86 2zw5B1 GLU 202 HG2 -0.04 -0.04 -0.11 -0.04 2.34 2.11 2zw5B1 GLU 202 HG3 -0.02 -0.12 -0.21 -0.04 2.34 1.96 2zw5B1 ALA 203 H 0.00 0.46 -0.16 -0.55 8.40 8.16 2zw5B1 ALA 203 HA -0.01 0.14 0.84 -0.75 4.34 4.56 2zw5B1 ALA 203 HB3 -0.00 -0.00 0.10 -0.04 1.41 1.46 2zw5B1 ALA 204 H 0.02 0.76 0.18 -0.55 8.40 8.81 2zw5B1 ALA 204 HA 0.02 0.12 0.39 -0.75 4.34 4.11 2zw5B1 ALA 204 HB3 0.04 -0.04 -0.03 -0.04 1.41 1.34 2zw5B1 LEU 205 H 0.03 0.52 0.04 -0.55 8.37 8.42 2zw5B1 LEU 205 HA 0.05 0.17 0.82 -0.75 4.35 4.64 2zw5B1 LEU 205 HB2 0.04 -0.01 -0.03 -0.04 1.64 1.59 2zw5B1 LEU 205 HB3 0.05 0.01 0.02 -0.04 1.64 1.68 2zw5B1 LEU 205 HG 0.09 -0.09 -0.13 -0.04 1.64 1.47 2zw5B1 LEU 205 HD13 0.18 -0.02 -0.10 -0.04 0.93 0.95 2zw5B1 LEU 205 HD23 0.06 0.05 -0.25 -0.04 0.89 0.72 2zw5B1 GLY 206 H 0.00 0.15 -0.32 -0.55 8.43 7.71 2zw5B1 GLY 206 HA2 -0.02 0.20 0.31 -0.51 4.01 3.99 2zw5B1 GLY 206 HA3 -0.02 -0.00 0.44 -0.51 4.01 3.93 2zw5B1 ALA 207 H -0.03 0.17 -0.29 -0.55 8.40 7.70 2zw5B1 ALA 207 HA -0.10 0.17 0.25 -0.75 4.34 3.91 2zw5B1 ALA 207 HB3 -0.13 -0.07 -0.33 -0.04 1.41 0.84 2zw5B1 ARG 208 H -0.13 0.52 0.15 -0.55 8.46 8.44 2zw5B1 ARG 208 HA -0.08 0.09 0.81 -0.75 4.34 4.40 2zw5B1 ARG 208 HB2 -0.11 0.17 0.13 -0.04 1.90 2.04 2zw5B1 ARG 208 HB3 -0.09 0.03 0.06 -0.04 1.80 1.76 2zw5B1 ARG 208 HG2 -0.10 -0.10 -0.00 -0.04 1.67 1.43 2zw5B1 ARG 208 HG3 -0.09 0.13 -0.22 -0.04 1.67 1.45 2zw5B1 ARG 208 HD2 -0.12 0.13 -0.32 -0.04 3.22 2.87 2zw5B1 ARG 208 HD3 -0.16 0.02 -0.12 -0.04 3.22 2.92 2zw5B1 THR 209 H -0.06 0.10 0.14 -0.55 8.28 7.92 2zw5B1 THR 209 HA -0.08 0.14 0.73 -0.75 4.39 4.43 2zw5B1 THR 209 HB -0.02 0.01 0.04 -0.04 4.32 4.31 2zw5B1 THR 209 HG23 -0.01 -0.06 0.14 -0.04 1.22 1.26 2zw5B1 ALA 210 H -0.01 -0.02 0.38 -0.55 8.40 8.21 2zw5B1 ALA 210 HA 0.02 0.12 0.60 -0.75 4.34 4.33 2zw5B1 ALA 210 HB3 -0.06 0.02 -0.01 -0.04 1.41 1.31 2zw5B1 PHE 211 H 0.09 0.04 0.41 -0.55 8.34 8.32 2zw5B1 PHE 211 HA -0.03 0.23 0.83 -0.75 4.62 4.91 2zw5B1 PHE 211 HB2 -0.17 -0.25 0.23 -0.04 3.15 2.92 2zw5B1 PHE 211 HB3 -0.13 0.05 0.11 -0.04 3.06 3.05 2zw5B1 PHE 211 HD2 -0.20 0.04 -0.28 -0.04 7.28 6.80 2zw5B1 PHE 211 HE2 0.20 0.04 -0.07 -0.04 7.38 7.51 2zw5B1 PHE 211 HZ 0.08 0.02 -0.05 -0.04 7.32 7.34 2zw5B1 ALA 212 H -0.01 0.02 0.25 -0.55 8.40 8.12 2zw5B1 ALA 212 HA 0.04 0.04 0.43 -0.75 4.34 4.10 2zw5B1 ALA 212 HB3 0.02 0.07 0.07 -0.04 1.41 1.53 2zw5B1 ILE 213 H 0.03 0.13 0.30 -0.55 8.25 8.16 2zw5B1 ILE 213 HA -0.02 0.02 0.49 -0.75 4.18 3.92 2zw5B1 ILE 213 HB 0.16 0.02 0.22 -0.04 1.89 2.25 2zw5B1 ILE 213 HG12 -0.10 0.03 0.08 -0.04 1.49 1.46 2zw5B1 ILE 213 HG13 -0.20 -0.10 0.12 -0.04 1.21 0.99 2zw5B1 ILE 213 HG23 0.01 -0.00 -0.13 -0.04 0.93 0.77 2zw5B1 ILE 213 HD13 -0.08 0.01 0.02 -0.04 0.88 0.79 2zw5B1 GLY 214 H 0.00 0.08 0.18 -0.55 8.43 8.14 2zw5B1 GLY 214 HA2 0.01 -0.02 0.34 -0.51 4.01 3.83 2zw5B1 GLY 214 HA3 0.03 0.16 0.60 -0.51 4.01 4.29 2zw5B1 ASP 215 H 0.01 0.18 0.03 -0.55 8.40 8.07 2zw5B1 ASP 215 HA 0.01 0.11 0.83 -0.75 4.63 4.83 2zw5B1 ASP 215 HB2 0.00 0.03 -0.05 -0.04 2.71 2.65 2zw5B1 ASP 215 HB3 0.00 -0.03 0.14 -0.04 2.70 2.77 2zw5B1 PRO 216 HA 0.01 0.12 0.37 -0.51 4.44 4.44 2zw5B1 PRO 216 HB2 0.02 0.00 0.01 -0.04 2.28 2.27 2zw5B1 PRO 216 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 2zw5B1 PRO 216 HG2 0.02 0.04 0.03 -0.04 2.03 2.07 2zw5B1 PRO 216 HG3 0.01 0.02 0.07 -0.04 2.03 2.08 2zw5B1 PRO 216 HD2 0.02 0.08 0.21 -0.04 3.68 3.94 2zw5B1 PRO 216 