============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 2 1.040 45.494 30.822 -28.552 -99.200 -91.000 TRP6 2 1.020 43.916 29.523 -27.355 -99.200 -91.000 HIS 10 0.900 24.643 28.031 -28.575 -99.200 -91.000 TYR 22 0.840 28.687 63.879 -25.597 -99.200 -91.000 HIS 32 0.900 40.407 56.900 -25.667 -99.200 -91.000 TRP 38 1.040 33.628 42.213 -26.738 -99.200 -91.000 TRP6 38 1.020 33.158 40.437 -28.233 -99.200 -91.000 PHE 41 1.000 36.824 32.747 -27.084 -99.200 -91.000 PHE 48 1.000 28.776 27.314 -22.232 -99.200 -91.000 TYR 50 0.840 29.803 33.384 -21.236 -99.200 -91.000 PHE 53 1.000 38.928 40.665 -20.585 -99.200 -91.000 TYR 56 0.840 45.027 52.054 -16.537 -99.200 -91.000 PHE 64 1.000 50.370 39.346 -21.805 -99.200 -91.000 HIS 82 0.900 39.043 20.830 -12.394 -99.200 -91.000 PHE 95 1.000 41.664 36.874 -13.379 -99.200 -91.000 PHE 102 1.000 51.852 43.836 -19.172 -99.200 -91.000 HIS 127 0.900 60.606 73.418 -27.949 -99.200 -91.000 TYR 133 0.840 71.157 64.688 -26.994 -99.200 -91.000 TYR 164 0.840 32.531 28.053 -10.105 -99.200 -91.000 HIS 192 0.900 38.403 44.317 -6.492 -99.200 -91.000 PHE 201 1.000 42.133 45.794 7.637 -99.200 -91.000 TYR 231 0.840 55.832 51.913 -17.246 -99.200 -91.000 TYR 235 0.840 57.879 46.507 -12.440 -99.200 -91.000 TYR 237 0.840 54.847 50.409 -4.756 -99.200 -91.000 HIS 258 0.900 33.062 38.226 -5.564 -99.200 -91.000 PHE 269 1.000 18.916 40.044 -18.016 -99.200 -91.000 TYR 278 0.840 30.068 51.068 -13.237 -99.200 -91.000 HIS 285 0.900 18.897 58.531 -16.305 -99.200 -91.000 PHE 302 1.000 16.994 39.021 -22.738 -99.200 -91.000 HIS 323 0.900 27.514 61.135 -21.441 -99.200 -91.000 PHE 327 1.000 28.114 68.634 -23.591 -99.200 -91.000 PHE 336 1.000 27.291 66.687 -12.150 -99.200 -91.000 HIS 340 0.900 30.353 57.900 -24.300 -99.200 -91.000 PHE 350 1.000 22.691 32.291 -16.995 -99.200 -91.000 TYR 352 0.840 13.983 37.754 -19.110 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j4oA1 SER 16 HA 0.03 0.02 0.20 -0.75 4.49 3.99 2j4oA1 SER 16 HB2 -0.13 -0.14 0.05 -0.04 3.95 3.68 2j4oA1 SER 16 HB3 -0.15 -0.10 0.11 -0.04 3.93 3.74 2j4oA1 TRP 17 H 0.18 0.17 0.11 -0.55 7.97 7.88 2j4oA1 TRP 17 HA -0.05 0.18 0.57 -0.75 4.62 4.57 2j4oA1 TRP 17 HB2 -0.07 0.04 0.11 -0.04 3.23 3.28 2j4oA1 TRP 17 HB3 -0.06 0.02 0.08 -0.04 3.23 3.23 2j4oA1 TRP 17 HD1 -0.08 -0.02 0.03 -0.04 7.22 7.11 2j4oA1 TRP 17 HE1 -0.11 0.06 -0.03 -0.04 10.20 10.07 2j4oA1 TRP 17 HE3 -0.11 -0.00 -0.00 -0.04 7.59 7.44 2j4oA1 TRP 17 HZ2 -0.12 -0.03 -0.23 -0.04 7.44 7.02 2j4oA1 TRP 17 HZ3 -0.15 0.03 -0.07 -0.04 7.13 6.90 2j4oA1 TRP 17 HH2 -0.15 0.04 -0.29 -0.04 7.19 6.75 2j4oA1 THR 18 H -0.59 -0.01 -0.24 -0.55 8.28 6.90 2j4oA1 THR 18 HA -1.32 0.15 0.55 -0.75 4.39 3.02 2j4oA1 THR 18 HB -0.60 -0.06 0.08 -0.04 4.32 3.70 2j4oA1 THR 18 HG23 -0.15 -0.01 -0.19 -0.04 1.22 0.83 2j4oA1 ASP 19 H -0.21 0.05 -0.21 -0.55 8.40 7.48 2j4oA1 ASP 19 HA -0.05 0.02 0.24 -0.75 4.63 4.09 2j4oA1 ASP 19 HB2 -0.06 0.26 0.01 -0.04 2.71 2.88 2j4oA1 ASP 19 HB3 -0.03 -0.01 0.05 -0.04 2.70 2.67 2j4oA1 ASP 20 H -0.15 -0.01 -1.26 -0.55 8.40 6.43 2j4oA1 ASP 20 HA -0.01 0.14 0.66 -0.75 4.63 4.66 2j4oA1 ASP 20 HB2 0.02 -0.06 0.01 -0.04 2.71 2.64 2j4oA1 ASP 20 HB3 0.02 0.00 0.01 -0.04 2.70 2.68 2j4oA1 LEU 21 H -0.16 0.23 0.02 -0.55 8.37 7.91 2j4oA1 LEU 21 HA 0.01 0.33 1.34 -0.75 4.35 5.28 2j4oA1 LEU 21 HB2 -0.08 -0.01 0.09 -0.04 1.64 1.60 2j4oA1 LEU 21 HB3 -0.02 0.02 0.11 -0.04 1.64 1.71 2j4oA1 LEU 21 HG 0.03 -0.06 -0.20 -0.04 1.64 1.37 2j4oA1 LEU 21 HD13 0.03 -0.02 0.03 -0.04 0.93 0.93 2j4oA1 LEU 21 HD23 0.02 0.12 -0.01 -0.04 0.89 0.97 2j4oA1 PRO 22 HA 0.10 -0.09 0.49 -0.51 4.44 4.42 2j4oA1 PRO 22 HB2 0.08 0.15 0.17 -0.04 2.28 2.64 2j4oA1 PRO 22 HB3 0.06 -0.04 0.16 -0.04 2.02 2.17 2j4oA1 PRO 22 HG2 0.01 0.07 0.07 -0.04 2.03 2.14 2j4oA1 PRO 22 HG3 0.02 -0.04 0.13 -0.04 2.03 2.10 2j4oA1 PRO 22 HD2 0.01 0.07 0.25 -0.04 3.68 3.96 2j4oA1 PRO 22 HD3 0.03 0.11 0.25 -0.04 3.65 4.01 2j4oA1 LEU 23 H 0.14 0.09 0.18 -0.55 8.37 8.23 2j4oA1 LEU 23 HA 0.20 0.27 0.94 -0.75 4.35 5.01 2j4oA1 LEU 23 HB2 0.12 -0.05 0.10 -0.04 1.64 1.76 2j4oA1 LEU 23 HB3 0.12 0.02 0.07 -0.04 1.64 1.81 2j4oA1 LEU 23 HG 0.15 0.06 -0.05 -0.04 1.64 1.76 2j4oA1 LEU 23 HD13 0.10 -0.02 -0.00 -0.04 0.93 0.98 2j4oA1 LEU 23 HD23 0.03 0.02 0.06 -0.04 0.89 0.96 2j4oA1 CYS 24 H 0.18 0.37 0.13 -0.55 8.50 8.63 2j4oA1 CYS 24 HA 0.37 0.07 0.64 -0.75 4.58 4.91 2j4oA1 CYS 24 HB2 0.41 0.05 -0.20 -0.04 2.97 3.19 2j4oA1 CYS 24 HB3 0.31 0.03 -0.00 -0.04 2.97 3.27 2j4oA1 HIS 25 H 0.60 0.19 0.20 -0.55 8.41 8.86 2j4oA1 HIS 25 HA 0.04 0.17 0.61 -0.75 4.63 4.69 2j4oA1 HIS 25 HB2 0.04 0.03 0.16 -0.04 3.26 3.45 2j4oA1 HIS 25 HB3 0.06 0.05 0.12 -0.04 3.20 3.39 2j4oA1 HIS 25 HD2 0.04 0.03 -0.04 -0.04 6.97 6.96 2j4oA1 HIS 25 HE1 0.18 -0.00 0.03 -0.04 7.75 7.91 2j4oA1 LEU 26 H -0.25 0.01 -0.24 -0.55 8.37 7.34 2j4oA1 LEU 26 HA -0.20 0.23 0.81 -0.75 4.35 4.44 2j4oA1 LEU 26 HB2 -0.32 -0.04 0.07 -0.04 1.64 1.31 2j4oA1 LEU 26 HB3 -0.26 0.09 0.25 -0.04 1.64 1.68 2j4oA1 LEU 26 HG -0.98 -0.11 -0.05 -0.04 1.64 0.46 2j4oA1 LEU 26 HD13 -0.19 0.02 0.02 -0.04 0.93 0.73 2j4oA1 LEU 26 HD23 -0.16 0.05 -0.05 -0.04 0.89 0.68 2j4oA1 SER 27 H -0.07 0.34 -0.43 -0.55 8.46 7.76 2j4oA1 SER 27 HA -0.21 0.28 1.07 -0.75 4.49 4.88 2j4oA1 SER 27 HB2 -0.18 0.01 0.02 -0.04 3.95 3.76 2j4oA1 SER 27 HB3 -0.22 -0.05 -0.15 -0.04 3.93 3.47 2j4oA1 GLY 28 H -0.21 0.61 0.38 -0.55 8.43 8.66 2j4oA1 GLY 28 HA2 -0.19 0.16 0.73 -0.51 4.01 4.20 2j4oA1 GLY 28 HA3 -0.21 -0.13 -0.10 -0.51 4.01 3.07 2j4oA1 VAL 29 H -0.32 0.20 0.21 -0.55 8.24 7.78 2j4oA1 VAL 29 HA -0.40 0.32 1.25 -0.75 4.13 4.55 2j4oA1 VAL 29 HB -1.04 -0.01 0.00 -0.04 2.12 1.03 2j4oA1 VAL 29 HG13 -1.39 -0.01 -0.18 -0.04 0.97 -0.65 2j4oA1 VAL 29 HG23 -0.98 -0.02 -0.26 -0.04 0.95 -0.35 2j4oA1 GLY 30 H -0.28 0.69 0.39 -0.55 8.43 8.68 2j4oA1 GLY 30 HA2 -0.15 0.17 0.84 -0.51 4.01 4.36 2j4oA1 GLY 30 HA3 -0.15 0.02 -0.03 -0.51 4.01 3.35 2j4oA1 SER 31 H -0.05 0.31 0.22 -0.55 8.46 8.39 2j4oA1 SER 31 HA -0.03 0.17 0.73 -0.75 4.49 4.61 2j4oA1 SER 31 HB2 0.09 0.01 0.14 -0.04 3.95 4.14 2j4oA1 SER 31 HB3 0.03 -0.02 -0.13 -0.04 3.93 3.77 2j4oA1 ALA 32 H 0.03 0.57 0.38 -0.55 8.40 8.82 2j4oA1 ALA 32 HA 0.02 0.09 0.65 -0.75 4.34 4.35 2j4oA1 ALA 32 HB3 0.01 0.04 -0.11 -0.04 1.41 1.31 2j4oA1 SER 33 H 0.02 0.17 0.14 -0.55 8.46 8.25 2j4oA1 SER 33 HA 0.01 -0.09 0.68 -0.75 4.49 4.34 2j4oA1 SER 33 HB2 -0.00 -0.05 0.13 -0.04 3.95 3.99 2j4oA1 SER 33 HB3 -0.02 0.03 0.14 -0.04 3.93 4.04 2j4oA1 ASN 34 H -0.11 -0.07 0.15 -0.55 8.53 7.95 2j4oA1 ASN 34 HA -0.18 0.15 0.01 -0.75 4.76 3.98 2j4oA1 ASN 34 HB2 -0.32 0.19 0.19 -0.04 2.88 2.90 2j4oA1 ASN 34 HB3 -0.21 -0.24 0.19 -0.04 2.79 2.50 2j4oA1 ASN 34 HD21 -0.55 0.58 -0.06 -0.04 7.03 6.96 2j4oA1 ASN 34 HD22 -0.28 -0.20 0.06 -0.04 7.74 7.28 2j4oA1 ARG 35 H -0.69 0.60 0.33 -0.55 8.46 8.14 2j4oA1 ARG 35 HA -0.33 0.24 0.69 -0.75 4.34 4.19 2j4oA1 ARG 35 HB2 -0.90 -0.05 -0.04 -0.04 1.90 0.87 2j4oA1 ARG 35 HB3 -0.37 -0.03 -0.08 -0.04 1.80 1.28 2j4oA1 ARG 35 HG2 -0.16 0.02 -0.05 -0.04 1.67 1.45 2j4oA1 ARG 35 HG3 -0.21 0.22 -0.42 -0.04 1.67 1.22 2j4oA1 ARG 35 HD2 0.02 -0.05 -0.09 -0.04 3.22 3.06 2j4oA1 ARG 35 HD3 0.04 -0.04 -0.09 -0.04 3.22 3.09 2j4oA1 SER 36 H -0.27 0.43 0.36 -0.55 8.46 8.43 2j4oA1 SER 36 HA -0.42 0.16 1.04 -0.75 4.49 4.52 2j4oA1 SER 36 HB2 -0.14 0.13 0.03 -0.04 3.95 3.93 2j4oA1 SER 36 HB3 -0.17 -0.05 0.02 -0.04 3.93 3.69 2j4oA1 TYR 37 H -0.54 0.65 0.30 -0.55 8.29 8.14 2j4oA1 TYR 37 HA -0.11 -0.02 0.67 -0.75 4.56 4.34 2j4oA1 TYR 37 HB2 -0.99 0.11 0.13 -0.04 3.06 2.27 2j4oA1 TYR 37 HB3 -0.18 0.00 0.05 -0.04 2.98 2.81 2j4oA1 TYR 37 HD2 -0.54 0.06 -0.06 -0.04 7.15 6.58 2j4oA1 TYR 37 HE2 0.12 0.04 -0.15 -0.04 6.85 6.83 2j4oA1 SER 38 H 0.12 0.38 0.29 -0.55 8.46 8.71 2j4oA1 SER 38 HA 0.05 -0.02 0.35 -0.75 4.49 4.12 2j4oA1 SER 38 HB2 0.06 0.20 -0.08 -0.04 3.95 4.08 2j4oA1 SER 38 HB3 0.08 -0.20 -0.20 -0.04 3.93 3.57 2j4oA1 ALA 39 H 0.07 0.07 0.09 -0.55 8.40 8.08 2j4oA1 ALA 39 HA 0.15 0.13 0.37 -0.75 4.34 4.24 2j4oA1 ALA 39 HB3 0.06 -0.02 0.10 -0.04 1.41 1.50 2j4oA1 ASP 40 H 0.05 0.06 -0.13 -0.55 8.40 7.84 2j4oA1 ASP 40 HA 0.04 0.14 0.60 -0.75 4.63 4.65 2j4oA1 ASP 40 HB2 0.03 -0.04 0.13 -0.04 2.71 2.79 2j4oA1 ASP 40 HB3 0.02 0.04 0.09 -0.04 2.70 2.82 2j4oA1 GLY 41 H 0.09 0.62 -0.27 -0.55 8.43 8.32 2j4oA1 GLY 41 HA2 0.13 0.05 0.21 -0.51 4.01 3.88 2j4oA1 GLY 41 HA3 0.10 0.05 0.27 -0.51 4.01 3.92 2j4oA1 LYS 42 H 0.07 0.11 -0.06 -0.55 8.42 7.99 2j4oA1 LYS 42 HA 0.04 -0.03 0.41 -0.75 4.32 3.99 2j4oA1 LYS 42 HB2 0.03 0.12 -0.30 -0.04 1.87 1.68 2j4oA1 LYS 42 HB3 0.03 -0.09 0.16 -0.04 1.79 1.85 2j4oA1 LYS 42 HG2 0.02 -0.11 0.09 -0.04 1.46 1.41 2j4oA1 LYS 42 HG3 0.02 -0.02 0.25 -0.04 1.46 1.67 2j4oA1 LYS 42 HD2 0.02 0.30 0.03 -0.04 1.69 1.99 2j4oA1 LYS 42 HD3 0.01 -0.12 0.01 -0.04 1.68 1.54 2j4oA1 LYS 42 HE2 0.01 -0.10 0.03 -0.04 2.99 2.89 2j4oA1 LYS 42 HE3 0.01 -0.02 0.06 -0.04 2.99 3.00 2j4oA1 GLY 43 H 0.06 0.13 0.11 -0.55 8.43 8.19 2j4oA1 GLY 43 HA2 0.04 -0.02 0.40 -0.51 4.01 3.92 2j4oA1 GLY 43 HA3 0.04 0.27 0.94 -0.51 4.01 4.74 2j4oA1 THR 44 H 0.03 0.17 0.21 -0.55 8.28 8.14 2j4oA1 THR 44 HA 0.02 0.33 1.08 -0.75 4.39 5.06 2j4oA1 THR 44 HB -0.06 -0.00 0.09 -0.04 4.32 4.30 2j4oA1 THR 44 HG23 0.17 -0.01 -0.19 -0.04 1.22 1.14 2j4oA1 GLU 45 H -0.10 0.36 0.35 -0.55 8.60 8.67 2j4oA1 GLU 45 HA -0.04 0.14 0.83 -0.75 4.29 4.47 2j4oA1 GLU 45 HB2 -0.06 0.02 0.06 -0.04 2.09 2.08 2j4oA1 GLU 45 HB3 -0.04 0.00 -0.01 -0.04 1.99 1.91 2j4oA1 GLU 45 HG2 -0.01 0.03 0.03 -0.04 2.34 2.35 2j4oA1 GLU 45 HG3 -0.01 0.00 -0.42 -0.04 2.34 1.87 2j4oA1 SER 46 H -0.05 0.27 0.17 -0.55 8.46 8.30 2j4oA1 SER 46 HA -0.21 0.11 0.74 -0.75 4.49 4.38 2j4oA1 SER 46 HB2 -0.07 -0.07 -0.03 -0.04 3.95 3.74 2j4oA1 SER 46 HB3 -0.15 0.08 -0.01 -0.04 3.93 3.81 2j4oA1 HIS 47 H -0.47 0.11 0.07 -0.55 8.41 7.57 2j4oA1 HIS 47 HA -0.02 0.20 0.78 -0.75 4.63 4.84 2j4oA1 HIS 47 HB2 -0.01 0.04 0.11 -0.04 3.26 3.36 2j4oA1 HIS 47 HB3 -0.02 -0.00 -0.01 -0.04 3.20 3.12 2j4oA1 HIS 47 HD2 -0.03 0.04 -0.03 -0.04 6.97 6.90 2j4oA1 HIS 47 HE1 0.00 -0.16 -0.00 -0.04 7.75 7.55 2j4oA1 PRO 48 HA 0.07 0.13 0.47 -0.51 4.44 4.60 2j4oA1 PRO 48 HB2 0.06 -0.06 0.05 -0.04 2.28 2.29 2j4oA1 PRO 48 HB3 0.05 0.07 0.09 -0.04 2.02 2.19 2j4oA1 PRO 48 HG2 0.03 0.03 0.08 -0.04 2.03 2.13 2j4oA1 PRO 48 HG3 0.04 0.07 0.06 -0.04 2.03 2.17 2j4oA1 PRO 48 HD2 0.07 0.04 0.18 -0.04 3.68 3.93 2j4oA1 PRO 48 HD3 0.08 0.15 0.20 -0.04 3.65 4.04 2j4oA1 PRO 49 HA 0.11 -0.06 0.54 -0.51 4.44 4.51 2j4oA1 PRO 49 HB2 0.06 0.01 0.04 -0.04 2.28 2.35 2j4oA1 PRO 49 HB3 0.03 -0.04 0.18 -0.04 2.02 2.15 2j4oA1 PRO 49 HG2 0.04 0.05 0.11 -0.04 2.03 2.19 2j4oA1 PRO 49 HG3 0.03 0.05 0.09 -0.04 2.03 2.16 2j4oA1 PRO 49 HD2 0.04 0.08 0.23 -0.04 3.68 3.99 2j4oA1 PRO 49 HD3 0.02 0.18 0.21 -0.04 3.65 4.02 2j4oA1 GLU 50 H 0.12 -0.01 0.24 -0.55 8.60 8.40 2j4oA1 GLU 50 HA 0.05 0.26 0.89 -0.75 4.29 4.73 2j4oA1 GLU 50 HB2 0.10 0.06 0.01 -0.04 2.09 2.21 2j4oA1 GLU 50 HB3 0.04 -0.00 -0.03 -0.04 1.99 1.95 2j4oA1 GLU 50 HG2 0.01 -0.04 -0.45 -0.04 2.34 1.83 2j4oA1 GLU 50 HG3 0.13 0.17 -0.33 -0.04 2.34 2.26 2j4oA1 ASP 51 H 0.09 0.00 0.12 -0.55 8.40 8.06 2j4oA1 ASP 51 HA 0.14 0.22 0.97 -0.75 4.63 5.21 2j4oA1 ASP 51 HB2 0.12 -0.07 0.06 -0.04 2.71 2.78 2j4oA1 ASP 51 HB3 0.18 0.06 0.01 -0.04 2.70 2.91 2j4oA1 SER 52 H 0.25 0.51 0.42 -0.55 8.46 9.09 2j4oA1 SER 52 HA 0.01 0.10 0.40 -0.75 4.49 4.25 2j4oA1 SER 52 HB2 0.00 0.11 -0.38 -0.04 3.95 3.65 2j4oA1 SER 52 HB3 0.13 -0.03 -0.18 -0.04 3.93 3.82 2j4oA1 TRP 53 H -0.47 0.34 0.20 -0.55 7.97 7.49 2j4oA1 TRP 53 HA 0.16 0.16 0.66 -0.75 4.62 4.85 2j4oA1 TRP 53 HB2 0.01 0.02 0.15 -0.04 3.23 3.37 2j4oA1 TRP 53 HB3 0.01 -0.02 -0.00 -0.04 3.23 3.18 2j4oA1 TRP 53 HD1 0.03 -0.05 -0.32 -0.04 7.22 6.84 2j4oA1 TRP 53 HE1 0.00 0.02 -0.14 -0.04 10.20 10.05 2j4oA1 TRP 53 HE3 -0.06 -0.02 -0.42 -0.04 7.59 7.05 2j4oA1 TRP 53 HZ2 -0.02 0.02 -0.08 -0.04 7.44 7.32 2j4oA1 TRP 53 HZ3 -0.11 0.02 -0.09 -0.04 7.13 6.91 2j4oA1 TRP 53 HH2 -0.04 0.04 -0.06 -0.04 7.19 7.09 2j4oA1 LEU 54 H 0.42 0.49 0.37 -0.55 8.37 9.10 2j4oA1 LEU 54 HA 0.01 0.09 0.49 -0.75 4.35 4.18 2j4oA1 LEU 54 HB2 -0.23 0.04 0.02 -0.04 1.64 1.42 2j4oA1 LEU 54 HB3 0.05 0.16 -0.08 -0.04 1.64 1.73 2j4oA1 LEU 54 HG 0.38 -0.11 -0.16 -0.04 1.64 1.71 2j4oA1 LEU 54 HD13 0.22 0.01 -0.43 -0.04 0.93 0.68 2j4oA1 LEU 54 HD23 0.28 0.00 -0.16 -0.04 0.89 0.97 2j4oA1 LYS 55 H -0.40 0.27 0.04 -0.55 8.42 7.78 2j4oA1 LYS 55 HA 0.14 0.21 0.87 -0.75 4.32 4.79 2j4oA1 LYS 55 HB2 0.22 -0.03 0.11 -0.04 1.87 2.13 2j4oA1 LYS 55 HB3 0.28 0.01 0.01 -0.04 1.79 2.05 2j4oA1 LYS 55 HG2 0.35 -0.08 -0.17 -0.04 1.46 1.52 2j4oA1 LYS 55 HG3 0.09 0.04 0.18 -0.04 1.46 1.73 2j4oA1 LYS 55 HD2 -0.08 -0.04 -0.19 -0.04 1.69 1.34 2j4oA1 LYS 55 HD3 -0.01 -0.01 -0.07 -0.04 1.68 1.55 2j4oA1 LYS 55 HE2 0.09 -0.10 0.09 -0.04 2.99 3.04 2j4oA1 LYS 55 HE3 0.10 0.00 0.08 -0.04 2.99 3.13 2j4oA1 PHE 56 H -0.09 0.88 0.36 -0.55 8.34 8.93 2j4oA1 PHE 56 HA 0.04 0.31 1.29 -0.75 4.62 5.51 2j4oA1 PHE 56 HB2 -0.04 -0.08 0.07 -0.04 3.15 3.05 2j4oA1 PHE 56 HB3 -0.04 0.09 -0.06 -0.04 3.06 3.02 2j4oA1 PHE 56 HD2 -0.02 0.16 0.02 -0.04 7.28 7.40 2j4oA1 PHE 56 HE2 -0.11 0.07 -0.05 -0.04 7.38 7.25 2j4oA1 PHE 56 HZ -0.20 -0.04 -0.10 -0.04 7.32 6.94 2j4oA1 ARG 57 H 0.21 0.63 0.18 -0.55 8.46 8.93 2j4oA1 ARG 57 HA -0.32 0.17 1.04 -0.75 4.34 4.48 2j4oA1 ARG 57 HB2 -0.25 0.01 0.02 -0.04 1.90 1.65 2j4oA1 ARG 57 HB3 0.34 -0.13 -0.11 -0.04 1.80 1.86 2j4oA1 ARG 57 HG2 0.14 0.10 -0.16 -0.04 1.67 1.71 2j4oA1 ARG 57 HG3 0.04 -0.01 -0.13 -0.04 1.67 1.52 2j4oA1 ARG 57 HD2 0.32 0.09 -0.11 -0.04 3.22 3.48 2j4oA1 ARG 57 HD3 0.16 -0.00 -0.03 -0.04 3.22 3.31 2j4oA1 SER 58 H -0.26 0.55 0.32 -0.55 8.46 8.52 2j4oA1 SER 58 HA -0.06 0.18 0.94 -0.75 4.49 4.80 2j4oA1 SER 58 HB2 -0.03 0.03 0.16 -0.04 3.95 4.07 2j4oA1 SER 58 HB3 -0.05 -0.02 -0.02 -0.04 3.93 3.80 2j4oA1 GLU 59 H -0.04 0.14 0.14 -0.55 8.60 8.29 2j4oA1 GLU 59 HA -0.04 -0.01 0.35 -0.75 4.29 3.84 2j4oA1 GLU 59 HB2 -0.03 0.05 0.02 -0.04 2.09 2.09 2j4oA1 GLU 59 HB3 -0.02 -0.02 0.09 -0.04 1.99 2.00 2j4oA1 GLU 59 HG2 -0.01 0.05 0.06 -0.04 2.34 2.40 2j4oA1 GLU 59 HG3 -0.01 0.00 0.11 -0.04 2.34 2.40 2j4oA1 ASN 60 H -0.02 0.12 0.17 -0.55 8.53 8.25 2j4oA1 ASN 60 HA 0.01 0.01 0.37 -0.75 4.76 4.40 2j4oA1 ASN 60 HB2 -0.02 0.04 -0.12 -0.04 2.88 2.74 2j4oA1 ASN 60 HB3 -0.00 0.01 0.22 -0.04 2.79 2.98 2j4oA1 ASN 60 HD21 0.00 0.01 0.04 -0.04 7.03 7.04 2j4oA1 ASN 60 HD22 0.00 0.02 0.06 -0.04 7.74 7.78 2j4oA1 ASN 61 H -0.05 -0.02 -0.37 -0.55 8.53 7.54 2j4oA1 ASN 61 HA -0.30 0.13 0.39 -0.75 4.76 4.24 2j4oA1 ASN 61 HB2 0.11 0.00 -0.09 -0.04 2.88 2.87 2j4oA1 ASN 61 HB3 0.32 -0.03 0.08 -0.04 2.79 3.11 2j4oA1 ASN 61 HD21 0.24 0.01 -0.01 -0.04 7.03 7.23 2j4oA1 ASN 61 HD22 0.39 -0.01 -0.01 -0.04 7.74 8.06 2j4oA1 CYS 62 H -0.31 0.58 0.24 -0.55 8.50 8.46 2j4oA1 CYS 62 HA 0.11 0.32 1.05 -0.75 4.58 5.30 2j4oA1 CYS 62 HB2 0.04 -0.07 0.09 -0.04 2.97 2.99 2j4oA1 CYS 62 HB3 -0.02 0.00 -0.06 -0.04 2.97 2.85 2j4oA1 PHE 63 H 0.31 0.49 0.42 -0.55 8.34 9.01 2j4oA1 PHE 63 HA -0.03 0.31 1.27 -0.75 4.62 5.41 2j4oA1 PHE 63 HB2 0.18 -0.09 0.06 -0.04 3.15 3.25 2j4oA1 PHE 63 HB3 -0.36 0.04 0.03 -0.04 3.06 2.72 2j4oA1 PHE 63 HD2 0.12 0.04 -0.15 -0.04 7.28 7.25 2j4oA1 PHE 63 HE2 0.13 -0.01 -0.11 -0.04 7.38 7.36 2j4oA1 PHE 63 HZ 0.13 0.00 -0.05 -0.04 7.32 7.36 2j4oA1 LEU 64 H -0.17 0.87 0.39 -0.55 8.37 8.92 2j4oA1 LEU 64 HA 0.02 0.26 1.06 -0.75 4.35 4.93 2j4oA1 LEU 64 HB2 0.07 0.01 -0.17 -0.04 1.64 1.51 2j4oA1 LEU 64 HB3 0.12 -0.05 0.07 -0.04 1.64 1.75 2j4oA1 LEU 64 HG 0.16 -0.04 -0.38 -0.04 1.64 1.34 2j4oA1 LEU 64 HD13 0.15 0.03 -0.06 -0.04 0.93 1.01 2j4oA1 LEU 64 HD23 0.16 -0.00 -0.22 -0.04 0.89 0.79 2j4oA1 TYR 65 H 0.15 0.69 0.38 -0.55 8.29 8.96 2j4oA1 TYR 65 HA 0.12 0.37 1.05 -0.75 4.56 5.35 2j4oA1 TYR 65 HB2 0.09 -0.05 0.04 -0.04 3.06 3.09 2j4oA1 TYR 65 HB3 0.05 0.00 0.05 -0.04 2.98 3.04 2j4oA1 TYR 65 HD2 0.09 0.06 -0.05 -0.04 7.15 7.20 2j4oA1 TYR 65 HE2 0.08 -0.02 -0.16 -0.04 6.85 6.71 2j4oA1 GLY 66 H 0.20 0.53 0.40 -0.55 8.43 9.01 2j4oA1 GLY 66 HA2 -0.04 0.26 0.85 -0.51 4.01 4.58 2j4oA1 GLY 66 HA3 -0.09 0.01 0.33 -0.51 4.01 3.76 2j4oA1 VAL 67 H -0.38 0.65 0.36 -0.55 8.24 8.32 2j4oA1 VAL 67 HA -0.07 0.25 1.06 -0.75 4.13 4.62 2j4oA1 VAL 67 HB -0.06 -0.03 -0.01 -0.04 2.12 1.97 2j4oA1 VAL 67 HG13 0.04 -0.03 -0.26 -0.04 0.97 0.68 2j4oA1 VAL 67 HG23 0.02 0.02 -0.24 -0.04 0.95 0.71 2j4oA1 PHE 68 H 0.12 0.78 0.34 -0.55 8.34 9.02 2j4oA1 PHE 68 HA 0.10 0.30 1.18 -0.75 4.62 5.45 2j4oA1 PHE 68 HB2 0.05 -0.07 -0.05 -0.04 3.15 3.03 2j4oA1 PHE 68 HB3 0.05 0.06 -0.04 -0.04 3.06 3.09 2j4oA1 PHE 68 HD2 0.06 0.00 -0.40 -0.04 7.28 6.90 2j4oA1 PHE 68 HE2 0.06 0.02 -0.33 -0.04 7.38 7.09 2j4oA1 PHE 68 HZ 0.07 0.04 -0.25 -0.04 7.32 7.14 2j4oA1 ASN 69 H 0.19 0.62 0.36 -0.55 8.53 9.15 2j4oA1 ASN 69 HA 0.13 0.10 0.99 -0.75 4.76 5.21 2j4oA1 ASN 69 HB2 0.07 -0.15 0.08 -0.04 2.88 2.84 2j4oA1 ASN 69 HB3 0.10 -0.03 0.25 -0.04 2.79 3.07 2j4oA1 ASN 69 HD21 0.02 0.09 -0.00 -0.04 7.03 7.10 2j4oA1 ASN 69 HD22 0.03 -0.11 0.06 -0.04 7.74 7.68 2j4oA1 GLY 70 H 0.11 0.47 0.20 -0.55 8.43 8.67 2j4oA1 GLY 70 HA2 0.10 0.16 1.04 -0.51 4.01 4.80 2j4oA1 GLY 70 HA3 0.03 0.06 0.54 -0.51 4.01 4.14 2j4oA1 TYR 71 H -0.20 0.51 0.38 -0.55 8.29 8.43 2j4oA1 TYR 71 HA -0.04 0.04 0.52 -0.75 4.56 4.33 2j4oA1 TYR 71 HB2 -0.03 -0.01 0.12 -0.04 3.06 3.10 2j4oA1 TYR 71 HB3 -0.01 0.08 -0.06 -0.04 2.98 2.95 2j4oA1 TYR 71 HD2 -0.02 0.00 -0.24 -0.04 7.15 6.86 2j4oA1 TYR 71 HE2 -0.03 0.01 -0.14 -0.04 6.85 6.65 2j4oA1 ASP 72 H 0.02 0.13 0.16 -0.55 8.40 8.17 2j4oA1 ASP 72 HA -0.04 0.05 0.35 -0.75 4.63 4.23 2j4oA1 ASP 72 HB2 -0.31 0.13 -0.03 -0.04 2.71 2.46 2j4oA1 ASP 72 HB3 -0.09 -0.03 0.31 -0.04 2.70 2.85 2j4oA1 GLY 73 H -0.08 0.01 -0.05 -0.55 8.43 7.76 2j4oA1 GLY 73 HA2 -0.04 0.06 0.30 -0.51 4.01 3.82 2j4oA1 GLY 73 HA3 -0.04 0.27 0.77 -0.51 4.01 4.49 2j4oA1 ASN 74 H -0.02 0.21 0.11 -0.55 8.53 8.28 2j4oA1 ASN 74 HA -0.03 0.17 0.93 -0.75 4.76 5.07 2j4oA1 ASN 74 HB2 -0.01 -0.02 0.16 -0.04 2.88 2.97 2j4oA1 ASN 74 HB3 0.01 0.13 0.06 -0.04 2.79 2.95 2j4oA1 ASN 74 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.96 2j4oA1 ASN 74 HD22 -0.01 0.02 0.00 -0.04 7.74 7.72 2j4oA1 ARG 75 H -0.03 0.25 -0.04 -0.55 8.46 8.08 2j4oA1 ARG 75 HA 0.01 0.08 0.50 -0.75 4.34 4.17 2j4oA1 ARG 75 HB2 0.02 0.21 0.13 -0.04 1.90 2.22 2j4oA1 ARG 75 HB3 0.06 0.05 0.06 -0.04 1.80 1.93 2j4oA1 ARG 75 HG2 0.01 -0.08 0.03 -0.04 1.67 1.60 2j4oA1 ARG 75 HG3 0.00 -0.10 0.12 -0.04 1.67 1.65 2j4oA1 ARG 75 HD2 0.02 -0.10 0.01 -0.04 3.22 3.11 2j4oA1 ARG 75 HD3 0.03 0.45 0.13 -0.04 3.22 3.79 2j4oA1 VAL 76 H -0.12 0.18 -0.15 -0.55 8.24 7.61 2j4oA1 VAL 76 HA -0.22 0.14 0.39 -0.75 4.13 3.68 2j4oA1 VAL 76 HB -0.29 0.05 -0.22 -0.04 2.12 1.61 2j4oA1 VAL 76 HG13 -0.50 0.01 -0.36 -0.04 0.97 0.08 2j4oA1 VAL 76 HG23 -0.66 0.10 -0.23 -0.04 0.95 0.12 2j4oA1 THR 77 H -0.09 0.13 -0.32 -0.55 8.28 7.45 2j4oA1 THR 77 HA -0.11 0.02 0.21 -0.75 4.39 3.75 2j4oA1 