HD3 0.01 0.11 0.29 -0.04 3.65 4.02 2zw5B1 PRO 217 HA 0.05 0.23 0.14 -0.51 4.44 4.35 2zw5B1 PRO 217 HB2 0.04 -0.19 -0.11 -0.04 2.28 1.98 2zw5B1 PRO 217 HB3 0.04 0.04 -0.07 -0.04 2.02 1.98 2zw5B1 PRO 217 HG2 0.02 -0.08 0.06 -0.04 2.03 1.98 2zw5B1 PRO 217 HG3 0.02 0.11 0.08 -0.04 2.03 2.20 2zw5B1 PRO 217 HD2 0.02 0.01 0.20 -0.04 3.68 3.86 2zw5B1 PRO 217 HD3 0.02 0.27 0.20 -0.04 3.65 4.10 2zw5B1 GLU 218 H 0.09 0.65 0.31 -0.55 8.60 9.10 2zw5B1 GLU 218 HA 0.08 0.10 0.89 -0.75 4.29 4.61 2zw5B1 GLU 218 HB2 0.05 0.09 0.02 -0.04 2.09 2.20 2zw5B1 GLU 218 HB3 0.07 0.05 0.10 -0.04 1.99 2.17 2zw5B1 GLU 218 HG2 0.05 -0.03 0.05 -0.04 2.34 2.37 2zw5B1 GLU 218 HG3 0.08 -0.07 0.28 -0.04 2.34 2.59 2zw5B1 PHE 219 H 0.16 0.17 0.10 -0.55 8.34 8.22 2zw5B1 PHE 219 HA 0.08 0.42 0.74 -0.75 4.62 5.10 2zw5B1 PHE 219 HB2 0.05 0.15 -0.07 -0.04 3.15 3.24 2zw5B1 PHE 219 HB3 0.04 -0.11 0.08 -0.04 3.06 3.03 2zw5B1 PHE 219 HD2 0.08 -0.02 0.01 -0.04 7.28 7.31 2zw5B1 PHE 219 HE2 0.28 -0.02 -0.08 -0.04 7.38 7.52 2zw5B1 PHE 219 HZ 0.15 0.01 -0.06 -0.04 7.32 7.38 2zw5B1 ALA 220 H -0.34 0.50 0.35 -0.55 8.40 8.36 2zw5B1 ALA 220 HA 0.04 -0.02 0.53 -0.75 4.34 4.13 2zw5B1 ALA 220 HB3 -0.02 0.04 -0.14 -0.04 1.41 1.25 2zw5B1 GLU 221 H -0.06 0.10 0.25 -0.55 8.60 8.34 2zw5B1 GLU 221 HA -0.31 0.28 0.99 -0.75 4.29 4.49 2zw5B1 GLU 221 HB2 -1.03 -0.03 -0.10 -0.04 2.09 0.88 2zw5B1 GLU 221 HB3 -0.48 -0.08 0.10 -0.04 1.99 1.49 2zw5B1 GLU 221 HG2 -0.34 0.06 -0.29 -0.04 2.34 1.74 2zw5B1 GLU 221 HG3 -0.38 0.01 -0.18 -0.04 2.34 1.74 2zw5B1 ALA 222 H -0.36 0.75 0.27 -0.55 8.40 8.51 2zw5B1 ALA 222 HA -0.22 0.28 0.92 -0.75 4.34 4.56 2zw5B1 ALA 222 HB3 -0.53 -0.02 -0.02 -0.04 1.41 0.80 2zw5B1 ALA 223 H -0.19 0.67 0.20 -0.55 8.40 8.54 2zw5B1 ALA 223 HA -0.19 0.05 0.64 -0.75 4.34 4.09 2zw5B1 ALA 223 HB3 -0.12 0.04 0.07 -0.04 1.41 1.35 2zw5B1 LEU 224 H -0.18 0.37 0.35 -0.55 8.37 8.37 2zw5B1 LEU 224 HA -0.11 0.02 0.31 -0.75 4.35 3.81 2zw5B1 LEU 224 HB2 -0.06 0.06 -0.11 -0.04 1.64 1.49 2zw5B1 LEU 224 HB3 -0.03 0.02 0.07 -0.04 1.64 1.65 2zw5B1 LEU 224 HG -0.35 0.04 -0.06 -0.04 1.64 1.22 2zw5B1 LEU 224 HD13 0.15 -0.03 -0.14 -0.04 0.93 0.88 2zw5B1 LEU 224 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.67 2zw5B1 THR 225 H -0.08 0.09 -0.88 -0.55 8.28 6.87 2zw5B1 THR 225 HA -0.03 0.21 0.76 -0.75 4.39 4.58 2zw5B1 THR 225 HB 0.21 -0.17 0.05 -0.04 4.32 4.37 2zw5B1 THR 225 HG23 0.08 -0.01 -0.15 -0.04 1.22 1.10 2zw5B1 PRO 226 HA -0.30 0.17 0.55 -0.51 4.44 4.35 2zw5B1 PRO 226 HB2 -0.83 -0.03 0.02 -0.04 2.28 1.40 2zw5B1 PRO 226 HB3 -0.39 0.06 0.07 -0.04 2.02 1.72 2zw5B1 PRO 226 HG2 -1.91 -0.02 0.02 -0.04 2.03 0.08 2zw5B1 PRO 226 HG3 -0.40 0.04 0.06 -0.04 2.03 1.68 2zw5B1 PRO 226 HD2 -0.08 0.03 0.20 -0.04 3.68 3.78 2zw5B1 PRO 226 HD3 -0.11 0.21 0.19 -0.04 3.65 3.89 2zw5B1 TRP 227 H -0.31 0.06 -0.22 -0.55 7.97 6.96 2zw5B1 TRP 227 HA -0.02 0.03 0.53 -0.75 4.62 4.40 2zw5B1 TRP 227 HB2 -0.03 0.13 -0.04 -0.04 3.23 3.25 2zw5B1 TRP 227 HB3 -0.02 -0.05 0.02 -0.04 3.23 3.13 2zw5B1 TRP 227 HD1 -0.03 0.04 0.04 -0.04 7.22 7.24 2zw5B1 TRP 227 HE1 -0.02 0.02 0.02 -0.04 10.20 10.18 2zw5B1 TRP 227 HE3 -0.02 -0.02 0.00 -0.04 7.59 7.51 2zw5B1 TRP 227 HZ2 -0.01 -0.00 -0.01 -0.04 7.44 7.37 2zw5B1 TRP 227 HZ3 -0.01 -0.01 -0.02 -0.04 7.13 7.05 2zw5B1 TRP 227 HH2 -0.01 -0.02 -0.02 -0.04 7.19 7.10 2zw5B1 SER 228 H 0.21 0.06 0.11 -0.55 8.46 8.30 2zw5B1 SER 228 HA 0.04 0.07 0.29 -0.75 4.49 4.13 2zw5B1 SER 228 HB2 0.11 -0.04 0.17 -0.04 3.95 4.15 2zw5B1 SER 228 HB3 0.06 -0.00 0.01 -0.04 3.93 3.96 2zw5B1 ALA 229 H 0.09 0.04 -0.09 -0.55 8.40 7.89 2zw5B1 ALA 229 HA 0.01 0.15 0.80 -0.75 4.34 4.55 2zw5B1 ALA 229 HB3 0.02 -0.01 0.01 -0.04 1.41 1.38 2zw5B1 GLY 230 H -0.00 0.23 0.11 -0.55 8.43 8.23 2zw5B1 GLY 230 HA2 0.02 0.01 0.28 -0.51 4.01 3.82 2zw5B1 GLY 230 HA3 0.06 0.13 0.41 -0.51 4.01 4.10 2zw5B1 PRO 231 HA -0.00 0.01 0.50 -0.51 4.44 4.43 2zw5B1 PRO 231 HB2 0.00 0.03 0.04 -0.04 2.28 2.31 2zw5B1 PRO 231 HB3 0.01 0.03 0.13 -0.04 2.02 2.15 2zw5B1 PRO 231 HG2 0.01 0.08 0.10 -0.04 2.03 2.18 2zw5B1 PRO 231 HG3 0.00 0.03 0.13 -0.04 2.03 2.16 2zw5B1 PRO 231 HD2 0.04 0.12 0.14 -0.04 3.68 3.94 2zw5B1 PRO 231 HD3 0.01 0.10 0.20 -0.04 3.65 3.93 2zw5B1 ARG 232 H -0.01 0.32 0.37 -0.55 8.46 8.58 2zw5B1 ARG 232 HA -0.26 0.08 0.58 -0.75 4.34 3.99 2zw5B1 ARG 232 HB2 -0.26 0.02 -0.10 -0.04 1.90 1.52 2zw5B1 ARG 232 HB3 -0.15 0.13 0.01 -0.04 1.80 1.75 2zw5B1 ARG 232 HG2 -0.09 -0.08 -0.11 -0.04 1.67 1.35 2zw5B1 ARG 232 HG3 -0.18 -0.10 -0.21 -0.04 1.67 1.14 2zw5B1 ARG 232 HD2 -0.07 0.41 -0.14 -0.04 3.22 3.38 2zw5B1 ARG 232 HD3 -0.08 -0.12 -0.04 -0.04 3.22 2.94 2zw5B1 PHE 233 H -0.56 0.43 0.31 -0.55 8.34 7.96 2zw5B1 PHE 233 HA -0.08 0.08 0.61 -0.75 4.62 4.47 2zw5B1 PHE 233 HB2 -0.07 0.16 0.13 -0.04 3.15 3.32 2zw5B1 PHE 233 HB3 -0.06 0.02 0.07 -0.04 3.06 3.05 2zw5B1 PHE 233 HD2 -0.06 0.03 -0.32 -0.04 7.28 6.89 2zw5B1 PHE 233 HE2 -0.03 -0.00 -0.14 -0.04 7.38 7.16 2zw5B1 PHE 233 HZ -0.02 -0.01 -0.11 -0.04 7.32 7.13 2zw5B1 ARG 234 H 0.10 0.67 0.26 -0.55 8.46 8.94 2zw5B1 ARG 234 HA -0.17 0.21 1.12 -0.75 4.34 4.75 2zw5B1 ARG 234 HB2 0.06 -0.09 -0.02 -0.04 1.90 1.81 2zw5B1 ARG 234 HB3 -0.36 0.04 0.08 -0.04 1.80 1.52 2zw5B1 ARG 234 HG2 -0.08 -0.10 -0.18 -0.04 1.67 1.27 2zw5B1 ARG 234 HG3 0.06 0.07 -0.15 -0.04 1.67 1.61 2zw5B1 ARG 234 HD2 0.26 -0.00 -0.08 -0.04 3.22 3.36 2zw5B1 ARG 234 HD3 -0.42 0.02 -0.09 -0.04 3.22 2.69 2zw5B1 LEU 235 H -0.17 0.59 0.31 -0.55 8.37 8.55 2zw5B1 LEU 235 HA 0.06 0.26 0.94 -0.75 4.35 4.85 2zw5B1 LEU 235 HB2 -0.00 -0.10 0.05 -0.04 1.64 1.54 2zw5B1 LEU 235 HB3 0.06 -0.02 -0.11 -0.04 1.64 1.53 2zw5B1 LEU 235 HG 0.09 -0.04 -0.14 -0.04 1.64 1.51 2zw5B1 LEU 235 HD13 0.17 0.06 -0.17 -0.04 0.93 0.95 2zw5B1 LEU 235 HD23 0.08 0.00 -0.27 -0.04 0.89 0.66 2zw5B1 ALA 236 H 0.10 0.43 -0.00 -0.55 8.40 8.38 2zw5B1 ALA 236 HA 0.28 0.22 0.96 -0.75 4.34 5.05 2zw5B1 ALA 236 HB3 0.19 0.01 -0.07 -0.04 1.41 1.50 2zw5B1 ALA 237 H 0.13 0.43 0.12 -0.55 8.40 8.53 2zw5B1 ALA 237 HA 0.07 0.32 0.51 -0.75 4.34 4.48 2zw5B1 ALA 237 HB3 0.06 -0.01 0.13 -0.04 1.41 1.55 2zw5B1 VAL 238 H 0.05 0.40 0.11 -0.55 8.24 8.25 2zw5B1 VAL 238 HA 0.04 0.14 0.87 -0.75 4.13 4.42 2zw5B1 VAL 238 HB 0.05 -0.03 -0.18 -0.04 2.12 1.92 2zw5B1 VAL 238 HG13 0.06 0.03 -0.29 -0.04 0.97 0.73 2zw5B1 VAL 238 HG23 0.03 0.04 -0.23 -0.04 0.95 0.75 2zw5B1 PRO 239 HA 0.02 0.20 0.70 -0.51 4.44 4.85 2zw5B1 PRO 239 HB2 0.01 -0.22 0.24 -0.04 2.28 2.27 2zw5B1 PRO 239 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 2zw5B1 PRO 239 HG2 0.01 -0.00 0.04 -0.04 2.03 2.04 2zw5B1 PRO 239 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2zw5B1 PRO 239 HD2 0.02 0.07 0.06 -0.04 3.68 3.79 2zw5B1 PRO 239 HD3 0.03 0.19 0.14 -0.04 3.65 3.96 2zw5B1 GLY 240 H 0.01 0.02 0.13 -0.55 8.43 8.05 2zw5B1 GLY 240 HA2 0.01 0.00 0.36 -0.51 4.01 3.87 2zw5B1 GLY 240 HA3 0.01 0.04 0.33 -0.51 4.01 3.89 2zw5B1 PRO 241 HA -0.00 0.13 0.45 -0.51 4.44 4.52 2zw5B1 PRO 241 HB2 0.00 0.02 0.15 -0.04 2.28 2.41 2zw5B1 PRO 241 HB3 0.00 0.02 0.13 -0.04 2.02 2.13 2zw5B1 PRO 241 HG2 0.00 0.01 0.07 -0.04 2.03 2.07 2zw5B1 PRO 241 HG3 0.00 0.01 0.07 -0.04 2.03 2.07 2zw5B1 PRO 241 HD2 0.00 0.11 0.10 -0.04 3.68 3.85 2zw5B1 PRO 241 HD3 0.00 0.02 0.21 -0.04 3.65 3.84 2zw5B1 GLY 242 H 0.01 0.47 -0.84 -0.55 8.43 7.52 2zw5B1 GLY 242 HA2 0.00 0.25 0.59 -0.51 4.01 4.33 2zw5B1 GLY 242 HA3 0.01 -0.12 0.16 -0.51 4.01 3.55 2zw5B1 PRO 243 HA 0.02 -0.02 0.33 -0.51 4.44 4.26 2zw5B1 PRO 243 HB2 0.06 0.04 -0.03 -0.04 2.28 2.31 2zw5B1 PRO 243 HB3 0.08 -0.01 0.13 -0.04 2.02 2.17 2zw5B1 PRO 243 HG2 -0.09 0.13 -0.01 -0.04 2.03 2.01 2zw5B1 PRO 243 HG3 0.08 0.10 0.13 -0.04 2.03 2.30 2zw5B1 PRO 243 HD2 -0.06 0.07 0.34 -0.04 3.68 4.00 2zw5B1 PRO 243 HD3 0.02 0.11 0.22 -0.04 3.65 3.96 2zw5B1 VAL 244 H 0.02 -0.01 0.17 -0.55 8.24 7.86 2zw5B1 VAL 244 HA -0.00 0.29 0.91 -0.75 4.13 4.58 2zw5B1 VAL 244 HB 0.00 0.01 0.08 -0.04 2.12 2.17 2zw5B1 VAL 244 HG13 0.00 0.01 -0.06 -0.04 0.97 0.89 2zw5B1 VAL 244 HG23 0.01 -0.01 -0.02 -0.04 0.95 0.89 2zw5B1 GLU 245 H 0.02 -0.04 0.11 -0.55 8.60 8.15 2zw5B1 GLU 245 HA 0.02 0.23 0.83 -0.75 4.29 4.61 2zw5B1 GLU 245 HB2 0.03 -0.07 0.16 -0.04 2.09 2.17 2zw5B1 GLU 245 HB3 0.02 0.08 0.03 -0.04 1.99 2.08 2zw5B1 GLU 245 HG2 0.01 0.03 -0.20 -0.04 2.34 2.14 2zw5B1 GLU 245 HG3 0.01 -0.06 0.01 -0.04 2.34 2.26 2zw5B1 PRO 246 HA 0.15 0.03 0.40 -0.51 4.44 4.52 2zw5B1 PRO 246 HB2 0.05 0.14 -0.43 -0.04 2.28 2.01 2zw5B1 PRO 246 HB3 -0.04 0.03 -0.21 -0.04 2.02 1.77 2zw5B1 PRO 246 HG2 0.03 -0.03 -0.02 -0.04 2.03 1.96 2zw5B1 PRO 246 HG3 0.00 0.07 0.00 -0.04 2.03 2.06 2zw5B1 PRO 246 HD2 0.02 0.02 0.20 -0.04 3.68 3.87 2zw5B1 PRO 246 HD3 0.00 0.30 0.08 -0.04 3.65 3.99 2zw5B1 VAL 247 H 0.73 0.05 0.12 -0.55 8.24 8.59 2zw5B1 VAL 247 HA 0.01 0.15 0.60 -0.75 4.13 4.14 2zw5B1 VAL 247 HB -0.29 -0.07 -0.03 -0.04 2.12 1.68 2zw5B1 VAL 247 HG13 -0.11 0.02 -0.04 -0.04 0.97 0.79 2zw5B1 VAL 247 HG23 -0.25 0.03 0.07 -0.04 0.95 0.75 2zw5B1 ARG 248 H -0.02 0.19 0.15 -0.55 8.46 8.23 2zw5B1 ARG 248 HA -0.00 0.26 1.05 -0.75 4.34 4.89 2zw5B1 ARG 248 HB2 -0.01 -0.04 0.16 -0.04 1.90 1.97 2zw5B1 ARG 248 HB3 0.00 0.02 -0.00 -0.04 1.80 1.78 2zw5B1 ARG 248 HG2 0.02 0.04 -0.37 -0.04 1.67 1.32 2zw5B1 ARG 248 HG3 0.00 -0.01 -0.03 -0.04 1.67 1.59 2zw5B1 ARG 248 HD2 0.02 -0.04 -0.03 -0.04 3.22 3.12 2zw5B1 ARG 248 HD3 0.02 0.05 0.02 -0.04 3.22 3.27 2zw5B1 LEU 249 H -0.04 0.64 0.25 -0.55 8.37 8.68 2zw5B1 LEU 249 HA -0.02 0.16 0.97 -0.75 4.35 4.71 2zw5B1 LEU 249 HB2 -0.12 -0.02 -0.00 -0.04 1.64 1.45 2zw5B1 LEU 249 HB3 -0.07 0.04 -0.11 -0.04 1.64 1.46 2zw5B1 LEU 249 HG -0.19 -0.06 -0.33 -0.04 1.64 1.02 2zw5B1 LEU 249 HD13 -0.38 0.00 -0.14 -0.04 0.93 0.37 2zw5B1 LEU 249 HD23 -0.07 0.05 -0.06 -0.04 0.89 0.77 2zw5B1 HIS 250 H 0.08 0.22 0.15 -0.55 8.41 8.30 2zw5B1 HIS 250 HA -0.03 0.20 0.97 -0.75 4.63 5.02 2zw5B1 HIS 250 HB2 -0.04 -0.01 -0.02 -0.04 3.26 3.15 2zw5B1 HIS 250 HB3 -0.04 -0.02 0.17 -0.04 3.20 3.27 2zw5B1 HIS 250 HD2 -0.02 -0.04 -0.16 -0.04 6.97 6.71 2zw5B1 HIS 250 HE1 0.20 -0.03 -0.14 -0.04 7.75 7.73 2zw5B1 LEU 251 H -0.25 0.72 0.25 -0.55 8.37 8.54 2zw5B1 LEU 251 HA -0.05 0.15 0.97 -0.75 4.35 4.67 2zw5B1 LEU 251 HB2 -0.12 -0.05 0.12 -0.04 1.64 1.55 2zw5B1 LEU 251 HB3 -0.03 0.07 -0.02 -0.04 1.64 1.61 2zw5B1 LEU 251 HG -0.07 0.02 -0.18 -0.04 1.64 1.36 2zw5B1 LEU 251 HD13 0.05 0.01 -0.11 -0.04 