THR 77 HB 0.06 -0.07 -0.09 -0.04 4.32 4.17 2j4oA1 THR 77 HG23 -0.01 0.12 0.12 -0.04 1.22 1.41 2j4oA1 ASN 78 H -0.06 0.45 -0.33 -0.55 8.53 8.05 2j4oA1 ASN 78 HA -0.16 -0.00 0.38 -0.75 4.76 4.23 2j4oA1 ASN 78 HB2 -0.02 0.14 0.10 -0.04 2.88 3.06 2j4oA1 ASN 78 HB3 -0.06 -0.04 -0.01 -0.04 2.79 2.63 2j4oA1 ASN 78 HD21 -0.04 -0.04 -0.03 -0.04 7.03 6.88 2j4oA1 ASN 78 HD22 -0.02 -0.01 -0.02 -0.04 7.74 7.65 2j4oA1 PHE 79 H 0.08 0.55 -0.16 -0.55 8.34 8.27 2j4oA1 PHE 79 HA -0.03 -0.00 0.39 -0.75 4.62 4.22 2j4oA1 PHE 79 HB2 0.03 0.10 0.10 -0.04 3.15 3.34 2j4oA1 PHE 79 HB3 -0.10 0.03 0.13 -0.04 3.06 3.07 2j4oA1 PHE 79 HD2 0.05 0.01 -0.22 -0.04 7.28 7.08 2j4oA1 PHE 79 HE2 0.09 0.07 -0.04 -0.04 7.38 7.45 2j4oA1 PHE 79 HZ 0.09 -0.01 -0.32 -0.04 7.32 7.04 2j4oA1 VAL 80 H -0.01 0.74 -0.23 -0.55 8.24 8.18 2j4oA1 VAL 80 HA -0.00 0.01 0.30 -0.75 4.13 3.69 2j4oA1 VAL 80 HB -0.29 0.09 -0.00 -0.04 2.12 1.88 2j4oA1 VAL 80 HG13 -0.16 -0.02 -0.28 -0.04 0.97 0.46 2j4oA1 VAL 80 HG23 -0.03 0.03 -0.14 -0.04 0.95 0.77 2j4oA1 ALA 81 H -0.47 0.61 -0.15 -0.55 8.40 7.84 2j4oA1 ALA 81 HA -0.50 -0.03 0.24 -0.75 4.34 3.29 2j4oA1 ALA 81 HB3 -0.38 0.01 -0.00 -0.04 1.41 1.00 2j4oA1 GLN 82 H -0.20 0.65 -0.20 -0.55 8.47 8.17 2j4oA1 GLN 82 HA -0.13 -0.03 0.39 -0.75 4.36 3.84 2j4oA1 GLN 82 HB2 -0.20 0.19 0.17 -0.04 2.15 2.27 2j4oA1 GLN 82 HB3 -0.07 -0.07 -0.02 -0.04 2.02 1.82 2j4oA1 GLN 82 HG2 -0.14 0.02 0.06 -0.04 2.40 2.29 2j4oA1 GLN 82 HG3 -0.10 0.00 -0.01 -0.04 2.39 2.24 2j4oA1 GLN 82 HE21 -0.17 -0.24 0.05 -0.04 6.97 6.56 2j4oA1 GLN 82 HE22 0.01 0.08 0.01 -0.04 7.69 7.75 2j4oA1 ARG 83 H -0.24 0.71 -0.08 -0.55 8.46 8.30 2j4oA1 ARG 83 HA -0.06 0.03 0.38 -0.75 4.34 3.93 2j4oA1 ARG 83 HB2 -0.58 0.06 0.06 -0.04 1.90 1.39 2j4oA1 ARG 83 HB3 -0.16 0.03 0.04 -0.04 1.80 1.66 2j4oA1 ARG 83 HG2 -0.05 0.03 -0.10 -0.04 1.67 1.51 2j4oA1 ARG 83 HG3 -0.04 -0.02 -0.20 -0.04 1.67 1.37 2j4oA1 ARG 83 HD2 -0.07 -0.08 0.05 -0.04 3.22 3.09 2j4oA1 ARG 83 HD3 -0.16 0.02 -0.04 -0.04 3.22 2.99 2j4oA1 LEU 84 H -0.11 0.71 -0.12 -0.55 8.37 8.31 2j4oA1 LEU 84 HA -0.08 0.04 0.31 -0.75 4.35 3.86 2j4oA1 LEU 84 HB2 -0.11 0.43 0.08 -0.04 1.64 1.99 2j4oA1 LEU 84 HB3 0.02 -0.01 -0.14 -0.04 1.64 1.47 2j4oA1 LEU 84 HG -0.09 -0.05 -0.16 -0.04 1.64 1.30 2j4oA1 LEU 84 HD13 -0.58 -0.01 -0.15 -0.04 0.93 0.15 2j4oA1 LEU 84 HD23 -0.07 -0.02 -0.20 -0.04 0.89 0.56 2j4oA1 SER 85 H 0.02 0.46 -0.38 -0.55 8.46 8.01 2j4oA1 SER 85 HA 0.09 -0.02 0.30 -0.75 4.49 4.10 2j4oA1 SER 85 HB2 0.01 0.22 0.13 -0.04 3.95 4.27 2j4oA1 SER 85 HB3 -0.16 -0.06 -0.05 -0.04 3.93 3.62 2j4oA1 ALA 86 H 0.25 0.44 -0.19 -0.55 8.40 8.36 2j4oA1 ALA 86 HA 0.17 -0.00 0.36 -0.75 4.34 4.10 2j4oA1 ALA 86 HB3 0.04 0.03 0.08 -0.04 1.41 1.51 2j4oA1 GLU 87 H 0.05 0.46 -0.42 -0.55 8.60 8.14 2j4oA1 GLU 87 HA -0.01 0.11 0.63 -0.75 4.29 4.26 2j4oA1 GLU 87 HB2 0.01 0.07 0.08 -0.04 2.09 2.21 2j4oA1 GLU 87 HB3 0.02 -0.08 0.15 -0.04 1.99 2.03 2j4oA1 GLU 87 HG2 -0.01 0.17 -0.04 -0.04 2.34 2.42 2j4oA1 GLU 87 HG3 0.01 -0.03 -0.02 -0.04 2.34 2.25 2j4oA1 LEU 88 H 0.07 0.31 -0.33 -0.55 8.37 7.87 2j4oA1 LEU 88 HA 0.05 0.16 0.90 -0.75 4.35 4.71 2j4oA1 LEU 88 HB2 0.08 0.09 -0.06 -0.04 1.64 1.71 2j4oA1 LEU 88 HB3 0.08 -0.10 -0.08 -0.04 1.64 1.50 2j4oA1 LEU 88 HG 0.05 0.02 -0.48 -0.04 1.64 1.19 2j4oA1 LEU 88 HD13 0.11 -0.02 -0.17 -0.04 0.93 0.81 2j4oA1 LEU 88 HD23 0.08 0.02 -0.12 -0.04 0.89 0.83 2j4oA1 LEU 89 H 0.10 0.61 0.14 -0.55 8.37 8.68 2j4oA1 LEU 89 HA 0.03 0.17 0.93 -0.75 4.35 4.74 2j4oA1 LEU 89 HB2 0.14 0.14 0.05 -0.04 1.64 1.93 2j4oA1 LEU 89 HB3 0.02 -0.03 0.13 -0.04 1.64 1.72 2j4oA1 LEU 89 HG 0.07 0.02 -0.10 -0.04 1.64 1.59 2j4oA1 LEU 89 HD13 -0.07 -0.01 -0.10 -0.04 0.93 0.71 2j4oA1 LEU 89 HD23 0.04 0.03 -0.35 -0.04 0.89 0.56 2j4oA1 LEU 90 H 0.01 0.13 -0.26 -0.55 8.37 7.70 2j4oA1 LEU 90 HA -0.02 0.25 0.93 -0.75 4.35 4.75 2j4oA1 LEU 90 HB2 -0.10 0.08 0.11 -0.04 1.64 1.68 2j4oA1 LEU 90 HB3 -0.13 -0.00 0.20 -0.04 1.64 1.67 2j4oA1 LEU 90 HG -0.12 -0.06 -0.15 -0.04 1.64 1.27 2j4oA1 LEU 90 HD13 -0.54 0.06 0.07 -0.04 0.93 0.47 2j4oA1 LEU 90 HD23 -0.34 0.02 -0.02 -0.04 0.89 0.51 2j4oA1 GLY 91 H 0.00 0.14 -0.42 -0.55 8.43 7.61 2j4oA1 GLY 91 HA2 -0.00 0.09 0.26 -0.51 4.01 3.85 2j4oA1 GLY 91 HA3 -0.01 0.22 0.72 -0.51 4.01 4.44 2j4oA1 GLN 92 H 0.01 0.03 -0.39 -0.55 8.47 7.58 2j4oA1 GLN 92 HA 0.05 0.05 0.26 -0.75 4.36 3.97 2j4oA1 GLN 92 HB2 0.04 -0.01 -0.05 -0.04 2.15 2.09 2j4oA1 GLN 92 HB3 0.03 -0.02 0.08 -0.04 2.02 2.08 2j4oA1 GLN 92 HG2 0.01 0.18 -0.02 -0.04 2.40 2.52 2j4oA1 GLN 92 HG3 0.00 -0.03 -0.07 -0.04 2.39 2.25 2j4oA1 GLN 92 HE21 -0.05 0.19 0.03 -0.04 6.97 7.10 2j4oA1 GLN 92 HE22 -0.03 -0.01 -0.01 -0.04 7.69 7.59 2j4oA1 LEU 93 H 0.04 -0.04 -0.65 -0.55 8.37 7.18 2j4oA1 LEU 93 HA 0.15 0.18 0.95 -0.75 4.35 4.87 2j4oA1 LEU 93 HB2 0.03 0.07 -0.03 -0.04 1.64 1.67 2j4oA1 LEU 93 HB3 0.03 -0.10 -0.09 -0.04 1.64 1.44 2j4oA1 LEU 93 HG 0.06 0.04 -0.18 -0.04 1.64 1.51 2j4oA1 LEU 93 HD13 0.06 -0.01 -0.13 -0.04 0.93 0.82 2j4oA1 LEU 93 HD23 0.07 0.01 -0.08 -0.04 0.89 0.86 2j4oA1 ASN 94 H -0.16 0.18 0.07 -0.55 8.53 8.07 2j4oA1 ASN 94 HA -0.09 0.10 0.33 -0.75 4.76 4.35 2j4oA1 ASN 94 HB2 -0.11 0.01 0.00 -0.04 2.88 2.74 2j4oA1 ASN 94 HB3 -0.11 0.27 -0.04 -0.04 2.79 2.87 2j4oA1 ASN 94 HD21 -0.09 -0.02 -0.14 -0.04 7.03 6.74 2j4oA1 ASN 94 HD22 -0.07 0.17 -0.25 -0.04 7.74 7.55 2j4oA1 ALA 95 H -0.05 0.31 0.09 -0.55 8.40 8.21 2j4oA1 ALA 95 HA -0.00 -0.05 0.56 -0.75 4.34 4.09 2j4oA1 ALA 95 HB3 0.04 0.03 0.17 -0.04 1.41 1.61 2j4oA1 GLU 96 H -0.07 -0.20 0.41 -0.55 8.60 8.19 2j4oA1 GLU 96 HA 0.01 0.09 0.43 -0.75 4.29 4.07 2j4oA1 GLU 96 HB2 -0.12 0.01 -0.21 -0.04 2.09 1.73 2j4oA1 GLU 96 HB3 -0.00 0.01 0.00 -0.04 1.99 1.95 2j4oA1 GLU 96 HG2 -0.01 -0.02 0.08 -0.04 2.34 2.35 2j4oA1 GLU 96 HG3 -0.05 0.39 -0.53 -0.04 2.34 2.11 2j4oA1 HIS 97 H -0.12 0.17 0.30 -0.55 8.41 8.22 2j4oA1 HIS 97 HA 0.01 0.13 0.43 -0.75 4.63 4.45 2j4oA1 HIS 97 HB2 -0.01 -0.08 0.18 -0.04 3.26 3.31 2j4oA1 HIS 97 HB3 -0.02 -0.07 0.00 -0.04 3.20 3.07 2j4oA1 HIS 97 HD2 0.00 -0.01 -0.04 -0.04 6.97 6.88 2j4oA1 HIS 97 HE1 -0.00 0.31 -0.05 -0.04 7.75 7.96 2j4oA1 ALA 98 H 0.12 -0.02 -0.11 -0.55 8.40 7.85 2j4oA1 ALA 98 HA 0.13 0.01 0.35 -0.75 4.34 4.08 2j4oA1 ALA 98 HB3 0.07 0.12 0.13 -0.04 1.41 1.69 2j4oA1 GLU 99 H 0.19 0.20 0.10 -0.55 8.60 8.55 2j4oA1 GLU 99 HA 0.22 0.03 0.33 -0.75 4.29 4.12 2j4oA1 GLU 99 HB2 0.19 0.06 0.15 -0.04 2.09 2.45 2j4oA1 GLU 99 HB3 0.10 -0.08 0.12 -0.04 1.99 2.10 2j4oA1 GLU 99 HG2 0.10 -0.03 -0.21 -0.04 2.34 2.16 2j4oA1 GLU 99 HG3 0.25 0.06 0.01 -0.04 2.34 2.61 2j4oA1 ALA 100 H 0.05 0.13 -0.04 -0.55 8.40 7.99 2j4oA1 ALA 100 HA 0.02 0.03 0.38 -0.75 4.34 4.01 2j4oA1 ALA 100 HB3 0.02 0.03 0.09 -0.04 1.41 1.50 2j4oA1 ASP 101 H 0.01 0.53 -0.15 -0.55 8.40 8.24 2j4oA1 ASP 101 HA -0.08 0.04 0.50 -0.75 4.63 4.34 2j4oA1 ASP 101 HB2 0.02 -0.05 -0.02 -0.04 2.71 2.62 2j4oA1 ASP 101 HB3 -0.33 -0.02 0.01 -0.04 2.70 2.32 2j4oA1 VAL 102 H -0.05 0.25 -0.24 -0.55 8.24 7.65 2j4oA1 VAL 102 HA -0.07 0.05 0.36 -0.75 4.13 3.71 2j4oA1 VAL 102 HB -0.49 0.08 -0.03 -0.04 2.12 1.63 2j4oA1 VAL 102 HG13 -0.67 0.00 -0.15 -0.04 0.97 0.11 2j4oA1 VAL 102 HG23 -0.09 -0.01 -0.09 -0.04 0.95 0.72 2j4oA1 ARG 103 H -0.07 0.76 -0.23 -0.55 8.46 8.37 2j4oA1 ARG 103 HA -0.02 -0.03 0.32 -0.75 4.34 3.86 2j4oA1 ARG 103 HB2 -0.00 0.15 0.06 -0.04 1.90 2.07 2j4oA1 ARG 103 HB3 -0.00 -0.04 -0.03 -0.04 1.80 1.69 2j4oA1 ARG 103 HG2 0.06 -0.04 -0.11 -0.04 1.67 1.54 2j4oA1 ARG 103 HG3 0.04 0.13 -0.11 -0.04 1.67 1.69 2j4oA1 ARG 103 HD2 0.06 -0.11 -0.25 -0.04 3.22 2.88 2j4oA1 ARG 103 HD3 0.02 0.00 -0.07 -0.04 3.22 3.14 2j4oA1 ARG 104 H -0.03 0.46 -0.17 -0.55 8.46 8.17 2j4oA1 ARG 104 HA -0.01 -0.02 0.39 -0.75 4.34 3.94 2j4oA1 ARG 104 HB2 -0.03 0.08 0.23 -0.04 1.90 2.13 2j4oA1 ARG 104 HB3 -0.06 0.18 0.30 -0.04 1.80 2.18 2j4oA1 ARG 104 HG2 -0.02 -0.03 -0.19 -0.04 1.67 1.39 2j4oA1 ARG 104 HG3 -0.02 -0.04 0.04 -0.04 1.67 1.61 2j4oA1 ARG 104 HD2 -0.03 -0.02 -0.01 -0.04 3.22 3.12 2j4oA1 ARG 104 HD3 -0.04 -0.01 0.02 -0.04 3.22 3.15 2j4oA1 VAL 105 H -0.04 0.70 0.00 -0.55 8.24 8.35 2j4oA1 VAL 105 HA 0.01 -0.01 0.40 -0.75 4.13 3.77 2j4oA1 VAL 105 HB -0.01 0.04 0.12 -0.04 2.12 2.23 2j4oA1 VAL 105 HG13 0.04 -0.00 -0.18 -0.04 0.97 0.79 2j4oA1 VAL 105 HG23 -0.06 0.05 0.06 -0.04 0.95 0.96 2j4oA1 LEU 106 H 0.02 0.58 -0.25 -0.55 8.37 8.18 2j4oA1 LEU 106 HA 0.18 0.02 0.47 -0.75 4.35 4.27 2j4oA1 LEU 106 HB2 0.04 0.14 0.13 -0.04 1.64 1.92 2j4oA1 LEU 106 HB3 0.13 -0.08 -0.09 -0.04 1.64 1.55 2j4oA1 LEU 106 HG 0.04 0.09 -0.04 -0.04 1.64 1.68 2j4oA1 LEU 106 HD13 0.05 -0.03 -0.21 -0.04 0.93 0.70 2j4oA1 LEU 106 HD23 0.22 -0.02 -0.11 -0.04 0.89 0.93 2j4oA1 LEU 107 H 0.05 0.77 0.00 -0.55 8.37 8.64 2j4oA1 LEU 107 HA 0.06 -0.01 0.44 -0.75 4.35 4.09 2j4oA1 LEU 107 HB2 0.01 0.13 0.15 -0.04 1.64 1.88 2j4oA1 LEU 107 HB3 0.03 0.09 0.12 -0.04 1.64 1.84 2j4oA1 LEU 107 HG 0.02 -0.06 0.04 -0.04 1.64 1.60 2j4oA1 LEU 107 HD13 -0.04 -0.02 0.05 -0.04 0.93 0.88 2j4oA1 LEU 107 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.83 2j4oA1 GLN 108 H 0.06 0.57 -0.17 -0.55 8.47 8.39 2j4oA1 GLN 108 HA 0.06 0.01 0.51 -0.75 4.36 4.19 2j4oA1 GLN 108 HB2 0.04 0.11 0.11 -0.04 2.15 2.37 2j4oA1 GLN 108 HB3 0.03 -0.06 0.02 -0.04 2.02 1.97 2j4oA1 GLN 108 HG2 0.02 -0.07 -0.01 -0.04 2.40 2.31 2j4oA1 GLN 108 HG3 0.02 0.36 -0.01 -0.04 2.39 2.72 2j4oA1 GLN 108 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.87 2j4oA1 GLN 108 HE22 0.00 -0.01 -0.03 -0.04 7.69 7.60 2j4oA1 ALA 109 H 