0.93 0.84 2zw5B1 LEU 251 HD23 0.01 -0.04 -0.40 -0.04 0.89 0.42 2zw5B1 ASP 252 H -0.03 0.18 0.14 -0.55 8.40 8.14 2zw5B1 ASP 252 HA -0.07 0.13 0.69 -0.75 4.63 4.62 2zw5B1 ASP 252 HB2 0.01 -0.03 0.22 -0.04 2.71 2.87 2zw5B1 ASP 252 HB3 0.01 0.04 0.07 -0.04 2.70 2.78 2zw5B1 ALA 253 H -0.05 0.93 0.44 -0.55 8.40 9.17 2zw5B1 ALA 253 HA -0.02 0.20 1.02 -0.75 4.34 4.79 2zw5B1 ALA 253 HB3 -0.02 -0.01 -0.07 -0.04 1.41 1.27 2zw5B1 ALA 254 H 0.00 0.23 0.18 -0.55 8.40 8.27 2zw5B1 ALA 254 HA -0.01 0.11 0.90 -0.75 4.34 4.58 2zw5B1 ALA 254 HB3 0.00 0.00 0.05 -0.04 1.41 1.42 2zw5B1 GLY 255 H -0.01 0.11 0.15 -0.55 8.43 8.14 2zw5B1 GLY 255 HA2 0.01 -0.02 0.32 -0.51 4.01 3.81 2zw5B1 GLY 255 HA3 0.02 0.23 0.85 -0.51 4.01 4.60 2zw5B1 THR 256 H 0.01 0.07 0.15 -0.55 8.28 7.96 2zw5B1 THR 256 HA -0.01 0.53 0.66 -0.75 4.39 4.81 2zw5B1 THR 256 HB -0.00 -0.11 0.11 -0.04 4.32 4.28 2zw5B1 THR 256 HG23 -0.02 0.03 0.05 -0.04 1.22 1.24 2zw5B1 ALA 257 H 0.02 0.28 0.16 -0.55 8.40 8.31 2zw5B1 ALA 257 HA 0.19 0.17 0.34 -0.75 4.34 4.28 2zw5B1 ALA 257 HB3 0.10 0.03 0.02 -0.04 1.41 1.52 2zw5B1 ASP 258 H 0.02 0.09 -0.05 -0.55 8.40 7.91 2zw5B1 ASP 258 HA -0.02 0.12 0.43 -0.75 4.63 4.41 2zw5B1 ASP 258 HB2 -0.03 0.06 0.02 -0.04 2.71 2.72 2zw5B1 ASP 258 HB3 -0.05 0.06 0.10 -0.04 2.70 2.76 2zw5B1 SER 259 H 0.03 0.03 -0.32 -0.55 8.46 7.65 2zw5B1 SER 259 HA 0.01 0.04 0.33 -0.75 4.49 4.12 2zw5B1 SER 259 HB2 0.03 0.15 0.12 -0.04 3.95 4.21 2zw5B1 SER 259 HB3 0.03 0.09 -0.02 -0.04 3.93 3.98 2zw5B1 LEU 260 H 0.10 0.43 -0.25 -0.55 8.37 8.09 2zw5B1 LEU 260 HA 0.10 0.06 0.36 -0.75 4.35 4.11 2zw5B1 LEU 260 HB2 0.42 0.12 0.05 -0.04 1.64 2.18 2zw5B1 LEU 260 HB3 0.32 -0.00 -0.04 -0.04 1.64 1.88 2zw5B1 LEU 260 HG 0.09 0.04 -0.09 -0.04 1.64 1.65 2zw5B1 LEU 260 HD13 0.09 -0.03 -0.31 -0.04 0.93 0.64 2zw5B1 LEU 260 HD23 0.07 0.02 -0.05 -0.04 0.89 0.88 2zw5B1 HIS 261 H 0.03 0.57 -0.16 -0.55 8.41 8.31 2zw5B1 HIS 261 HA -1.40 -0.01 0.32 -0.75 4.63 2.78 2zw5B1 HIS 261 HB2 -0.66 0.02 0.05 -0.04 3.26 2.63 2zw5B1 HIS 261 HB3 -0.27 0.02 0.28 -0.04 3.20 3.19 2zw5B1 HIS 261 HD2 -0.97 0.03 -0.11 -0.04 6.97 5.88 2zw5B1 HIS 261 HE1 -0.12 -0.00 -0.12 -0.04 7.75 7.46 2zw5B1 ARG 262 H -0.04 0.87 -0.05 -0.55 8.46 8.68 2zw5B1 ARG 262 HA -0.14 -0.06 0.36 -0.75 4.34 3.75 2zw5B1 ARG 262 HB2 -0.01 0.07 0.13 -0.04 1.90 2.05 2zw5B1 ARG 262 HB3 -0.03 0.06 0.05 -0.04 1.80 1.84 2zw5B1 ARG 262 HG2 -0.02 -0.02 -0.00 -0.04 1.67 1.59 2zw5B1 ARG 262 HG3 -0.04 -0.04 0.04 -0.04 1.67 1.60 2zw5B1 ARG 262 HD2 0.03 -0.01 0.00 -0.04 3.22 3.21 2zw5B1 ARG 262 HD3 0.00 -0.03 -0.02 -0.04 3.22 3.13 2zw5B1 ARG 263 H -0.04 0.43 -0.16 -0.55 8.46 8.14 2zw5B1 ARG 263 HA -0.03 -0.06 0.36 -0.75 4.34 3.85 2zw5B1 ARG 263 HB2 0.00 -0.09 0.12 -0.04 1.90 1.90 2zw5B1 ARG 263 HB3 0.02 0.18 0.24 -0.04 1.80 2.21 2zw5B1 ARG 263 HG2 0.03 0.33 -0.08 -0.04 1.67 1.91 2zw5B1 ARG 263 HG3 0.00 -0.02 -0.04 -0.04 1.67 1.57 2zw5B1 ARG 263 HD2 0.01 0.07 -0.18 -0.04 3.22 3.07 2zw5B1 ARG 263 HD3 0.01 -0.12 -0.05 -0.04 3.22 3.02 2zw5B1 ALA 264 H -0.04 0.50 -0.05 -0.55 8.40 8.26 2zw5B1 ALA 264 HA 0.01 -0.03 0.41 -0.75 4.34 3.96 2zw5B1 ALA 264 HB3 0.05 0.01 0.01 -0.04 1.41 1.44 2zw5B1 VAL 265 H -0.28 0.55 -0.16 -0.55 8.24 7.80 2zw5B1 VAL 265 HA -0.14 0.06 0.39 -0.75 4.13 3.69 2zw5B1 VAL 265 HB -0.19 0.04 0.19 -0.04 2.12 2.12 2zw5B1 VAL 265 HG13 -0.09 -0.03 -0.07 -0.04 0.97 0.74 2zw5B1 VAL 265 HG23 -0.63 0.13 -0.02 -0.04 0.95 0.39 2zw5B1 ASP 266 H -0.09 0.79 0.10 -0.55 8.40 8.65 2zw5B1 ASP 266 HA -0.04 -0.06 0.39 -0.75 4.63 4.16 2zw5B1 ASP 266 HB2 -0.04 0.16 0.17 -0.04 2.71 2.96 2zw5B1 ASP 266 HB3 -0.03 -0.09 0.02 -0.04 2.70 2.56 2zw5B1 ALA 267 H -0.03 0.84 -0.09 -0.55 8.40 8.57 2zw5B1 ALA 267 HA -0.01 -0.06 0.27 -0.75 4.34 3.78 2zw5B1 ALA 267 HB3 -0.01 0.03 -0.09 -0.04 1.41 1.30 2zw5B1 GLY 268 H -0.03 0.54 -1.02 -0.55 8.43 7.37 2zw5B1 GLY 268 HA2 -0.02 0.03 0.34 -0.51 4.01 3.85 2zw5B1 GLY 268 HA3 -0.01 -0.04 0.55 -0.51 4.01 4.00 2zw5B1 ALA 269 H -0.02 0.47 -0.11 -0.55 8.40 8.20 2zw5B1 ALA 269 HA 0.01 -0.00 0.43 -0.75 4.34 4.02 2zw5B1 ALA 269 HB3 0.02 -0.02 -0.06 -0.04 1.41 1.31 2zw5B1 ARG 270 H 0.02 0.12 0.11 -0.55 8.46 8.16 2zw5B1 ARG 270 HA 0.01 0.14 0.73 -0.75 4.34 4.46 2zw5B1 ARG 270 HB2 0.01 0.00 0.12 -0.04 1.90 1.99 2zw5B1 ARG 270 HB3 0.02 0.12 0.26 -0.04 1.80 2.16 2zw5B1 ARG 270 HG2 0.01 0.03 0.01 -0.04 1.67 1.68 2zw5B1 ARG 270 HG3 0.01 -0.03 -0.00 -0.04 1.67 1.61 2zw5B1 ARG 270 HD2 0.02 -0.09 -0.07 -0.04 3.22 3.04 2zw5B1 ARG 270 HD3 0.03 0.09 -0.36 -0.04 3.22 2.93 2zw5B1 VAL 271 H 0.01 0.22 0.15 -0.55 8.24 8.08 2zw5B1 VAL 271 HA 0.11 0.36 0.95 -0.75 4.13 4.79 2zw5B1 VAL 271 HB -0.01 -0.01 0.03 -0.04 2.12 2.10 2zw5B1 VAL 271 HG13 0.19 -0.30 -0.04 -0.04 0.97 0.78 2zw5B1 VAL 271 HG23 -0.02 0.03 -0.27 -0.04 0.95 0.66 2zw5B1 ASP 272 H 0.14 0.38 0.29 -0.55 8.40 8.66 2zw5B1 ASP 272 HA 0.06 0.12 0.57 -0.75 4.63 4.62 2zw5B1 ASP 272 HB2 0.06 -0.01 0.16 -0.04 2.71 2.87 2zw5B1 ASP 272 HB3 0.07 0.02 0.09 -0.04 2.70 2.85 2zw5B1 GLY 273 H 0.13 -0.02 -0.49 -0.55 8.43 7.50 2zw5B1 GLY 273 HA2 0.08 -0.00 0.23 -0.51 4.01 3.81 2zw5B1 GLY 273 HA3 0.05 0.23 0.91 -0.51 4.01 4.69 2zw5B1 PRO 274 HA -1.05 0.03 0.32 -0.51 4.44 3.23 2zw5B1 PRO 274 HB2 -0.19 0.10 -0.06 -0.04 2.28 2.09 2zw5B1 PRO 274 HB3 -0.29 -0.02 0.09 -0.04 2.02 1.76 2zw5B1 PRO 274 HG2 -0.07 0.05 -0.01 -0.04 2.03 1.96 2zw5B1 PRO 274 HG3 -0.07 0.02 0.04 -0.04 2.03 1.97 2zw5B1 PRO 274 HD2 -0.01 0.13 0.21 -0.04 3.68 3.98 2zw5B1 PRO 274 HD3 -0.02 0.10 0.13 -0.04 3.65 3.82 2zw5B1 PRO 275 HA 0.11 0.27 0.32 -0.51 4.44 4.63 2zw5B1 PRO 275 HB2 0.02 -0.04 -0.21 -0.04 2.28 2.02 2zw5B1 PRO 275 HB3 0.18 0.05 -0.20 -0.04 2.02 2.01 2zw5B1 PRO 275 HG2 -0.11 0.02 0.04 -0.04 2.03 1.94 2zw5B1 PRO 275 HG3 -0.10 -0.12 -0.14 -0.04 2.03 1.63 2zw5B1 PRO 275 HD2 -0.40 0.07 0.15 -0.04 3.68 3.46 2zw5B1 PRO 275 HD3 -0.84 0.12 0.09 -0.04 3.65 2.98 2zw5B1 VAL 276 H 0.03 0.62 0.34 -0.55 8.24 8.68 2zw5B1 VAL 276 HA -0.05 0.12 0.89 -0.75 4.13 4.34 2zw5B1 VAL 276 HB -0.03 -0.01 0.05 -0.04 2.12 2.09 2zw5B1 VAL 276 HG13 0.02 0.09 0.08 -0.04 0.97 1.12 2zw5B1 VAL 276 HG23 -0.07 0.02 -0.22 -0.04 0.95 0.63 2zw5B1 ARG 277 H -0.07 0.13 0.16 -0.55 8.46 8.12 2zw5B1 ARG 277 HA -0.13 0.08 0.71 -0.75 4.34 4.25 2zw5B1 ARG 277 HB2 -0.07 -0.04 0.12 -0.04 1.90 1.87 2zw5B1 ARG 277 HB3 -0.10 0.00 -0.02 -0.04 1.80 1.64 2zw5B1 ARG 277 HG2 -0.08 -0.06 -0.07 -0.04 1.67 1.41 2zw5B1 ARG 277 HG3 -0.06 -0.02 -0.04 -0.04 1.67 1.51 2zw5B1 ARG 277 HD2 -0.12 -0.03 -0.17 -0.04 3.22 2.87 2zw5B1 ARG 277 HD3 -0.17 0.11 0.04 -0.04 3.22 3.15 2zw5B1 ARG 278 H -0.35 0.70 0.42 -0.55 8.46 8.67 2zw5B1 ARG 278 HA -0.47 0.23 0.93 -0.75 4.34 4.27 2zw5B1 ARG 278 HB2 -1.33 0.01 0.10 -0.04 1.90 0.64 2zw5B1 ARG 278 HB3 -2.42 -0.06 0.07 -0.04 1.80 -0.65 2zw5B1 ARG 278 HG2 -0.32 0.09 -0.19 -0.04 1.67 1.20 2zw5B1 ARG 278 HG3 -0.37 -0.03 -0.08 -0.04 1.67 1.14 2zw5B1 ARG 278 HD2 -0.38 -0.04 -0.01 -0.04 