0.11 0.64 -0.08 -0.55 8.40 8.53 2j4oA1 ALA 109 HA 0.05 0.01 0.41 -0.75 4.34 4.05 2j4oA1 ALA 109 HB3 0.07 0.05 0.08 -0.04 1.41 1.56 2j4oA1 PHE 110 H 0.37 0.53 -0.31 -0.55 8.34 8.38 2j4oA1 PHE 110 HA 0.09 0.01 0.40 -0.75 4.62 4.37 2j4oA1 PHE 110 HB2 0.06 0.12 0.13 -0.04 3.15 3.42 2j4oA1 PHE 110 HB3 0.06 0.05 -0.00 -0.04 3.06 3.13 2j4oA1 PHE 110 HD2 0.09 0.24 -0.02 -0.04 7.28 7.55 2j4oA1 PHE 110 HE2 0.13 -0.04 -0.15 -0.04 7.38 7.28 2j4oA1 PHE 110 HZ 0.16 -0.04 -0.22 -0.04 7.32 7.17 2j4oA1 ASP 111 H 0.17 0.42 -0.25 -0.55 8.40 8.19 2j4oA1 ASP 111 HA 0.12 -0.01 0.41 -0.75 4.63 4.39 2j4oA1 ASP 111 HB2 0.08 0.09 0.16 -0.04 2.71 3.00 2j4oA1 ASP 111 HB3 0.08 0.11 0.22 -0.04 2.70 3.06 2j4oA1 VAL 112 H 0.08 0.65 -0.11 -0.55 8.24 8.31 2j4oA1 VAL 112 HA 0.07 -0.02 0.38 -0.75 4.13 3.81 2j4oA1 VAL 112 HB 0.05 0.13 0.09 -0.04 2.12 2.34 2j4oA1 VAL 112 HG13 0.04 -0.02 -0.10 -0.04 0.97 0.85 2j4oA1 VAL 112 HG23 0.04 0.04 0.02 -0.04 0.95 1.01 2j4oA1 VAL 113 H 0.07 0.51 -0.29 -0.55 8.24 7.97 2j4oA1 VAL 113 HA 0.20 0.01 0.31 -0.75 4.13 3.90 2j4oA1 VAL 113 HB 0.01 0.13 0.11 -0.04 2.12 2.32 2j4oA1 VAL 113 HG13 0.13 -0.03 -0.19 -0.04 0.97 0.84 2j4oA1 VAL 113 HG23 -0.07 0.05 -0.09 -0.04 0.95 0.79 2j4oA1 GLU 114 H 0.13 0.59 -0.18 -0.55 8.60 8.59 2j4oA1 GLU 114 HA 0.14 -0.04 0.40 -0.75 4.29 4.04 2j4oA1 GLU 114 HB2 0.12 0.03 0.13 -0.04 2.09 2.33 2j4oA1 GLU 114 HB3 0.11 0.13 0.19 -0.04 1.99 2.38 2j4oA1 GLU 114 HG2 0.07 -0.01 0.01 -0.04 2.34 2.37 2j4oA1 GLU 114 HG3 0.09 -0.00 -0.25 -0.04 2.34 2.14 2j4oA1 ARG 115 H 0.10 0.74 0.02 -0.55 8.46 8.77 2j4oA1 ARG 115 HA 0.07 0.00 0.42 -0.75 4.34 4.08 2j4oA1 ARG 115 HB2 0.07 0.09 0.16 -0.04 1.90 2.19 2j4oA1 ARG 115 HB3 0.06 -0.04 -0.01 -0.04 1.80 1.76 2j4oA1 ARG 115 HG2 0.06 -0.04 0.04 -0.04 1.67 1.69 2j4oA1 ARG 115 HG3 0.07 0.02 0.08 -0.04 1.67 1.80 2j4oA1 ARG 115 HD2 0.05 0.02 -0.08 -0.04 3.22 3.17 2j4oA1 ARG 115 HD3 0.04 -0.02 -0.02 -0.04 3.22 3.18 2j4oA1 SER 116 H 0.14 0.73 -0.08 -0.55 8.46 8.71 2j4oA1 SER 116 HA 0.08 -0.01 0.40 -0.75 4.49 4.20 2j4oA1 SER 116 HB2 0.20 -0.07 0.06 -0.04 3.95 4.11 2j4oA1 SER 116 HB3 0.12 -0.03 0.10 -0.04 3.93 4.08 2j4oA1 PHE 117 H 0.18 0.39 -0.52 -0.55 8.34 7.83 2j4oA1 PHE 117 HA -0.81 0.05 0.45 -0.75 4.62 3.55 2j4oA1 PHE 117 HB2 -0.63 0.03 0.07 -0.04 3.15 2.57 2j4oA1 PHE 117 HB3 -0.20 0.12 0.19 -0.04 3.06 3.12 2j4oA1 PHE 117 HD2 -0.83 0.00 -0.06 -0.04 7.28 6.35 2j4oA1 PHE 117 HE2 -0.19 -0.03 -0.07 -0.04 7.38 7.05 2j4oA1 PHE 117 HZ -0.11 0.21 -0.06 -0.04 7.32 7.32 2j4oA1 LEU 118 H -0.02 0.57 -0.00 -0.55 8.37 8.36 2j4oA1 LEU 118 HA -0.36 -0.00 0.41 -0.75 4.35 3.64 2j4oA1 LEU 118 HB2 0.03 0.10 0.16 -0.04 1.64 1.89 2j4oA1 LEU 118 HB3 0.10 -0.04 0.02 -0.04 1.64 1.67 2j4oA1 LEU 118 HG 0.09 0.19 0.09 -0.04 1.64 1.97 2j4oA1 LEU 118 HD13 0.02 -0.01 -0.04 -0.04 0.93 0.87 2j4oA1 LEU 118 HD23 -0.11 -0.01 -0.09 -0.04 0.89 0.64 2j4oA1 GLU 119 H -0.06 0.67 -0.12 -0.55 8.60 8.54 2j4oA1 GLU 119 HA -0.04 -0.02 0.41 -0.75 4.29 3.89 2j4oA1 GLU 119 HB2 0.00 0.10 0.11 -0.04 2.09 2.26 2j4oA1 GLU 119 HB3 -0.01 0.10 0.09 -0.04 1.99 2.14 2j4oA1 GLU 119 HG2 -0.01 -0.04 0.06 -0.04 2.34 2.31 2j4oA1 GLU 119 HG3 0.01 -0.01 -0.01 -0.04 2.34 2.29 2j4oA1 SER 120 H -0.21 0.45 -0.40 -0.55 8.46 7.76 2j4oA1 SER 120 HA -0.07 -0.02 0.34 -0.75 4.49 4.00 2j4oA1 SER 120 HB2 0.00 -0.10 0.14 -0.04 3.95 3.95 2j4oA1 SER 120 HB3 -0.04 0.19 0.21 -0.04 3.93 4.25 2j4oA1 ILE 121 H -0.31 0.41 -0.43 -0.55 8.25 7.37 2j4oA1 ILE 121 HA -0.16 0.15 0.95 -0.75 4.18 4.37 2j4oA1 ILE 121 HB -0.19 -0.12 0.15 -0.04 1.89 1.69 2j4oA1 ILE 121 HG12 -0.62 0.17 0.11 -0.04 1.49 1.10 2j4oA1 ILE 121 HG13 -0.16 0.09 -0.09 -0.04 1.21 1.01 2j4oA1 ILE 121 HG23 -0.38 0.06 -0.04 -0.04 0.93 0.52 2j4oA1 ILE 121 HD13 -0.10 -0.02 0.02 -0.04 0.88 0.74 2j4oA1 ASP 122 H -0.11 0.46 -0.09 -0.55 8.40 8.12 2j4oA1 ASP 122 HA -0.06 0.04 0.41 -0.75 4.63 4.27 2j4oA1 ASP 122 HB2 -0.05 0.25 0.24 -0.04 2.71 3.10 2j4oA1 ASP 122 HB3 -0.05 -0.04 -0.03 -0.04 2.70 2.54 2j4oA1 ASP 123 H -0.06 0.23 -0.15 -0.55 8.40 7.88 2j4oA1 ASP 123 HA -0.05 0.07 0.45 -0.75 4.63 4.34 2j4oA1 ASP 123 HB2 -0.04 0.04 0.07 -0.04 2.71 2.73 2j4oA1 ASP 123 HB3 -0.04 0.01 -0.04 -0.04 2.70 2.59 2j4oA1 ALA 124 H -0.07 0.19 -0.19 -0.55 8.40 7.78 2j4oA1 ALA 124 HA -0.05 0.03 0.40 -0.75 4.34 3.96 2j4oA1 ALA 124 HB3 -0.08 0.05 0.09 -0.04 1.41 1.44 2j4oA1 LEU 125 H -0.10 0.54 -0.30 -0.55 8.37 7.97 2j4oA1 LEU 125 HA -0.14 0.01 0.39 -0.75 4.35 3.85 2j4oA1 LEU 125 HB2 -0.09 0.21 0.20 -0.04 1.64 1.92 2j4oA1 LEU 125 HB3 -0.10 -0.05 -0.04 -0.04 1.64 1.41 2j4oA1 LEU 125 HG -0.17 0.07 0.02 -0.04 1.64 1.52 2j4oA1 LEU 125 HD13 0.07 -0.02 -0.09 -0.04 0.93 0.85 2j4oA1 LEU 125 HD23 -0.29 -0.03 -0.01 -0.04 0.89 0.52 2j4oA1 ALA 126 H -0.07 0.49 -0.09 -0.55 8.40 8.18 2j4oA1 ALA 126 HA -0.06 0.02 0.47 -0.75 4.34 4.02 2j4oA1 ALA 126 HB3 -0.05 0.03 0.12 -0.04 1.41 1.48 2j4oA1 GLU 127 H -0.05 0.60 -0.09 -0.55 8.60 8.52 2j4oA1 GLU 127 HA -0.03 0.02 0.41 -0.75 4.29 3.94 2j4oA1 GLU 127 HB2 -0.03 0.01 0.09 -0.04 2.09 2.11 2j4oA1 GLU 127 HB3 -0.04 0.11 0.12 -0.04 1.99 2.14 2j4oA1 GLU 127 HG2 -0.02 -0.01 -0.15 -0.04 2.34 2.12 2j4oA1 GLU 127 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.29 2j4oA1 LYS 128 H -0.06 0.51 -0.30 -0.55 8.42 8.03 2j4oA1 LYS 128 HA -0.03 0.01 0.44 -0.75 4.32 3.98 2j4oA1 LYS 128 HB2 -0.08 0.03 0.10 -0.04 1.87 1.88 2j4oA1 LYS 128 HB3 -0.08 0.21 0.20 -0.04 1.79 2.08 2j4oA1 LYS 128 HG2 -0.03 -0.02 -0.24 -0.04 1.46 1.13 2j4oA1 LYS 128 HG3 -0.03 -0.04 0.03 -0.04 1.46 1.38 2j4oA1 LYS 128 HD2 -0.11 -0.01 -0.05 -0.04 1.69 1.48 2j4oA1 LYS 128 HD3 -0.11 0.01 -0.03 -0.04 1.68 1.52 2j4oA1 LYS 128 HE2 0.01 0.00 -0.05 -0.04 2.99 2.91 2j4oA1 LYS 128 HE3 0.01 0.00 -0.02 -0.04 2.99 2.93 2j4oA1 ALA 129 H -0.05 0.54 -0.08 -0.55 8.40 8.27 2j4oA1 ALA 129 HA -0.02 0.00 0.38 -0.75 4.34 3.94 2j4oA1 ALA 129 HB3 -0.04 0.03 0.12 -0.04 1.41 1.49 2j4oA1 SER 130 H -0.03 0.55 -0.21 -0.55 8.46 8.23 2j4oA1 SER 130 HA -0.01 0.01 0.36 -0.75 4.49 4.09 2j4oA1 SER 130 HB2 -0.02 -0.04 0.09 -0.04 3.95 3.94 2j4oA1 SER 130 HB3 -0.02 0.10 0.17 -0.04 3.93 4.14 2j4oA1 LEU 131 H -0.01 0.45 -0.28 -0.55 8.37 7.99 2j4oA1 LEU 131 HA 0.01 0.04 0.53 -0.75 4.35 4.18 2j4oA1 LEU 131 HB2 -0.01 0.09 0.17 -0.04 1.64 1.85 2j4oA1 LEU 131 HB3 0.01 -0.06 -0.02 -0.04 1.64 1.52 2j4oA1 LEU 131 HG -0.01 0.15 0.04 -0.04 1.64 1.78 2j4oA1 LEU 131 HD13 -0.00 -0.02 -0.10 -0.04 0.93 0.77 2j4oA1 LEU 131 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.82 2j4oA1 GLN 132 H -0.01 0.70 0.01 -0.55 8.47 8.62 2j4oA1 GLN 132 HA -0.02 0.01 0.41 -0.75 4.36 4.00 2j4oA1 GLN 132 HB2 -0.01 0.09 0.14 -0.04 2.15 2.32 2j4oA1 GLN 132 HB3 -0.02 -0.05 0.04 -0.04 2.02 1.95 2j4oA1 GLN 132 HG2 -0.01 -0.06 0.02 -0.04 2.40 2.31 2j4oA1 GLN 132 HG3 -0.01 0.25 0.06 -0.04 2.39 2.65 2j4oA1 GLN 132 HE21 0.02 -0.04 -0.03 -0.04 6.97 6.88 2j4oA1 GLN 132 HE22 0.00 -0.00 -0.02 -0.04 7.69 7.63 2j4oA1 SER 133 H -0.01 0.47 -0.34 -0.55 8.46 8.04 2j4oA1 SER 133 HA -0.01 -0.00 0.39 -0.75 4.49 4.11 2j4oA1 SER 133 HB2 -0.01 -0.03 0.08 -0.04 3.95 3.95 2j4oA1 SER 133 HB3 -0.01 0.19 0.10 -0.04 3.93 4.17 2j4oA1 GLN 134 H 0.01 0.34 -0.51 -0.55 8.47 7.76 2j4oA1 GLN 134 HA 0.03 0.04 0.60 -0.75 4.36 4.28 2j4oA1 GLN 134 HB2 0.04 0.17 0.13 -0.04 2.15 2.45 2j4oA1 GLN 134 HB3 0.08 -0.12 0.14 -0.04 2.02 2.08 2j4oA1 GLN 134 HG2 0.03 -0.08 0.02 -0.04 2.40 2.33 2j4oA1 GLN 134 HG3 0.01 0.18 0.06 -0.04 2.39 2.60 2j4oA1 GLN 134 HE21 0.01 -0.10 -0.06 -0.04 6.97 6.77 2j4oA1 GLN 134 HE22 0.01 0.24 -0.11 -0.04 7.69 7.79 2j4oA1 LEU 135 H -0.02 0.48 -0.44 -0.55 8.37 7.84 2j4oA1 LEU 135 HA -0.19 0.15 0.93 -0.75 4.35 4.48 2j4oA1 LEU 135 HB2 -0.03 0.02 -0.00 -0.04 1.64 1.59 2j4oA1 LEU 135 HB3 -0.07 0.01 0.06 -0.04 1.64 1.60 2j4oA1 LEU 135 HG -0.17 0.15 -0.04 -0.04 1.64 1.54 2j4oA1 LEU 135 HD13 -0.07 -0.02 0.00 -0.04 0.93 0.79 2j4oA1 LEU 135 HD23 -0.04 -0.03 -0.06 -0.04 0.89 0.72 2j4oA1 PRO 136 HA -0.10 0.02 0.58 -0.51 4.44 4.43 2j4oA1 PRO 136 HB2 -0.13 0.06 0.01 -0.04 2.28 2.18 2j4oA1 PRO 136 HB3 -0.12 -0.01 0.11 -0.04 2.02 1.95 2j4oA1 PRO 136 HG2 -0.38 0.03 0.15 -0.04 2.03 1.78 2j4oA1 PRO 136 HG3 -0.41 -0.02 0.10 -0.04 2.03 1.66 2j4oA1 PRO 136 HD2 -0.91 0.05 0.27 -0.04 3.68 3.04 2j4oA1 PRO 136 HD3 -0.43 0.15 0.13 -0.04 3.65 3.47 2j4oA1 GLU 137 H -0.06 0.07 0.20 -0.55 8.60 8.27 2j4oA1 GLU 137 HA -0.06 0.11 0.54 -0.75 4.29 4.12 2j4oA1 GLU 137 HB2 -0.04 0.10 0.14 -0.04 2.09 2.25 2j4oA1 GLU 137 HB3 -0.03 -0.03 0.02 -0.04 1.99 1.91 2j4oA1 GLU 137 HG2 -0.03 -0.17 0.11 -0.04 2.34 2.20 2j4oA1 GLU 137 HG3 -0.03 0.05 0.06 -0.04 2.34 2.38 2j4oA1 GLY 138 H -0.04 0.11 0.14 -0.55 8.43 8.10 2j4oA1 GLY 138 HA2 -0.03 -0.02 0.27 -0.51 4.01 3.71 2j4oA1 GLY 138 HA3 -0.03 0.03 0.42 -0.51 4.01 3.92 2j4oA1 VAL 139 H -0.06 0.16 -0.17 -0.55 8.24 7.61 2j4oA1 VAL 139 HA -0.06 0.19 1.01 -0.75 4.13 4.51 2j4oA1 VAL 139 HB -0.10 0.09 0.00 -0.04 2.12 2.07 2j4oA1 VAL 139 HG13 -0.07 0.00 -0.10 -0.04 0.97 0.76 2j4oA1 VAL 139 HG23 -0.07 0.02 -0.29 -0.04 0.95 0.57 2j4oA1 PRO 140 HA -0.17 -0.15 0.30 -0.51 4.44 3.90 2j4oA1 PRO 140 HB2 -0.26 0.39 -0.20 -0.04 2.28 2.16 2j4oA1 PRO 140 HB3 -0.69 -0.21 -0.13 -0.04 2.02 0.95 2j4oA1 PRO 140 HG2 -0.11 0.03 0.03 -0.04 2.03 1.93 2j4oA1 PRO 140 HG3 -0.14 -0.04 0.05 -0.04 2.03 1.86 2j4oA1 PRO 140 HD2 -0.08 0.13 0.20 -0.04 3.68 3.90 2j4oA1 PRO 140 HD3 -0.07 0.19 0.20 -0.04 3.65 3.92 2j4oA1 GLN 141 H -0.16 0.02 0.10 -0.55 8.47 7.88 2j4oA1 GLN 141 HA -0.03 0.07 0.43 -0.75 4.36 4.08 2j4oA1 GLN 141 HB2 0.03 -0.16 0.16 -0.04 2.15 2.14 2j4oA1 GLN 141 HB3 0.02 0.02 0.07 -0.04 2.02 2.09 2j4oA1 GLN 141 HG2 0.02 -0.01 0.06 -0.04 2.40 2.43 2j4oA1 GLN 141 HG3 0.01 0.03 0.05 -0.04 2.39 2.43 2j4oA1 GLN 141 HE21 -0.06 0.05 -0.00 -0.04 6.97 6.92 2j4oA1 GLN 141 HE22 -0.03 -0.01 0.05 -0.04 7.69 7.66 2j4oA1 HIS 142 H -0.23 -0.07 -0.10 -0.55 8.41 7.47 2j4oA1 HIS 142 HA 0.02 0.15 0.45 -0.75 4.63 4.50 2j4oA1 HIS 142 HB2 0.01 -0.11 0.14 -0.04 3.26 3.27 2j4oA1 HIS 142 HB3 0.01 0.02 0.04 -0.04 3.20 3.23 2j4oA1 HIS 142 HD2 0.01 -0.01 0.01 -0.04 6.97 6.94 2j4oA1 HIS 142 HE1 0.01 0.03 -0.06 -0.04 7.75 7.68 2j4oA1 GLN 143 H 0.32 0.08 0.04 -0.55 8.47 8.36 2j4oA1 GLN 143 HA 0.14 -0.02 0.21 -0.75 4.36 3.93 2j4oA1 GLN 143 HB2 0.04 0.01 -0.22 -0.04 2.15 1.95 2j4oA1 GLN 143 HB3 0.08 0.04 0.18 -0.04 2.02 2.28 2j4oA1 GLN 143 HG2 0.54 -0.05 -0.02 -0.04 2.40 2.83 2j4oA1 GLN 143 HG3 0.18 0.02 0.01 -0.04 2.39 2.56 2j4oA1 GLN 143 HE21 0.05 -0.01 -0.01 -0.04 6.97 6.96 2j4oA1 GLN 143 HE22 0.07 0.01 0.00 -0.04 7.69 7.73 2j4oA1 LEU 144 H 0.07 0.13 -0.48 -0.55 8.37 7.54 2j4oA1 LEU 144 HA 0.04 0.15 0.68 -0.75 4.35 4.47 2j4oA1 LEU 144 HB2 0.03 0.09 -0.08 -0.04 1.64 1.64 2j4oA1 LEU 144 HB3 0.10 -0.10 -0.04 -0.04 1.64 1.55 2j4oA1 LEU 144 HG -0.06 0.15 -0.18 -0.04 1.64 1.51 2j4oA1 LEU 144 HD13 -0.05 0.01 0.01 -0.04 0.93 0.86 2j4oA1 LEU 144 HD23 -0.20 -0.02 0.06 -0.04 0.89 0.69 2j4oA1 PRO 145 HA 0.07 0.09 0.39 -0.51 4.44 4.48 2j4oA1 PRO 145 HB2 0.10 -0.05 0.08 -0.04 2.28 2.37 2j4oA1 PRO 145 HB3 0.03 0.03 0.12 -0.04 2.02 2.17 2j4oA1 PRO 145 HG2 0.19 0.07 0.08 -0.04 2.03 2.34 2j4oA1 PRO 145 HG3 0.09 0.05 0.08 -0.04 2.03 2.22 2j4oA1 PRO 145 HD2 0.27 0.14 0.17 -0.04 3.68 4.21 2j4oA1 PRO 145 HD3 0.10 0.26 0.10 -0.04 3.65 4.06 2j4oA1 PRO 146 HA 0.04 0.10 0.49 -0.51 4.44 4.56 2j4oA1 PRO 146 HB2 0.00 0.03 0.06 -0.04 2.28 2.33 2j4oA1 PRO 146 HB3 0.02 0.05 0.16 -0.04 2.02 2.20 2j4oA1 PRO 146 HG2 -0.01 0.02 0.05 -0.04 2.03 2.05 2j4oA1 PRO 146 HG3 0.01 0.06 0.08 -0.04 2.03 2.14 2j4oA1 PRO 146 HD2 0.02 0.08 0.24 -0.04 3.68 3.99 2j4oA1 PRO 146 HD3 0.03 0.15 0.17 -0.04 3.65 3.96 2j4oA1 GLN 147 H -0.06 0.04 -0.68 -0.55 8.47 7.23 2j4oA1 GLN 147 HA -0.10 0.07 0.43 -0.75 4.36 4.01 2j4oA1 GLN 147 HB2 -0.34 0.01 0.01 -0.04 2.15 1.78 2j4oA1 GLN 147 HB3 -0.35 0.05 -0.01 -0.04 2.02 1.68 2j4oA1 GLN 147 HG2 -0.14 0.04 0.02 -0.04 2.40 2.27 2j4oA1 GLN 147 HG3 -0.11 0.02 0.03 -0.04 2.39 2.29 2j4oA1 GLN 147 HE21 -0.03 0.00 -0.02 -0.04 6.97 6.89 2j4oA1 GLN 147 HE22 -0.05 0.03 -0.02 -0.04 7.69 7.61 2j4oA1 TYR 148 H 0.01 0.67 -0.21 -0.55 8.29 8.21 2j4oA1 TYR 148 HA -0.00 0.12 0.64 -0.75 4.56 4.57 2j4oA1 TYR 148 HB2 0.00 0.18 -0.01 -0.04 3.06 3.19 2j4oA1 TYR 148 HB3 -0.00 -0.02 0.09 -0.04 2.98 3.01 2j4oA1 TYR 148 HD2 -0.00 -0.01 0.02 -0.04 7.15 7.12 2j4oA1 TYR 148 HE2 -0.00 0.07 0.06 -0.04 6.85 6.94 2j4oA1 GLN 149 H 0.05 0.32 -0.39 -0.55 8.47 7.91 2j4oA1 GLN 149 HA 0.06 0.08 0.39 -0.75 4.36 4.14 2j4oA1 GLN 149 HB2 0.03 0.22 0.19 -0.04 2.15 2.55 2j4oA1 GLN 149 HB3 0.03 -0.03 -0.03 -0.04 2.02 1.95 2j4oA1 GLN 149 HG2 0.04 -0.03 0.04 -0.04 2.40 2.41 2j4oA1 GLN 149 HG3 0.04 -0.02 0.05 -0.04 2.39 2.43 2j4oA1 GLN 149 HE21 0.07 0.15 -0.05 -0.04 6.97 7.09 2j4oA1 GLN 149 HE22 0.05 -0.08 0.01 -0.04 7.69 7.63 2j4oA1 LYS 150 H 0.01 0.27 -0.18 -0.55 8.42 7.97 2j4oA1 LYS 150 HA 0.01 0.04 0.42 -0.75 4.32 4.04 2j4oA1 LYS 150 HB2 -0.00 0.09 0.09 -0.04 1.87 2.01 2j4oA1 LYS 150 HB3 0.00 0.02 -0.01 -0.04 1.79 1.76 2j4oA1 LYS 150 HG2 0.00 -0.02 0.05 -0.04 1.46 1.45 2j4oA1 LYS 150 HG3 -0.00 0.01 0.04 -0.04 1.46 1.47 2j4oA1 LYS 150 HD2 -0.01 0.03 0.02 -0.04 1.69 1.69 2j4oA1 LYS 150 HD3 -0.00 -0.00 0.01 -0.04 1.68 1.65 2j4oA1 LYS 150 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 2j4oA1 LYS 150 HE3 -0.00 0.00 0.01 -0.04 2.99 2.96 2j4oA1 ILE 151 H 0.05 0.22 -0.41 -0.55 8.25 7.57 2j4oA1 ILE 151 HA 0.03 0.04 0.45 -0.75 4.18 3.94 2j4oA1 ILE 151 HB 0.12 0.20 0.17 -0.04 1.89 2.34 2j4oA1 ILE 151 HG12 0.05 -0.01 0.02 -0.04 1.49 1.50 2j4oA1 ILE 151 HG13 0.05 -0.10 0.00 -0.04 1.21 1.12 2j4oA1 ILE 151 HG23 0.05 0.01 -0.20 -0.04 0.93 0.74 2j4oA1 ILE 151 HD13 0.15 0.02 0.00 -0.04 0.88 1.01 2j4oA1 LEU 152 H 0.06 0.53 0.04 -0.55 8.37 8.45 2j4oA1 LEU 152 HA 0.02 0.03 0.36 -0.75 4.35 4.00 2j4oA1 LEU 152 HB2 0.04 0.06 0.19 -0.04 1.64 1.88 2j4oA1 LEU 152 HB3 0.03 -0.05 -0.04 -0.04 1.64 1.54 2j4oA1 LEU 152 HG 0.03 0.08 0.03 -0.04 1.64 1.74 2j4oA1 LEU 152 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 2j4oA1 LEU 152 HD23 0.04 0.02 -0.02 -0.04 0.89 0.88 2j4oA1 GLU 153 H 0.02 0.60 -0.23 -0.55 8.60 8.44 2j4oA1 GLU 153 HA 0.01 0.00 0.44 -0.75 4.29 3.99 2j4oA1 GLU 153 HB2 0.01 0.13 0.16 -0.04 2.09 2.35 2j4oA1 GLU 153 HB3 0.01 -0.05 -0.00 -0.04 1.99 1.90 2j4oA1 GLU 153 HG2 0.02 -0.05 0.04 -0.04 2.34 2.30 2j4oA1 GLU 153 HG3 0.02 0.19 0.06 -0.04 2.34 2.57 2j4oA1 ARG 154 H 0.01 0.54 -0.08 -0.55 8.46 8.38 2j4oA1 ARG 154 HA 0.00 -0.04 0.42 -0.75 4.34 3.97 2j4oA1 ARG 154 HB2 0.01 0.03 0.18 -0.04 1.90 2.07 2j4oA1 ARG 154 HB3 0.01 0.17 0.18 -0.04 1.80 2.12 2j4oA1 ARG 154 HG2 -0.00 -0.00 0.01 -0.04 1.67 1.64 2j4oA1 ARG 154 HG3 -0.00 -0.00 -0.12 -0.04 1.67 1.50 2j4oA1 ARG 154 HD2 -0.00 -0.08 0.16 -0.04 3.22 3.26 2j4oA1 ARG 154 HD3 -0.00 0.00 0.05 -0.04 3.22 3.23 2j4oA1 LEU 155 H 0.01 0.51 -0.40 -0.55 8.37 7.94 2j4oA1 LEU 155 HA -0.01 0.00 0.46 -0.75 4.35 4.05 2j4oA1 LEU 155 HB2 0.01 0.15 0.15 -0.04 1.64 1.91 2j4oA1 LEU 155 HB3 0.00 -0.06 -0.04 -0.04 1.64 1.50 2j4oA1 LEU 155 HG 0.00 0.02 -0.07 -0.04 1.64 1.55 2j4oA1 LEU 155 HD13 0.00 -0.01 -0.14 -0.04 0.93 0.75 2j4oA1 LEU 155 HD23 -0.01 -0.01 0.04 -0.04 0.89 0.87 2j4oA1 LYS 156 H 0.01 0.57 -0.02 -0.55 8.42 8.42 2j4oA1 LYS 156 HA 0.01 -0.01 0.51 -0.75 4.32 4.08 2j4oA1 LYS 156 HB2 0.01 -0.04 0.12 -0.04 1.87 1.93 2j4oA1 LYS 156 HB3 0.01 0.17 0.31 -0.04 1.79 2.24 2j4oA1 LYS 156 HG2 0.01 0.03 -0.36 -0.04 1.46 1.10 2j4oA1 LYS 156 HG3 0.01 -0.07 -0.04 -0.04 1.46 1.32 2j4oA1 LYS 156 HD2 0.01 -0.03 0.00 -0.04 1.69 1.63 2j4oA1 LYS 156 HD3 0.01 0.01 0.05 -0.04 1.68 1.71 2j4oA1 LYS 156 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 2j4oA1 LYS 156 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 2j4oA1 THR 157 H 0.00 0.64 -0.05 -0.55 8.28 8.33 2j4oA1 THR 157 HA 0.00 0.00 0.40 -0.75 4.39 4.04 2j4oA1 THR 157 HB -0.00 0.16 0.15 -0.04 4.32 4.58 2j4oA1 THR 157 HG23 -0.00 -0.02 -0.06 -0.04 1.22 1.09 2j4oA1 LEU 158 H -0.01 0.46 -0.25 -0.55 8.37 8.02 2j4oA1 LEU 158 HA -0.02 0.02 0.49 -0.75 4.35 4.08 2j4oA1 LEU 158 HB2 -0.03 0.12 0.14 -0.04 1.64 1.83 2j4oA1 LEU 158 HB3 -0.05 -0.06 0.03 -0.04 1.64 1.52 2j4oA1 LEU 158 HG -0.02 0.25 0.11 -0.04 1.64 1.93 2j4oA1 LEU 158 HD13 -0.03 0.01 -0.08 -0.04 0.93 0.79 2j4oA1 LEU 158 HD23 -0.03 -0.04 0.02 -0.04 0.89 0.80 2j4oA1 GLU 159 H -0.01 0.50 -0.20 -0.55 8.60 8.35 2j4oA1 GLU 159 HA -0.01 -0.01 0.41 -0.75 4.29 3.92 2j4oA1 GLU 159 HB2 0.01 0.19 0.19 -0.04 2.09 2.45 2j4oA1 GLU 159 HB3 0.02 0.08 0.16 -0.04 1.99 2.21 2j4oA1 GLU 159 HG2 0.05 -0.00 0.02 -0.04 2.34 2.37 2j4oA1 GLU 159 HG3 0.07 -0.06 -0.02 -0.04 2.34 2.29 2j4oA1 ARG 160 H 0.01 0.46 -0.22 -0.55 8.46 8.15 2j4oA1 ARG 160 HA 0.02 0.00 0.46 -0.75 4.34 4.07 2j4oA1 ARG 160 HB2 0.01 0.17 0.14 -0.04 1.90 2.18 2j4oA1 ARG 160 HB3 0.01 -0.07 0.04 -0.04 1.80 1.74 2j4oA1 ARG 160 HG2 0.01 -0.07 0.03 -0.04 1.67 1.60 2j4oA1 ARG 160 HG3 0.01 0.14 0.07 -0.04 1.67 1.85 2j4oA1 ARG 160 HD2 0.01 -0.05 0.01 -0.04 3.22 3.15 2j4oA1 ARG 160 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 2j4oA1 GLU 161 H -0.00 0.27 -0.28 -0.55 8.60 8.04 2j4oA1 GLU 161 HA 0.02 0.01 0.45 -0.75 4.29 4.02 2j4oA1 GLU 161 HB2 -0.02 0.08 0.22 -0.04 2.09 2.33 2j4oA1 GLU 161 HB3 -0.02 -0.04 0.00 -0.04 1.99 1.89 2j4oA1 GLU 161 HG2 0.00 -0.05 0.06 -0.04 2.34 2.31 2j4oA1 GLU 161 HG3 -0.00 0.12 0.09 -0.04 2.34 2.50 2j4oA1 ILE 162 H -0.02 0.48 -0.08 -0.55 8.25 8.08 2j4oA1 ILE 162 HA -0.02 0.13 0.75 -0.75 4.18 4.29 2j4oA1 ILE 162 HB -0.25 -0.12 0.07 -0.04 1.89 1.55 2j4oA1 ILE 162 HG12 -0.09 0.23 0.18 -0.04 1.49 1.77 2j4oA1 ILE 162 HG13 -0.05 0.00 -0.20 -0.04 1.21 0.91 2j4oA1 ILE 162 HG23 -0.15 0.03 -0.01 -0.04 0.93 0.75 2j4oA1 ILE 162 HD13 -0.65 -0.04 -0.07 -0.04 0.88 0.08 2j4oA1 SER 163 H 0.07 0.43 -0.08 -0.55 8.46 8.33 2j4oA1 SER 163 HA 0.26 -0.12 0.57 -0.75 4.49 4.44 2j4oA1 SER 163 HB2 0.05 0.06 0.17 -0.04 3.95 4.19 2j4oA1 SER 163 HB3 0.04 -0.06 0.12 -0.04 3.93 3.99 2j4oA1 GLY 164 H -0.05 -0.05 0.25 -0.55 8.43 8.03 2j4oA1 GLY 164 HA2 -0.27 0.29 0.56 -0.51 4.01 4.08 2j4oA1 GLY 164 HA3 -0.15 0.05 0.92 -0.51 4.01 4.32 2j4oA1 GLY 165 H -0.60 0.54 0.42 -0.55 8.43 8.24 2j4oA1 GLY 165 HA2 -0.32 0.23 0.71 -0.51 4.01 4.12 2j4oA1 GLY 165 HA3 -0.62 0.02 0.30 -0.51 4.01 3.19 2j4oA1 ALA 166 H -0.01 0.55 0.27 -0.55 8.40 8.67 2j4oA1 ALA 166 HA 0.12 0.20 0.68 -0.75 4.34 4.59 2j4oA1 ALA 166 HB3 0.01 -0.01 -0.21 -0.04 1.41 1.17 2j4oA1 MET 167 H 0.18 0.59 0.43 -0.55 8.47 9.13 2j4oA1 MET 167 HA 0.17 0.26 1.01 -0.75 4.52 5.21 2j4oA1 MET 167 HB2 0.13 -0.05 0.31 -0.04 2.15 2.50 2j4oA1 MET 167 HB3 0.13 -0.08 0.29 -0.04 2.03 2.33 2j4oA1 MET 167 HG2 0.09 -0.29 0.24 -0.04 2.63 2.63 2j4oA1 MET 167 HG3 0.13 0.32 0.28 -0.04 2.56 3.24 2j4oA1 MET 167 HE3 0.04 0.01 -0.01 -0.04 2.10 2.10 2j4oA1 ALA 168 H 0.21 0.75 0.42 -0.55 8.40 9.24 2j4oA1 ALA 168 HA 0.11 0.22 1.02 -0.75 4.34 4.94 2j4oA1 ALA 168 HB3 0.49 0.02 -0.19 -0.04 1.41 1.68 2j4oA1 VAL 169 H -0.10 0.56 0.30 -0.55 8.24 8.44 2j4oA1 VAL 169 HA 0.11 0.24 0.90 -0.75 4.13 4.62 2j4oA1 VAL 169 HB 0.04 -0.04 -0.21 -0.04 2.12 1.86 2j4oA1 VAL 169 HG13 -0.02 0.03 -0.01 -0.04 0.97 0.93 2j4oA1 VAL 169 HG23 0.05 -0.00 -0.26 -0.04 0.95 0.70 2j4oA1 VAL 170 H 0.17 0.85 0.37 -0.55 8.24 9.08 2j4oA1 VAL 170 HA 0.12 0.24 1.16 -0.75 4.13 4.90 2j4oA1 VAL 170 HB 0.40 -0.03 0.04 -0.04 2.12 2.49 2j4oA1 VAL 170 HG13 0.25 0.02 -0.17 -0.04 0.97 1.03 2j4oA1 VAL 170 HG23 0.30 -0.03 -0.26 -0.04 0.95 0.92 2j4oA1 ALA 171 H 0.22 0.79 0.40 -0.55 8.40 9.27 2j4oA1 ALA 171 HA 0.22 0.39 1.22 -0.75 4.34 5.41 2j4oA1 ALA 171 HB3 0.22 -0.03 -0.09 -0.04 1.41 1.47 2j4oA1 VAL 172 H 0.29 0.58 0.39 -0.55 8.24 8.95 2j4oA1 VAL 172 HA 0.23 0.43 1.22 -0.75 4.13 5.26 2j4oA1 VAL 172 HB 0.18 0.02 0.00 -0.04 2.12 2.28 2j4oA1 VAL 172 HG13 0.16 -0.01 -0.17 -0.04 0.97 0.91 2j4oA1 VAL 172 HG23 0.25 -0.01 -0.04 -0.04 0.95 1.10 2j4oA1 LEU 173 H 0.31 0.63 0.32 -0.55 8.37 9.08 2j4oA1 LEU 173 HA 0.28 0.35 0.98 -0.75 4.35 5.20 2j4oA1 LEU 173 HB2 0.46 0.00 -0.03 -0.04 1.64 2.03 2j4oA1 LEU 173 HB3 0.57 -0.09 0.15 -0.04 1.64 2.24 2j4oA1 LEU 173 HG 0.22 -0.05 -0.19 -0.04 1.64 1.58 2j4oA1 LEU 173 HD13 0.23 0.03 -0.20 -0.04 0.93 0.95 2j4oA1 LEU 173 HD23 0.17 0.01 -0.12 -0.04 0.89 0.91 2j4oA1 LEU 174 H 0.33 0.71 0.21 -0.55 8.37 9.06 2j4oA1 LEU 174 HA 0.17 0.15 0.95 -0.75 4.35 4.87 2j4oA1 LEU 174 HB2 0.36 0.02 0.04 -0.04 1.64 2.03 2j4oA1 LEU 174 HB3 0.23 -0.02 0.01 -0.04 1.64 1.82 2j4oA1 LEU 174 HG 0.08 0.04 -0.11 -0.04 1.64 1.60 2j4oA1 LEU 174 HD13 0.02 -0.04 -0.10 -0.04 0.93 0.77 2j4oA1 LEU 174 HD23 0.05 0.00 -0.00 -0.04 0.89 0.89 2j4oA1 ASN 175 H 0.14 0.39 0.24 -0.55 8.53 8.76 2j4oA1 ASN 175 HA 0.13 0.07 0.43 -0.75 4.76 4.63 2j4oA1 ASN 175 HB2 0.08 -0.12 0.00 -0.04 2.88 2.81 2j4oA1 ASN 175 HB3 0.07 0.02 0.17 -0.04 2.79 3.01 2j4oA1 ASN 175 HD21 0.07 0.01 0.06 -0.04 7.03 7.12 2j4oA1 ASN 175 HD22 0.08 -0.03 0.04 -0.04 7.74 7.79 2j4oA1 ASN 176 H 0.14 0.13 -0.11 -0.55 8.53 8.14 2j4oA1 ASN 176 HA 0.05 0.02 0.18 -0.75 4.76 4.26 2j4oA1 ASN 176 HB2 0.04 -0.02 -0.21 -0.04 2.88 2.65 2j4oA1 ASN 176 HB3 -0.00 -0.02 0.08 -0.04 2.79 2.81 2j4oA1 ASN 176 HD21 -0.01 0.09 -0.03 -0.04 7.03 7.04 2j4oA1 ASN 176 HD22 0.05 -0.03 0.00 -0.04 7.74 7.72 2j4oA1 LYS 177 H 0.08 0.55 -0.55 -0.55 8.42 7.95 2j4oA1 LYS 177 HA -0.12 0.27 0.97 -0.75 4.32 4.69 2j4oA1 LYS 177 HB2 0.09 0.16 0.15 -0.04 1.87 2.23 2j4oA1 LYS 177 HB3 -0.33 -0.11 -0.05 -0.04 1.79 1.27 2j4oA1 LYS 177 HG2 -0.06 -0.01 -0.04 -0.04 1.46 1.31 2j4oA1 LYS 177 HG3 0.02 0.14 -0.02 -0.04 1.46 1.56 2j4oA1 LYS 177 HD2 0.13 -0.10 -0.00 -0.04 1.69 1.67 2j4oA1 LYS 177 HD3 -0.04 -0.01 -0.06 -0.04 1.68 1.53 2j4oA1 LYS 177 HE2 0.00 0.03 -0.02 -0.04 2.99 2.97 2j4oA1 LYS 177 HE3 0.04 0.03 -0.00 -0.04 2.99 3.02 2j4oA1 LEU 178 H -0.22 0.74 0.30 -0.55 8.37 8.64 2j4oA1 LEU 178 HA 0.06 0.32 1.14 -0.75 4.35 5.12 2j4oA1 LEU 178 HB2 -0.00 -0.00 -0.12 -0.04 1.64 1.48 2j4oA1 LEU 178 HB3 -0.10 0.01 0.11 -0.04 1.64 1.62 2j4oA1 LEU 178 HG 0.05 -0.03 -0.48 -0.04 1.64 1.14 2j4oA1 LEU 178 HD13 0.20 0.03 -0.16 -0.04 0.93 0.97 2j4oA1 LEU 178 HD23 0.03 -0.01 -0.15 -0.04 0.89 0.72 2j4oA1 TYR 179 H 0.30 0.74 0.42 -0.55 8.29 9.20 2j4oA1 TYR 179 HA 0.08 0.28 1.05 -0.75 4.56 5.23 2j4oA1 TYR 179 HB2 0.11 -0.07 0.02 -0.04 3.06 3.07 2j4oA1 TYR 179 HB3 0.08 0.04 -0.05 -0.04 2.98 3.01 2j4oA1 TYR 179 HD2 0.08 0.15 -0.09 -0.04 7.15 7.24 2j4oA1 TYR 179 HE2 0.06 -0.01 -0.01 -0.04 6.85 6.86 2j4oA1 VAL 180 H 0.20 0.33 0.23 -0.55 8.24 8.46 2j4oA1 VAL 180 HA 0.18 0.37 1.23 -0.75 4.13 5.16 2j4oA1 VAL 180 HB 0.16 -0.01 0.05 -0.04 2.12 2.28 2j4oA1 VAL 180 HG13 0.11 -0.01 -0.23 -0.04 0.97 0.79 2j4oA1 VAL 180 HG23 0.08 -0.01 -0.26 -0.04 0.95 0.72 2j4oA1 ALA 181 H 0.16 0.84 0.36 -0.55 8.40 9.21 2j4oA1 ALA 181 HA -0.02 0.23 0.93 -0.75 4.34 4.73 2j4oA1 ALA 181 HB3 -0.05 -0.01 -0.03 -0.04 1.41 1.28 2j4oA1 ASN 182 H -0.01 0.65 0.32 -0.55 8.53 8.95 2j4oA1 ASN 182 HA 0.10 0.24 1.28 -0.75 4.76 5.63 2j4oA1 ASN 182 HB2 0.10 -0.07 -0.13 -0.04 2.88 2.74 2j4oA1 ASN 182 HB3 0.15 -0.00 0.13 -0.04 2.79 3.03 2j4oA1 ASN 182 HD21 0.06 -0.10 -0.35 -0.04 7.03 6.60 2j4oA1 ASN 182 HD22 0.08 -0.04 0.02 -0.04 7.74 7.75 2j4oA1 VAL 183 H 0.16 0.93 0.30 -0.55 8.24 9.09 2j4oA1 VAL 183 HA 0.18 0.20 0.90 -0.75 4.13 4.66 2j4oA1 VAL 183 HB 0.26 -0.13 0.17 -0.04 2.12 2.38 2j4oA1 VAL 183 HG13 0.12 0.03 -0.35 -0.04 0.97 0.73 2j4oA1 VAL 183 HG23 0.05 0.04 -0.37 -0.04 0.95 0.63 2j4oA1 GLY 184 H 0.71 0.19 0.18 -0.55 8.43 8.97 2j4oA1 GLY 184 HA2 0.18 0.10 0.53 -0.51 4.01 4.31 2j4oA1 GLY 184 HA3 0.15 0.11 1.18 -0.51 4.01 4.94 2j4oA1 THR 185 H 0.09 0.11 0.24 -0.55 8.28 8.17 2j4oA1 THR 185 HA 0.05 0.26 1.10 -0.75 4.39 5.04 2j4oA1 THR 185 HB 0.18 0.02 0.16 -0.04 4.32 4.65 2j4oA1 THR 185 HG23 0.06 -0.02 -0.15 -0.04 1.22 1.06 2j4oA1 ASN 186 H 0.09 0.07 -0.12 -0.55 8.53 8.01 2j4oA1 ASN 186 HA 0.14 -0.01 0.61 -0.75 4.76 4.75 2j4oA1 ASN 186 HB2 0.06 -0.00 -0.13 -0.04 2.88 2.76 2j4oA1 ASN 186 HB3 0.05 0.16 0.08 -0.04 2.79 3.04 2j4oA1 ASN 186 HD21 0.07 -0.14 -0.15 -0.04 7.03 6.77 2j4oA1 ASN 186 HD22 0.00 0.37 -0.07 -0.04 7.74 8.01 2j4oA1 ARG 187 H 0.09 0.57 0.28 -0.55 8.46 8.85 2j4oA1 ARG 187 HA -0.01 0.21 0.89 -0.75 4.34 4.69 2j4oA1 ARG 187 HB2 0.01 -0.06 -0.11 -0.04 1.90 1.70 2j4oA1 ARG 187 HB3 -0.07 0.02 -0.13 -0.04 1.80 1.57 2j4oA1 ARG 187 HG2 -0.11 0.08 -0.27 -0.04 1.67 1.33 2j4oA1 ARG 187 HG3 0.03 0.06 -0.43 -0.04 1.67 1.29 2j4oA1 ARG 187 HD2 -0.51 -0.06 -0.14 -0.04 3.22 2.46 2j4oA1 ARG 187 HD3 -0.26 0.01 -0.12 -0.04 3.22 2.81 2j4oA1 ALA 188 H -0.04 0.18 0.14 -0.55 8.40 8.13 2j4oA1 ALA 188 HA -0.00 0.45 1.06 -0.75 4.34 5.08 2j4oA1 ALA 188 HB3 0.00 -0.01 -0.01 -0.04 1.41 1.35 2j4oA1 LEU 189 H -0.02 0.73 0.34 -0.55 8.37 8.88 2j4oA1 LEU 189 HA -0.07 0.22 1.04 -0.75 4.35 4.78 2j4oA1 LEU 189 HB2 -0.03 -0.04 0.02 -0.04 1.64 1.55 2j4oA1 LEU 189 HB3 -0.08 0.05 -0.15 -0.04 1.64 1.42 2j4oA1 LEU 189 HG -0.04 -0.07 -0.40 -0.04 1.64 1.09 2j4oA1 LEU 189 HD13 -0.03 0.00 -0.14 -0.04 0.93 0.72 2j4oA1 LEU 189 HD23 -0.09 0.03 -0.16 -0.04 0.89 0.63 2j4oA1 LEU 190 H -0.10 0.69 0.31 -0.55 8.37 8.73 2j4oA1 LEU 190 HA -0.09 0.15 0.91 -0.75 4.35 4.57 2j4oA1 LEU 190 HB2 -0.08 -0.02 0.10 -0.04 1.64 1.59 2j4oA1 LEU 190 HB3 -0.11 0.00 0.11 -0.04 1.64 1.60 2j4oA1 LEU 190 HG -0.05 -0.05 -0.07 -0.04 1.64 1.43 2j4oA1 LEU 190 HD13 -0.13 0.01 -0.10 -0.04 0.93 0.67 2j4oA1 LEU 190 HD23 -0.05 0.02 -0.13 -0.04 0.89 0.69 2j4oA1 CYS 191 H -0.37 0.82 0.30 -0.55 8.50 8.70 2j4oA1 CYS 191 HA -0.34 0.30 0.91 -0.75 4.58 4.70 2j4oA1 CYS 191 HB2 -1.95 -0.00 0.17 -0.04 2.97 1.15 2j4oA1 CYS 191 HB3 -0.94 0.00 -0.06 -0.04 2.97 1.93 2j4oA1 LYS 192 H -0.22 0.69 0.28 -0.55 8.42 8.61 2j4oA1 LYS 192 HA -0.19 0.23 1.03 -0.75 4.32 4.64 2j4oA1 LYS 192 HB2 -0.14 -0.03 -0.04 -0.04 1.87 1.61 2j4oA1 LYS 192 HB3 -0.11 -0.06 0.13 -0.04 1.79 1.70 2j4oA1 LYS 192 HG2 -0.08 0.09 -0.25 -0.04 1.46 1.18 2j4oA1 LYS 192 HG3 -0.10 0.00 0.04 -0.04 1.46 1.36 2j4oA1 LYS 192 HD2 -0.10 -0.01 -0.05 -0.04 1.69 1.49 2j4oA1 LYS 192 HD3 -0.08 -0.05 -0.05 -0.04 1.68 1.46 2j4oA1 LYS 192 HE2 -0.05 0.01 -0.03 -0.04 2.99 2.88 2j4oA1 LYS 192 HE3 -0.07 -0.01 0.03 -0.04 2.99 2.91 2j4oA1 SER 193 H -0.10 0.91 0.49 -0.55 8.46 9.21 2j4oA1 SER 193 HA -0.03 -0.01 0.67 -0.75 4.49 4.37 2j4oA1 SER 193 HB2 0.12 -0.08 0.02 -0.04 3.95 3.96 2j4oA1 SER 193 HB3 0.10 0.05 0.11 -0.04 3.93 4.15 2j4oA1 THR 194 H -0.01 0.54 0.24 -0.55 8.28 8.50 2j4oA1 THR 194 HA -0.02 0.22 0.84 -0.75 4.39 4.68 2j4oA1 THR 194 HB -0.02 -0.12 0.11 -0.04 4.32 4.25 2j4oA1 THR 194 HG23 -0.04 0.02 -0.16 -0.04 1.22 1.00 2j4oA1 VAL 195 H -0.01 0.33 -0.06 -0.55 8.24 7.95 2j4oA1 VAL 195 HA -0.00 0.11 0.70 -0.75 4.13 4.19 2j4oA1 VAL 195 HB -0.01 0.01 0.11 -0.04 2.12 2.19 2j4oA1 VAL 195 HG13 -0.00 0.02 -0.08 -0.04 0.97 0.87 2j4oA1 VAL 195 HG23 -0.01 -0.00 0.11 -0.04 0.95 1.01 2j4oA1 ASP 196 H -0.00 -0.07 0.13 -0.55 8.40 7.91 2j4oA1 ASP 196 HA -0.01 0.04 0.27 -0.75 4.63 4.18 2j4oA1 ASP 196 HB2 -0.02 -0.05 -0.21 -0.04 2.71 2.39 2j4oA1 ASP 196 HB3 -0.01 -0.02 0.08 -0.04 2.70 2.70 2j4oA1 GLY 197 H -0.00 -0.13 0.01 -0.55 8.43 7.77 2j4oA1 GLY 197 HA2 0.01 0.07 0.26 -0.51 4.01 3.84 2j4oA1 GLY 197 HA3 -0.00 0.25 0.88 -0.51 4.01 4.63 2j4oA1 LEU 198 H -0.00 0.17 0.12 -0.55 8.37 8.11 2j4oA1 LEU 198 HA -0.07 0.26 0.78 -0.75 4.35 4.57 2j4oA1 LEU 198 HB2 0.01 -0.02 0.01 -0.04 1.64 1.59 2j4oA1 LEU 198 HB3 -0.03 -0.02 0.06 -0.04 1.64 1.61 2j4oA1 LEU 198 HG -0.21 0.00 -0.32 -0.04 1.64 1.07 2j4oA1 LEU 198 HD13 -0.24 0.02 -0.27 -0.04 0.93 0.40 2j4oA1 LEU 198 HD23 0.02 -0.01 -0.15 -0.04 0.89 0.70 2j4oA1 GLN 199 H -0.10 0.82 0.32 -0.55 8.47 8.97 2j4oA1 GLN 199 HA -0.07 0.14 0.86 -0.75 4.36 4.54 2j4oA1 GLN 199 HB2 -0.06 0.01 0.01 -0.04 2.15 2.07 2j4oA1 GLN 199 HB3 -0.09 -0.03 0.15 -0.04 2.02 2.02 2j4oA1 GLN 199 HG2 -0.08 0.03 -0.28 -0.04 2.40 2.03 2j4oA1 GLN 199 HG3 -0.06 0.00 -0.02 -0.04 2.39 2.28 2j4oA1 GLN 199 HE21 -0.05 -0.01 -0.05 -0.04 6.97 6.83 2j4oA1 GLN 199 HE22 -0.05 0.01 -0.04 -0.04 7.69 7.56 2j4oA1 VAL 200 H -0.08 0.20 0.16 -0.55 8.24 7.97 2j4oA1 VAL 200 HA -0.14 0.33 1.03 -0.75 4.13 4.59 2j4oA1 VAL 200 HB -0.07 -0.02 0.05 -0.04 2.12 2.03 2j4oA1 VAL 200 HG13 -0.08 -0.02 -0.29 -0.04 0.97 0.54 2j4oA1 VAL 200 HG23 -0.09 0.04 -0.21 -0.04 0.95 0.65 2j4oA1 THR 201 H -0.11 0.53 0.24 -0.55 8.28 8.39 2j4oA1 THR 201 HA -0.08 0.15 0.91 -0.75 4.39 4.61 2j4oA1 THR 201 HB -0.08 0.05 -0.08 -0.04 4.32 4.17 2j4oA1 THR 201 HG23 -0.07 0.00 -0.16 -0.04 1.22 0.95 2j4oA1 GLN 202 H -0.09 0.18 0.11 -0.55 8.47 8.12 2j4oA1 GLN 202 HA -0.10 0.14 0.78 -0.75 4.36 4.43 2j4oA1 GLN 202 HB2 -0.11 -0.08 0.10 -0.04 2.15 2.01 2j4oA1 GLN 202 HB3 -0.11 0.03 0.20 -0.04 2.02 2.10 2j4oA1 GLN 202 HG2 -0.14 0.25 -0.09 -0.04 2.40 2.38 2j4oA1 GLN 202 HG3 -0.11 -0.06 0.04 -0.04 2.39 2.22 2j4oA1 GLN 202 HE21 -0.14 -0.12 -0.06 -0.04 6.97 6.60 2j4oA1 GLN 202 HE22 -0.13 0.13 -0.30 -0.04 7.69 7.35 2j4oA1 LEU 203 H -0.10 0.42 0.27 -0.55 8.37 8.42 2j4oA1 LEU 203 HA -0.15 0.10 0.43 -0.75 4.35 3.98 2j4oA1 LEU 203 HB2 -0.07 -0.06 0.01 -0.04 1.64 1.47 2j4oA1 LEU 203 HB3 -0.08 -0.02 -0.02 -0.04 1.64 1.49 2j4oA1 LEU 203 HG -0.06 -0.01 -0.08 -0.04 1.64 1.44 2j4oA1 LEU 203 HD13 -0.02 -0.00 -0.13 -0.04 0.93 0.74 2j4oA1 LEU 203 HD23 -0.08 0.00 -0.13 -0.04 0.89 0.65 2j4oA1 ASN 204 H -0.18 0.02 -0.07 -0.55 8.53 7.75 2j4oA1 ASN 204 HA -0.99 0.21 0.75 -0.75 4.76 3.98 2j4oA1 ASN 204 HB2 -0.03 0.04 0.06 -0.04 2.88 2.90 2j4oA1 ASN 204 HB3 -0.06 -0.04 -0.10 -0.04 2.79 2.56 2j4oA1 ASN 204 HD21 -0.06 0.20 -0.15 -0.04 7.03 6.98 2j4oA1 ASN 204 HD22 -0.10 0.14 -0.20 -0.04 7.74 7.54 2j4oA1 VAL 205 H -0.10 0.23 0.14 -0.55 8.24 7.96 2j4oA1 VAL 205 HA -0.12 0.15 0.85 -0.75 4.13 4.26 2j4oA1 VAL 205 HB -0.02 -0.02 0.03 -0.04 2.12 2.08 2j4oA1 VAL 205 HG13 -0.03 0.03 -0.07 -0.04 0.97 0.85 2j4oA1 VAL 205 HG23 -0.03 0.01 -0.15 -0.04 0.95 0.74 2j4oA1 ASP 206 H -0.10 0.11 0.11 -0.55 8.40 7.97 2j4oA1 ASP 206 HA -0.12 0.22 0.56 -0.75 4.63 4.53 2j4oA1 ASP 206 HB2 -0.03 -0.05 0.06 -0.04 2.71 2.64 2j4oA1 ASP 206 HB3 0.01 0.00 -0.07 -0.04 2.70 2.60 2j4oA1 HIS 207 H -0.08 0.49 0.13 -0.55 8.41 8.40 2j4oA1 HIS 207 HA 0.03 0.12 0.72 -0.75 4.63 4.74 2j4oA1 HIS 207 HB2 0.03 -0.14 0.35 -0.04 3.26 3.47 2j4oA1 HIS 207 HB3 0.02 0.00 0.10 -0.04 3.20 3.29 2j4oA1 HIS 207 HD2 0.03 -0.04 -0.05 -0.04 6.97 6.87 2j4oA1 HIS 207 HE1 0.02 0.24 0.11 -0.04 7.75 8.08 2j4oA1 THR 208 H 0.08 0.33 0.21 -0.55 8.28 8.35 2j4oA1 THR 208 HA 0.05 0.37 0.64 -0.75 4.39 4.70 2j4oA1 THR 208 HB 0.03 0.10 0.12 -0.04 4.32 4.53 2j4oA1 THR 208 HG23 0.04 -0.00 -0.43 -0.04 1.22 0.79 2j4oA1 THR 209 H 0.02 0.32 0.10 -0.55 8.28 8.17 2j4oA1 THR 209 HA 0.03 0.10 0.29 -0.75 4.39 4.05 2j4oA1 THR 209 HB 0.02 0.02 -0.02 -0.04 4.32 4.30 2j4oA1 THR 209 HG23 0.01 0.05 -0.14 -0.04 1.22 1.10 2j4oA1 GLU 210 H 0.02 0.00 -0.31 -0.55 8.60 7.77 2j4oA1 GLU 210 HA 0.02 0.16 0.48 -0.75 4.29 4.19 2j4oA1 GLU 210 HB2 0.01 -0.07 0.00 -0.04 2.09 2.00 2j4oA1 GLU 210 HB3 0.01 -0.00 0.02 -0.04 1.99 1.97 2j4oA1 GLU 210 HG2 0.01 0.05 0.02 -0.04 2.34 2.37 2j4oA1 GLU 210 HG3 0.01 0.02 -0.03 -0.04 2.34 2.30 2j4oA1 ASN 211 H 0.03 0.27 -0.40 -0.55 8.53 7.88 2j4oA1 ASN 211 HA 0.02 0.05 0.57 -0.75 4.76 4.65 2j4oA1 ASN 211 HB2 0.04 0.22 0.24 -0.04 2.88 3.35 2j4oA1 ASN 211 HB3 0.07 0.15 0.32 -0.04 2.79 3.29 2j4oA1 ASN 211 HD21 0.11 -0.01 -0.04 -0.04 7.03 7.04 2j4oA1 ASN 211 HD22 0.06 0.32 -0.06 -0.04 7.74 8.01 2j4oA1 GLU 212 H 0.03 0.23 0.23 -0.55 8.60 8.54 2j4oA1 GLU 212 HA 0.04 0.15 0.34 -0.75 4.29 4.07 2j4oA1 GLU 212 HB2 0.01 -0.05 0.15 -0.04 2.09 2.17 2j4oA1 GLU 212 HB3 0.01 0.02 0.02 -0.04 1.99 2.01 2j4oA1 GLU 212 HG2 0.02 0.08 0.07 -0.04 2.34 2.47 2j4oA1 GLU 212 HG3 0.01 0.03 0.14 -0.04 2.34 2.48 2j4oA1 ASP 213 H 0.06 0.12 -0.08 -0.55 8.40 7.94 2j4oA1 ASP 213 HA 0.14 0.10 0.47 -0.75 4.63 4.58 2j4oA1 ASP 213 HB2 0.08 -0.02 0.05 -0.04 2.71 2.79 2j4oA1 ASP 213 HB3 0.10 0.07 0.02 -0.04 2.70 2.85 2j4oA1 GLU 214 H 0.09 0.15 -0.35 -0.55 8.60 7.94 2j4oA1 GLU 214 HA 0.04 0.09 0.50 -0.75 4.29 4.16 2j4oA1 GLU 214 HB2 0.08 0.22 0.17 -0.04 2.09 2.51 2j4oA1 GLU 214 HB3 0.05 0.02 -0.08 -0.04 1.99 1.94 2j4oA1 GLU 214 HG2 0.16 -0.08 -0.00 -0.04 2.34 2.38 2j4oA1 GLU 214 HG3 0.18 -0.13 0.07 -0.04 2.34 2.42 2j4oA1 LEU 215 H 0.07 0.49 -0.09 -0.55 8.37 8.30 2j4oA1 LEU 215 HA 0.04 0.02 0.41 -0.75 4.35 4.07 2j4oA1 LEU 215 HB2 0.06 0.12 0.09 -0.04 1.64 1.85 2j4oA1 LEU 215 HB3 0.08 -0.01 0.00 -0.04 1.64 1.67 2j4oA1 LEU 215 HG 0.03 0.34 0.06 -0.04 1.64 2.04 2j4oA1 LEU 215 HD13 0.04 -0.03 -0.05 -0.04 0.93 0.85 2j4oA1 LEU 215 HD23 0.03 -0.03 0.05 -0.04 0.89 0.90 2j4oA1 PHE 216 H 0.20 0.52 -0.18 -0.55 8.34 8.33 2j4oA1 PHE 216 HA 0.00 0.01 0.45 -0.75 4.62 4.32 2j4oA1 PHE 216 HB2 0.00 0.01 0.11 -0.04 3.15 3.24 2j4oA1 PHE 216 HB3 0.00 0.12 0.20 -0.04 3.06 3.34 2j4oA1 PHE 216 HD2 0.00 0.00 0.03 -0.04 7.28 7.27 2j4oA1 PHE 216 HE2 0.00 0.00 -0.01 -0.04 7.38 7.33 2j4oA1 PHE 216 HZ 0.00 0.01 -0.01 -0.04 7.32 7.28 2j4oA1 ARG 217 H 0.06 0.53 -0.05 -0.55 8.46 8.45 2j4oA1 ARG 217 HA -0.26 -0.01 0.37 -0.75 4.34 3.68 2j4oA1 ARG 217 HB2 -0.01 0.03 0.19 -0.04 1.90 2.06 2j4oA1 ARG 217 HB3 -0.03 0.12 0.18 -0.04 1.80 2.03 2j4oA1 ARG 217 HG2 -0.08 0.07 -0.16 -0.04 1.67 1.45 2j4oA1 ARG 217 HG3 -0.08 -0.05 0.03 -0.04 1.67 1.53 2j4oA1 ARG 217 HD2 -0.06 -0.01 -0.01 -0.04 3.22 3.09 2j4oA1 ARG 217 HD3 -0.04 -0.06 0.01 -0.04 3.22 3.09 2j4oA1 LEU 218 H -0.04 0.50 -0.35 -0.55 8.37 7.94 2j4oA1 LEU 218 HA -0.07 0.07 0.38 -0.75 4.35 3.97 2j4oA1 LEU 218 HB2 -0.01 0.08 0.09 -0.04 1.64 1.75 2j4oA1 LEU 218 HB3 -0.03 -0.09 -0.00 -0.04 1.64 1.47 2j4oA1 LEU 218 HG -0.02 0.39 0.11 -0.04 1.64 2.07 2j4oA1 LEU 218 HD13 -0.00 -0.05 -0.13 -0.04 0.93 0.70 2j4oA1 LEU 218 HD23 -0.05 0.00 0.00 -0.04 0.89 0.80 2j4oA1 SER 219 H -0.07 0.48 -0.17 -0.55 8.46 8.16 2j4oA1 SER 219 HA -0.03 0.24 0.72 -0.75 4.49 4.65 2j4oA1 SER 219 HB2 0.00 -0.07 0.14 -0.04 3.95 3.98 2j4oA1 SER 219 HB3 0.02 -0.09 0.20 -0.04 3.93 4.02 2j4oA1 GLN 220 H -0.30 0.64 -0.01 -0.55 8.47 8.26 2j4oA1 GLN 220 HA -0.18 -0.01 0.40 -0.75 4.36 3.82 2j4oA1 GLN 220 HB2 -0.31 0.23 0.12 -0.04 2.15 2.15 2j4oA1 GLN 220 HB3 -0.23 -0.06 0.11 -0.04 2.02 1.80 2j4oA1 GLN 220 HG2 -1.12 0.09 0.00 -0.04 2.40 1.34 2j4oA1 GLN 220 HG3 -0.93 -0.07 -0.06 -0.04 2.39 1.28 2j4oA1 GLN 220 HE21 -0.00 -0.03 0.01 -0.04 6.97 6.90 2j4oA1 GLN 220 HE22 -0.22 -0.01 -0.00 -0.04 7.69 7.42 2j4oA1 LEU 221 H -0.10 0.19 -0.92 -0.55 8.37 6.99 2j4oA1 LEU 221 HA -0.06 0.15 0.78 -0.75 4.35 4.47 2j4oA1 LEU 221 HB2 -0.07 0.14 0.06 -0.04 1.64 1.73 2j4oA1 LEU 221 HB3 -0.06 -0.21 0.16 -0.04 1.64 1.49 2j4oA1 LEU 221 HG -0.10 0.27 -0.06 -0.04 1.64 1.70 2j4oA1 LEU 221 HD13 -0.11 0.01 -0.17 -0.04 0.93 0.62 2j4oA1 LEU 221 HD23 -0.07 -0.01 -0.16 -0.04 0.89 0.60 2j4oA1 GLY 222 H -0.05 0.63 -0.13 -0.55 8.43 8.34 2j4oA1 GLY 222 HA2 -0.01 -0.02 0.29 -0.51 4.01 3.76 2j4oA1 GLY 222 HA3 -0.01 0.18 0.63 -0.51 4.01 4.30 2j4oA1 LEU 223 H -0.03 0.34 0.10 -0.55 8.37 8.24 2j4oA1 LEU 223 HA 0.00 0.12 0.72 -0.75 4.35 4.44 2j4oA1 LEU 223 HB2 -0.02 0.25 0.03 -0.04 1.64 1.85 2j4oA1 LEU 223 HB3 -0.01 -0.05 -0.10 -0.04 1.64 1.44 2j4oA1 LEU 223 HG -0.01 0.02 -0.13 -0.04 1.64 1.48 2j4oA1 LEU 223 HD13 -0.03 -0.00 0.06 -0.04 0.93 0.92 2j4oA1 LEU 223 HD23 0.02 0.07 0.05 -0.04 0.89 0.99 2j4oA1 ASP 224 H 0.01 0.19 0.11 -0.55 8.40 8.16 2j4oA1 ASP 224 HA 0.01 0.11 0.61 -0.75 4.63 4.60 2j4oA1 ASP 224 HB2 0.01 0.12 0.12 -0.04 2.71 2.92 2j4oA1 ASP 224 HB3 0.01 0.04 0.22 -0.04 2.70 2.93 2j4oA1 ALA 225 H 0.01 0.33 0.20 -0.55 8.40 8.39 2j4oA1 ALA 225 HA 0.01 0.07 0.29 -0.75 4.34 3.96 2j4oA1 ALA 225 HB3 0.03 0.03 0.09 -0.04 1.41 1.53 2j4oA1 GLY 226 H 0.02 0.09 -0.19 -0.55 8.43 7.80 2j4oA1 GLY 226 HA2 0.02 0.08 0.31 -0.51 4.01 3.90 2j4oA1 GLY 226 HA3 0.01 0.04 0.26 -0.51 4.01 3.82 2j4oA1 LYS 227 H 0.01 0.13 -0.14 -0.55 8.42 7.87 2j4oA1 LYS 227 HA 0.01 0.07 0.47 -0.75 4.32 4.12 2j4oA1 LYS 227 HB2 0.01 0.01 0.15 -0.04 1.87 2.00 2j4oA1 LYS 227 HB3 0.01 0.05 -0.02 -0.04 1.79 1.78 2j4oA1 LYS 227 HG2 0.01 0.03 0.03 -0.04 1.46 1.48 2j4oA1 LYS 227 HG3 0.01 0.01 0.04 -0.04 1.46 1.48 2j4oA1 LYS 227 HD2 0.01 -0.01 -0.10 -0.04 1.69 1.54 2j4oA1 LYS 227 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 2j4oA1 LYS 227 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 2j4oA1 LYS 227 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2j4oA1 ILE 228 H 0.01 0.44 -0.06 -0.55 8.25 8.09 2j4oA1 ILE 228 HA 0.01 0.02 0.42 -0.75 4.18 3.87 2j4oA1 ILE 228 HB 0.01 -0.05 -0.02 -0.04 1.89 1.79 2j4oA1 ILE 228 HG12 0.01 0.07 0.10 -0.04 1.49 1.63 2j4oA1 ILE 228 HG13 0.01 0.06 -0.11 -0.04 1.21 1.14 2j4oA1 ILE 228 HG23 0.01 0.03 0.03 -0.04 0.93 0.95 2j4oA1 ILE 228 HD13 0.00 -0.01 -0.11 -0.04 0.88 0.73 2j4oA1 LYS 229 H 0.01 0.79 -0.11 -0.55 8.42 8.55 2j4oA1 LYS 229 HA 0.01 -0.05 0.36 -0.75 4.32 3.90 2j4oA1 LYS 229 HB2 0.02 -0.01 0.07 -0.04 1.87 1.90 2j4oA1 LYS 229 HB3 0.02 0.11 0.09 -0.04 1.79 1.97 2j4oA1 LYS 229 HG2 0.01 0.00 -0.21 -0.04 1.46 1.23 2j4oA1 LYS 229 HG3 0.02 0.05 -0.03 -0.04 1.46 1.45 2j4oA1 LYS 229 HD2 0.02 -0.04 -0.06 -0.04 1.69 1.57 2j4oA1 LYS 229 HD3 0.01 -0.00 -0.07 -0.04 1.68 1.58 2j4oA1 LYS 229 HE2 0.01 -0.00 -0.05 -0.04 2.99 2.91 2j4oA1 LYS 229 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 2j4oA1 GLN 230 H 0.01 0.35 -0.27 -0.55 8.47 8.02 2j4oA1 GLN 230 HA 0.01 0.03 0.43 -0.75 4.36 4.08 2j4oA1 GLN 230 HB2 0.01 -0.02 0.10 -0.04 2.15 2.21 2j4oA1 GLN 230 HB3 0.01 0.09 0.19 -0.04 2.02 2.27 2j4oA1 GLN 230 HG2 0.01 0.01 -0.25 -0.04 2.40 2.13 2j4oA1 GLN 230 HG3 0.01 -0.02 0.01 -0.04 2.39 2.36 2j4oA1 GLN 230 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.89 2j4oA1 GLN 230 HE22 0.01 0.01 -0.01 -0.04 7.69 7.66 2j4oA1 VAL 231 H 0.01 0.47 -0.01 -0.55 8.24 8.16 2j4oA1 VAL 231 HA 0.01 0.05 0.53 -0.75 4.13 3.96 2j4oA1 VAL 231 HB 0.01 0.01 0.16 -0.04 2.12 2.26 2j4oA1 VAL 231 HG13 0.01 -0.04 0.02 -0.04 0.97 0.91 2j4oA1 VAL 231 HG23 0.01 0.03 0.06 -0.04 0.95 1.01 2j4oA1 GLY 232 H 0.01 0.63 -0.15 -0.55 8.43 8.37 2j4oA1 GLY 232 HA2 0.01 -0.05 0.28 -0.51 4.01 3.73 2j4oA1 GLY 232 HA3 0.01 0.05 0.24 -0.51 4.01 3.80 2j4oA1 ILE 