3.22 2.75 2zw5B1 ARG 278 HD3 -0.30 0.12 -0.07 -0.04 3.22 2.92 2zw5B1 PRO 279 HA -0.09 0.09 0.41 -0.51 4.44 4.35 2zw5B1 PRO 279 HB2 0.13 0.05 -0.01 -0.04 2.28 2.40 2zw5B1 PRO 279 HB3 0.00 0.03 0.12 -0.04 2.02 2.13 2zw5B1 PRO 279 HG2 0.20 0.02 0.06 -0.04 2.03 2.27 2zw5B1 PRO 279 HG3 0.05 0.06 0.08 -0.04 2.03 2.17 2zw5B1 PRO 279 HD2 -0.68 0.10 0.24 -0.04 3.68 3.30 2zw5B1 PRO 279 HD3 -0.22 0.18 0.18 -0.04 3.65 3.76 2zw5B1 TRP 280 H -0.61 0.05 -0.40 -0.55 7.97 6.46 2zw5B1 TRP 280 HA 0.02 0.22 0.74 -0.75 4.62 4.85 2zw5B1 TRP 280 HB2 0.02 0.04 0.13 -0.04 3.23 3.38 2zw5B1 TRP 280 HB3 0.01 -0.00 0.02 -0.04 3.23 3.22 2zw5B1 TRP 280 HD1 0.04 0.04 -0.20 -0.04 7.22 7.06 2zw5B1 TRP 280 HE1 0.09 0.01 -0.14 -0.04 10.20 10.12 2zw5B1 TRP 280 HE3 0.00 -0.01 -0.05 -0.04 7.59 7.49 2zw5B1 TRP 280 HZ2 0.04 0.02 -0.09 -0.04 7.44 7.37 2zw5B1 TRP 280 HZ3 0.00 0.01 -0.01 -0.04 7.13 7.09 2zw5B1 TRP 280 HH2 0.01 0.02 -0.04 -0.04 7.19 7.14 2zw5B1 GLY 281 H -0.12 0.35 -0.30 -0.55 8.43 7.81 2zw5B1 GLY 281 HA2 0.01 0.02 0.28 -0.51 4.01 3.80 2zw5B1 GLY 281 HA3 0.09 0.14 0.64 -0.51 4.01 4.36 2zw5B1 ARG 282 H -0.27 0.07 -0.01 -0.55 8.46 7.70 2zw5B1 ARG 282 HA -0.02 0.31 0.83 -0.75 4.34 4.71 2zw5B1 ARG 282 HB2 0.10 -0.09 -0.21 -0.04 1.90 1.66 2zw5B1 ARG 282 HB3 0.08 0.04 -0.22 -0.04 1.80 1.66 2zw5B1 ARG 282 HG2 0.28 -0.09 -0.58 -0.04 1.67 1.24 2zw5B1 ARG 282 HG3 0.50 -0.04 -0.23 -0.04 1.67 1.86 2zw5B1 ARG 282 HD2 0.11 0.20 -0.32 -0.04 3.22 3.17 2zw5B1 ARG 282 HD3 0.20 -0.00 -0.17 -0.04 3.22 3.20 2zw5B1 SER 283 H -0.03 0.79 0.27 -0.55 8.46 8.94 2zw5B1 SER 283 HA -0.09 0.20 0.87 -0.75 4.49 4.73 2zw5B1 SER 283 HB2 -0.02 -0.11 0.09 -0.04 3.95 3.87 2zw5B1 SER 283 HB3 -0.01 -0.01 -0.16 -0.04 3.93 3.71 2zw5B1 GLU 284 H -0.01 0.64 0.27 -0.55 8.60 8.95 2zw5B1 GLU 284 HA 0.03 0.29 1.08 -0.75 4.29 4.94 2zw5B1 GLU 284 HB2 0.05 -0.03 -0.19 -0.04 2.09 1.88 2zw5B1 GLU 284 HB3 -0.07 0.14 -0.22 -0.04 1.99 1.80 2zw5B1 GLU 284 HG2 0.08 -0.04 -0.35 -0.04 2.34 1.99 2zw5B1 GLU 284 HG3 -0.00 -0.12 -0.58 -0.04 2.34 1.59 2zw5B1 PHE 285 H -0.35 0.51 0.33 -0.55 8.34 8.27 2zw5B1 PHE 285 HA 0.04 0.17 0.69 -0.75 4.62 4.77 2zw5B1 PHE 285 HB2 0.13 0.08 0.04 -0.04 3.15 3.36 2zw5B1 PHE 285 HB3 0.08 0.01 -0.25 -0.04 3.06 2.86 2zw5B1 PHE 285 HD2 0.06 -0.05 -0.25 -0.04 7.28 7.00 2zw5B1 PHE 285 HE2 0.03 0.03 -0.08 -0.04 7.38 7.32 2zw5B1 PHE 285 HZ 0.02 0.04 -0.38 -0.04 7.32 6.96 2zw5B1 VAL 286 H 0.20 0.15 0.17 -0.55 8.24 8.22 2zw5B1 VAL 286 HA -0.03 0.30 1.29 -0.75 4.13 4.93 2zw5B1 VAL 286 HB 0.07 -0.04 0.02 -0.04 2.12 2.13 2zw5B1 VAL 286 HG13 0.03 0.02 -0.40 -0.04 0.97 0.57 2zw5B1 VAL 286 HG23 0.05 -0.01 -0.21 -0.04 0.95 0.74 2zw5B1 ILE 287 H 0.02 0.90 0.38 -0.55 8.25 8.99 2zw5B1 ILE 287 HA 0.10 0.24 0.78 -0.75 4.18 4.54 2zw5B1 ILE 287 HB 0.03 -0.02 0.15 -0.04 1.89 2.02 2zw5B1 ILE 287 HG12 0.14 0.02 -0.19 -0.04 1.49 1.41 2zw5B1 ILE 287 HG13 0.22 -0.06 -0.23 -0.04 1.21 1.10 2zw5B1 ILE 287 HG23 0.05 -0.03 -0.25 -0.04 0.93 0.66 2zw5B1 ILE 287 HD13 0.13 0.00 -0.11 -0.04 0.88 0.85 2zw5B1 THR 288 H 0.04 0.79 0.26 -0.55 8.28 8.82 2zw5B1 THR 288 HA 0.02 0.24 1.05 -0.75 4.39 4.95 2zw5B1 THR 288 HB 0.01 -0.03 0.05 -0.04 4.32 4.31 2zw5B1 THR 288 HG23 0.00 0.00 -0.12 -0.04 1.22 1.06 2zw5B1 LEU 289 H 0.02 0.73 0.15 -0.55 8.37 8.72 2zw5B1 LEU 289 HA 0.01 0.10 0.46 -0.75 4.35 4.17 2zw5B1 LEU 289 HB2 0.02 -0.03 0.10 -0.04 1.64 1.69 2zw5B1 LEU 289 HB3 0.02 -0.12 0.04 -0.04 1.64 1.54 2zw5B1 LEU 289 HG 0.03 0.07 -0.09 -0.04 1.64 1.60 2zw5B1 LEU 289 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.87 2zw5B1 LEU 289 HD23 0.04 0.00 -0.07 -0.04 0.89 0.82 2zw5B1 PRO 290 HA -0.02 0.14 0.41 -0.51 4.44 4.46 2zw5B1 PRO 290 HB2 -0.01 -0.05 0.07 -0.04 2.28 2.24 2zw5B1 PRO 290 HB3 -0.01 0.07 0.11 -0.04 2.02 2.15 2zw5B1 PRO 290 HG2 0.01 -0.01 0.09 -0.04 2.03 2.07 2zw5B1 PRO 290 HG3 0.00 0.11 0.12 -0.04 2.03 2.23 2zw5B1 PRO 290 HD2 0.01 0.01 0.21 -0.04 3.68 3.87 2zw5B1 PRO 290 HD3 0.01 0.20 0.24 -0.04 3.65 4.06 2zw5B1 GLU 291 H -0.09 -0.02 -0.31 -0.55 8.60 7.64 2zw5B1 GLU 291 HA -0.11 0.21 0.51 -0.75 4.29 4.14 2zw5B1 GLU 291 HB2 -0.41 0.08 0.13 -0.04 2.09 1.85 2zw5B1 GLU 291 HB3 -0.11 0.04 0.19 -0.04 1.99 2.07 2zw5B1 GLU 291 HG2 -0.18 -0.07 -0.02 -0.04 2.34 2.03 2zw5B1 GLU 291 HG3 -0.02 0.10 0.08 -0.04 2.34 2.45 2zw5B1 GLY 292 H -0.12 0.83 -0.44 -0.55 8.43 8.14 2zw5B1 GLY 292 HA2 -0.07 0.04 0.23 -0.51 4.01 3.70 2zw5B1 GLY 292 HA3 -0.13 0.19 0.73 -0.51 4.01 4.30 2zw5B1 HIS 293 H -0.48 -0.01 -0.25 -0.55 8.41 7.13 2zw5B1 HIS 293 HA -0.03 0.13 0.44 -0.75 4.63 4.41 2zw5B1 HIS 293 HB2 -0.07 -0.10 0.01 -0.04 3.26 3.06 2zw5B1 HIS 293 HB3 -0.09 0.07 -0.01 -0.04 3.20 3.12 2zw5B1 HIS 293 HD2 -0.05 -0.08 -0.13 -0.04 6.97 6.68 2zw5B1 HIS 293 HE1 -0.01 0.11 0.06 -0.04 7.75 7.86 2zw5B1 GLU 294 H 0.05 0.71 0.36 -0.55 8.60 9.17 2zw5B1 GLU 294 HA 0.02 0.28 1.15 -0.75 4.29 4.99 2zw5B1 GLU 294 HB2 0.02 -0.10 0.19 -0.04 2.09 2.16 2zw5B1 GLU 294 HB3 0.02 -0.02 -0.03 -0.04 1.99 1.92 2zw5B1 GLU 294 HG2 0.02 0.21 -0.23 -0.04 2.34 2.30 2zw5B1 GLU 294 HG3 0.03 0.01 -0.01 -0.04 2.34 2.32 2zw5B1 LEU 295 H -0.00 0.75 0.29 -0.55 8.37 8.86 2zw5B1 LEU 295 HA -0.05 0.20 0.90 -0.75 4.35 4.64 2zw5B1 LEU 295 HB2 -0.02 -0.06 0.18 -0.04 1.64 1.70 2zw5B1 LEU 295 HB3 -0.05 0.03 -0.05 -0.04 1.64 1.53 2zw5B1 LEU 295 HG -0.03 0.02 -0.11 -0.04 1.64 1.47 2zw5B1 LEU 295 HD13 -0.03 -0.00 -0.11 -0.04 0.93 0.74 2zw5B1 LEU 295 HD23 -0.17 -0.03 -0.32 -0.04 0.89 0.33 2zw5B1 THR 296 H -0.04 0.66 0.36 -0.55 8.28 8.71 2zw5B1 THR 296 HA -0.11 0.15 0.83 -0.75 4.39 4.50 2zw5B1 THR 296 HB 0.05 -0.01 0.20 -0.04 4.32 4.53 2zw5B1 THR 296 HG23 0.02 -0.02 -0.29 -0.04 1.22 0.89 2zw5B1 VAL 297 H -0.51 0.64 0.37 -0.55 8.24 8.19 2zw5B1 VAL 297 HA -0.30 0.19 0.91 -0.75 4.13 4.18 2zw5B1 VAL 297 HB -1.54 -0.04 0.19 -0.04 2.12 0.68 2zw5B1 VAL 297 HG13 -0.17 -0.00 -0.20 -0.04 0.97 0.55 2zw5B1 VAL 297 HG23 -0.22 0.02 -0.08 -0.04 0.95 0.63 2zw5B1 SER 298 H -0.28 0.75 0.32 -0.55 8.46 8.72 2zw5B1 SER 298 HA -0.08 0.20 0.94 -0.75 4.49 4.79 2zw5B1 SER 298 HB2 -0.13 -0.04 -0.19 -0.04 3.95 3.55 2zw5B1 SER 298 HB3 -0.17 -0.01 0.02 -0.04 3.93 3.73 2zw5B1 ALA 299 H -0.00 0.55 0.33 -0.55 8.40 8.73 2zw5B1 ALA 299 HA -0.01 0.33 0.92 -0.75 4.34 4.83 2zw5B1 ALA 299 HB3 0.01 0.04 -0.09 -0.04 1.41 1.34 2zw5B1 PRO 300 HA -0.01 0.22 0.51 -0.51 4.44 4.65 2zw5B1 PRO 300 HB2 -0.08 0.01 -0.08 -0.04 2.28 2.08 2zw5B1 PRO 300 HB3 -0.04 0.09 0.00 -0.04 2.02 2.04 2zw5B1 PRO 300 HG2 -0.05 -0.01 0.07 -0.04 2.03 2.00 2zw5B1 PRO 300 HG3 -0.05 -0.05 0.09 -0.04 2.03 1.98 2zw5B1 PRO 300 HD2 -0.02 0.19 0.30 -0.04 3.68 4.11 2zw5B1 PRO 300 HD3 -0.02 0.20 0.27 -0.04 3.65 4.06 2zw5B1 VAL 301 H -0.05 0.29 -0.42 -0.55 8.24 7.52 2zw5B1 VAL 301 HA -0.09 0.19 0.25 -0.75 4.13 3.73 2zw5B1 VAL 301 HB -0.14 -0.03 0.07 -0.04 2.12 1.98 2zw5B1 VAL 301 HG13 -0.38 0.09 -0.10 -0.04 0.97 0.54 2zw5B1 VAL 301 HG23 -0.13 -0.03 -0.09 -0.04 0.95 0.66