233 H 0.00 0.19 -0.43 -0.55 8.25 7.46 2j4oA1 ILE 233 HA -0.01 0.11 0.55 -0.75 4.18 4.07 2j4oA1 ILE 233 HB -0.00 0.13 -0.32 -0.04 1.89 1.65 2j4oA1 ILE 233 HG12 -0.03 -0.14 -0.53 -0.04 1.49 0.75 2j4oA1 ILE 233 HG13 -0.03 -0.04 -0.64 -0.04 1.21 0.46 2j4oA1 ILE 233 HG23 -0.00 0.01 -0.13 -0.04 0.93 0.77 2j4oA1 ILE 233 HD13 -0.02 0.01 -0.28 -0.04 0.88 0.55 2j4oA1 ILE 234 H -0.03 0.79 0.14 -0.55 8.25 8.60 2j4oA1 ILE 234 HA -0.01 0.09 0.91 -0.75 4.18 4.41 2j4oA1 ILE 234 HB -0.03 0.10 0.08 -0.04 1.89 2.00 2j4oA1 ILE 234 HG12 -0.00 0.01 -0.21 -0.04 1.49 1.25 2j4oA1 ILE 234 HG13 -0.01 -0.11 -0.30 -0.04 1.21 0.75 2j4oA1 ILE 234 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.76 2j4oA1 ILE 234 HD13 -0.01 0.03 -0.14 -0.04 0.88 0.72 2j4oA1 CYS 235 H -0.01 0.18 0.04 -0.55 8.50 8.17 2j4oA1 CYS 235 HA -0.01 0.03 0.31 -0.75 4.58 4.16 2j4oA1 CYS 235 HB2 -0.02 0.13 -0.14 -0.04 2.97 2.91 2j4oA1 CYS 235 HB3 -0.00 0.00 0.11 -0.04 2.97 3.03 2j4oA1 GLY 236 H -0.03 0.12 -0.15 -0.55 8.43 7.83 2j4oA1 GLY 236 HA2 -0.03 0.02 0.24 -0.51 4.01 3.73 2j4oA1 GLY 236 HA3 -0.04 0.06 0.34 -0.51 4.01 3.86 2j4oA1 GLN 237 H -0.10 0.44 -0.85 -0.55 8.47 7.41 2j4oA1 GLN 237 HA -0.15 0.12 0.95 -0.75 4.36 4.53 2j4oA1 GLN 237 HB2 -0.30 0.21 -0.01 -0.04 2.15 2.01 2j4oA1 GLN 237 HB3 -0.29 -0.15 -0.04 -0.04 2.02 1.51 2j4oA1 GLN 237 HG2 -0.56 0.07 -0.30 -0.04 2.40 1.58 2j4oA1 GLN 237 HG3 -1.61 -0.04 -0.10 -0.04 2.39 0.60 2j4oA1 GLN 237 HE21 -0.09 -0.06 0.01 -0.04 6.97 6.79 2j4oA1 GLN 237 HE22 -0.21 -0.02 -0.07 -0.04 7.69 7.35 2j4oA1 GLU 238 H -0.07 0.07 0.14 -0.55 8.60 8.20 2j4oA1 GLU 238 HA -0.02 0.16 0.71 -0.75 4.29 4.38 2j4oA1 GLU 238 HB2 -0.01 -0.09 0.14 -0.04 2.09 2.09 2j4oA1 GLU 238 HB3 0.01 -0.06 0.01 -0.04 1.99 1.92 2j4oA1 GLU 238 HG2 0.00 0.41 0.17 -0.04 2.34 2.88 2j4oA1 GLU 238 HG3 -0.01 -0.06 -0.06 -0.04 2.34 2.17 2j4oA1 SER 239 H -0.04 -0.07 0.03 -0.55 8.46 7.83 2j4oA1 SER 239 HA 0.05 0.33 0.53 -0.75 4.49 4.64 2j4oA1 SER 239 HB2 0.02 -0.14 0.19 -0.04 3.95 3.97 2j4oA1 SER 239 HB3 0.01 0.07 0.00 -0.04 3.93 3.97 2j4oA1 THR 240 H 0.09 0.39 0.16 -0.55 8.28 8.37 2j4oA1 THR 240 HA 0.00 0.20 0.69 -0.75 4.39 4.53 2j4oA1 THR 240 HB 0.00 0.08 -0.01 -0.04 4.32 4.35 2j4oA1 THR 240 HG23 0.02 0.03 -0.26 -0.04 1.22 0.97 2j4oA1 ARG 241 H 0.07 0.03 0.02 -0.55 8.46 8.03 2j4oA1 ARG 241 HA -0.03 0.29 0.84 -0.75 4.34 4.69 2j4oA1 ARG 241 HB2 -0.01 -0.28 0.19 -0.04 1.90 1.76 2j4oA1 ARG 241 HB3 -0.08 0.14 0.01 -0.04 1.80 1.84 2j4oA1 ARG 241 HG2 -0.16 0.11 0.03 -0.04 1.67 1.61 2j4oA1 ARG 241 HG3 -0.29 -0.15 -0.17 -0.04 1.67 1.01 2j4oA1 ARG 241 HD2 -1.08 -0.10 0.07 -0.04 3.22 2.07 2j4oA1 ARG 241 HD3 -0.28 0.25 -0.01 -0.04 3.22 3.14 2j4oA1 ARG 242 H 0.03 0.66 0.06 -0.55 8.46 8.66 2j4oA1 ARG 242 HA 0.11 0.08 0.67 -0.75 4.34 4.45 2j4oA1 ARG 242 HB2 0.10 0.08 -0.28 -0.04 1.90 1.75 2j4oA1 ARG 242 HB3 0.19 -0.07 -0.09 -0.04 1.80 1.79 2j4oA1 ARG 242 HG2 0.07 -0.01 -0.43 -0.04 1.67 1.26 2j4oA1 ARG 242 HG3 0.04 -0.09 -0.87 -0.04 1.67 0.72 2j4oA1 ARG 242 HD2 0.11 0.02 -0.23 -0.04 3.22 3.08 2j4oA1 ARG 242 HD3 0.04 -0.09 -0.19 -0.04 3.22 2.94 2j4oA1 ILE 243 H 0.09 0.66 0.31 -0.55 8.25 8.76 2j4oA1 ILE 243 HA 0.05 0.14 0.83 -0.75 4.18 4.44 2j4oA1 ILE 243 HB 0.02 -0.04 0.06 -0.04 1.89 1.89 2j4oA1 ILE 243 HG12 0.19 0.10 -0.06 -0.04 1.49 1.67 2j4oA1 ILE 243 HG13 0.18 -0.01 -0.05 -0.04 1.21 1.29 2j4oA1 ILE 243 HG23 -0.03 -0.01 -0.13 -0.04 0.93 0.73 2j4oA1 ILE 243 HD13 0.23 -0.02 -0.13 -0.04 0.88 0.93 2j4oA1 GLY 244 H -0.01 0.13 0.10 -0.55 8.43 8.10 2j4oA1 GLY 244 HA2 0.07 0.05 0.25 -0.51 4.01 3.87 2j4oA1 GLY 244 HA3 -0.47 0.05 0.46 -0.51 4.01 3.54 2j4oA1 ASP 245 H -0.09 0.50 0.34 -0.55 8.40 8.60 2j4oA1 ASP 245 HA -0.05 0.07 0.44 -0.75 4.63 4.33 2j4oA1 ASP 245 HB2 -0.08 -0.01 -0.13 -0.04 2.71 2.45 2j4oA1 ASP 245 HB3 0.02 0.17 0.13 -0.04 2.70 2.99 2j4oA1 TYR 246 H 0.24 0.29 0.13 -0.55 8.29 8.40 2j4oA1 TYR 246 HA -0.24 0.09 0.32 -0.75 4.56 3.97 2j4oA1 TYR 246 HB2 0.11 0.04 0.04 -0.04 3.06 3.20 2j4oA1 TYR 246 HB3 0.03 0.13 0.11 -0.04 2.98 3.21 2j4oA1 TYR 246 HD2 0.09 0.07 -0.12 -0.04 7.15 7.15 2j4oA1 TYR 246 HE2 0.03 0.03 -0.07 -0.04 6.85 6.81 2j4oA1 LYS 247 H -0.81 0.08 -0.22 -0.55 8.42 6.91 2j4oA1 LYS 247 HA -0.37 0.08 0.32 -0.75 4.32 3.59 2j4oA1 LYS 247 HB2 -0.22 -0.02 -0.01 -0.04 1.87 1.57 2j4oA1 LYS 247 HB3 -0.18 0.07 -0.07 -0.04 1.79 1.57 2j4oA1 LYS 247 HG2 -0.55 0.06 0.01 -0.04 1.46 0.94 2j4oA1 LYS 247 HG3 -1.14 -0.08 0.04 -0.04 1.46 0.24 2j4oA1 LYS 247 HD2 -0.13 -0.02 -0.01 -0.04 1.69 1.49 2j4oA1 LYS 247 HD3 -0.11 0.04 -0.02 -0.04 1.68 1.55 2j4oA1 LYS 247 HE2 -0.02 0.04 -0.00 -0.04 2.99 2.97 2j4oA1 LYS 247 HE3 -0.10 -0.02 0.02 -0.04 2.99 2.85 2j4oA1 VAL 248 H -0.07 0.23 -0.27 -0.55 8.24 7.59 2j4oA1 VAL 248 HA 0.07 0.14 0.60 -0.75 4.13 4.19 2j4oA1 VAL 248 HB 0.03 -0.02 0.01 -0.04 2.12 2.10 2j4oA1 VAL 248 HG13 0.02 -0.01 -0.13 -0.04 0.97 0.81 2j4oA1 VAL 248 HG23 0.02 0.03 -0.14 -0.04 0.95 0.82 2j4oA1 LYS 249 H -0.05 0.35 -0.09 -0.55 8.42 8.07 2j4oA1 LYS 249 HA 0.04 0.13 0.60 -0.75 4.32 4.33 2j4oA1 LYS 249 HB2 -0.38 -0.07 0.02 -0.04 1.87 1.40 2j4oA1 LYS 249 HB3 -0.28 -0.06 0.01 -0.04 1.79 1.42 2j4oA1 LYS 249 HG2 -0.04 0.19 -0.00 -0.04 1.46 1.56 2j4oA1 LYS 249 HG3 -0.07 -0.12 -0.14 -0.04 1.46 1.09 2j4oA1 LYS 249 HD2 -0.02 -0.13 0.02 -0.04 1.69 1.52 2j4oA1 LYS 249 HD3 -0.02 0.05 0.02 -0.04 1.68 1.69 2j4oA1 LYS 249 HE2 0.00 -0.13 -0.09 -0.04 2.99 2.73 2j4oA1 LYS 249 HE3 -0.00 -0.03 -0.18 -0.04 2.99 2.74 2j4oA1 TYR 250 H 0.07 0.52 -0.08 -0.55 8.29 8.25 2j4oA1 TYR 250 HA 0.07 0.24 1.00 -0.75 4.56 5.12 2j4oA1 TYR 250 HB2 0.13 0.05 0.03 -0.04 3.06 3.24 2j4oA1 TYR 250 HB3 0.05 -0.02 -0.00 -0.04 2.98 2.96 2j4oA1 TYR 250 HD2 0.11 0.06 -0.09 -0.04 7.15 7.19 2j4oA1 TYR 250 HE2 0.02 0.01 -0.06 -0.04 6.85 6.78 2j4oA1 GLY 251 H 0.12 0.33 -0.04 -0.55 8.43 8.29 2j4oA1 GLY 251 HA2 -0.02 0.17 0.74 -0.51 4.01 4.38 2j4oA1 GLY 251 HA3 0.04 0.02 0.36 -0.51 4.01 3.91 2j4oA1 TYR 252 H 0.04 0.23 -0.47 -0.55 8.29 7.54 2j4oA1 TYR 252 HA 0.01 0.03 0.36 -0.75 4.56 4.21 2j4oA1 TYR 252 HB2 0.01 -0.05 -0.01 -0.04 3.06 2.96 2j4oA1 TYR 252 HB3 0.01 0.19 0.11 -0.04 2.98 3.25 2j4oA1 TYR 252 HD2 0.02 0.13 -0.30 -0.04 7.15 6.96 2j4oA1 TYR 252 HE2 0.04 0.18 -0.16 -0.04 6.85 6.87 2j4oA1 THR 253 H -0.70 0.18 -0.22 -0.55 8.28 6.99 2j4oA1 THR 253 HA 0.01 0.17 0.25 -0.75 4.39 4.06 2j4oA1 THR 253 HB -0.09 0.05 0.06 -0.04 4.32 4.31 2j4oA1 THR 253 HG23 -0.41 0.04 -0.02 -0.04 1.22 0.79 2j4oA1 ASP 254 H -0.06 0.25 -0.90 -0.55 8.40 7.15 2j4oA1 ASP 254 HA -0.01 0.14 0.70 -0.75 4.63 4.70 2j4oA1 ASP 254 HB2 -0.01 0.18 0.08 -0.04 2.71 2.93 2j4oA1 ASP 254 HB3 -0.00 -0.07 0.18 -0.04 2.70 2.76 2j4oA1 ILE 255 H 0.04 0.74 -0.40 -0.55 8.25 8.08 2j4oA1 ILE 255 HA 0.02 0.14 0.94 -0.75 4.18 4.52 2j4oA1 ILE 255 HB 0.06 0.07 0.19 -0.04 1.89 2.17 2j4oA1 ILE 255 HG12 0.02 0.00 -0.10 -0.04 1.49 1.37 2j4oA1 ILE 255 HG13 0.03 0.19 -0.36 -0.04 1.21 1.03 2j4oA1 ILE 255 HG23 0.02 -0.06 -0.05 -0.04 0.93 0.80 2j4oA1 ILE 255 HD13 0.03 -0.03 -0.17 -0.04 0.88 0.67 2j4oA1 ASP 256 H 0.02 0.25 0.02 -0.55 8.40 8.14 2j4oA1 ASP 256 HA 0.02 0.11 0.34 -0.75 4.63 4.35 2j4oA1 ASP 256 HB2 0.01 -0.09 0.09 -0.04 2.71 2.69 2j4oA1 ASP 256 HB3 0.01 0.05 0.03 -0.04 2.70 2.75 2j4oA1 LEU 257 H 0.02 0.06 -0.16 -0.55 8.37 7.74 2j4oA1 LEU 257 HA 0.02 0.02 0.39 -0.75 4.35 4.02 2j4oA1 LEU 257 HB2 0.01 -0.04 0.11 -0.04 1.64 1.68 2j4oA1 LEU 257 HB3 0.02 0.03 0.01 -0.04 1.64 1.66 2j4oA1 LEU 257 HG 0.01 0.01 -0.01 -0.04 1.64 1.61 2j4oA1 LEU 257 HD13 0.01 -0.00 -0.00 -0.04 0.93 0.89 2j4oA1 LEU 257 HD23 0.01 -0.02 0.03 -0.04 0.89 0.86 2j4oA1 LEU 258 H 0.04 0.98 -0.08 -0.55 8.37 8.77 2j4oA1 LEU 258 HA 0.03 0.12 0.92 -0.75 4.35 4.68 2j4oA1 LEU 258 HB2 0.12 0.19 0.00 -0.04 1.64 1.91 2j4oA1 LEU 258 HB3 0.07 -0.04 0.08 -0.04 1.64 1.71 2j4oA1 LEU 258 HG 0.03 -0.12 -0.17 -0.04 1.64 1.33 2j4oA1 LEU 258 HD13 0.05 0.00 -0.02 -0.04 0.93 0.92 2j4oA1 LEU 258 HD23 -0.01 0.02 -0.10 -0.04 0.89 0.76 2j4oA1 SER 259 H 0.05 0.24 -0.21 -0.55 8.46 8.00 2j4oA1 SER 259 HA 0.07 0.02 0.26 -0.75 4.49 4.09 2j4oA1 SER 259 HB2 0.02 0.05 0.07 -0.04 3.95 4.05 2j4oA1 SER 259 HB3 0.03 -0.15 -0.17 -0.04 3.93 3.60 2j4oA1 ALA 260 H 0.05 -0.01 -0.69 -0.55 8.40 7.21 2j4oA1 ALA 260 HA 0.04 0.11 0.60 -0.75 4.34 4.34 2j4oA1 ALA 260 HB3 0.02 -0.02 0.04 -0.04 1.41 1.41 2j4oA1 ALA 261 H 0.09 0.67 -0.02 -0.55 8.40 8.60 2j4oA1 ALA 261 HA 0.01 0.07 0.28 -0.75 4.34 3.95 2j4oA1 ALA 261 HB3 -0.03 0.01 0.11 -0.04 1.41 1.47 2j4oA1 LYS 262 H 0.01 0.45 0.35 -0.55 8.42 8.68 2j4oA1 LYS 262 HA 0.08 0.13 0.75 -0.75 4.32 4.53 2j4oA1 LYS 262 HB2 0.03 -0.11 0.19 -0.04 1.87 1.94 2j4oA1 LYS 262 HB3 0.02 0.09 0.13 -0.04 1.79 1.98 2j4oA1 LYS 262 HG2 -0.01 0.15 0.15 -0.04 1.46 1.70 2j4oA1 LYS 262 HG3 -0.00 -0.08 -0.18 -0.04 1.46 1.16 2j4oA1 LYS 262 HD2 0.00 -0.08 0.02 -0.04 1.69 1.59 2j4oA1 LYS 262 HD3 -0.01 0.00 -0.06 -0.04 1.68 1.57 2j4oA1 LYS 262 HE2 -0.04 0.31 0.15 -0.04 2.99 3.37 2j4oA1 LYS 262 HE3 -0.02 -0.08 0.01 -0.04 2.99 2.86 2j4oA1 SER 263 H -0.01 0.28 -0.14 -0.55 8.46 8.05 2j4oA1 SER 263 HA 0.06 0.07 0.50 -0.75 4.49 4.36 2j4oA1 SER 263 HB2 -0.01 0.10 -0.27 -0.04 3.95 3.73 2j4oA1 SER 263 HB3 -0.06 0.00 -0.15 -0.04 3.93 3.69 2j4oA1 LYS 264 H -0.05 0.09 0.06 -0.55 8.42 7.96 2j4oA1 LYS 264 HA -0.90 0.10 0.37 -0.75 4.32 3.13 2j4oA1 LYS 264 HB2 -0.08 -0.09 0.09 -0.04 1.87 1.74 2j4oA1 LYS 264 HB3 -0.13 0.15 -0.05 -0.04 1.79 1.72 2j4oA1 LYS 264 HG2 0.13 0.20 0.13 -0.04 1.46 1.88 2j4oA1 LYS 264 HG3 0.08 -0.08 0.12 -0.04 1.46 1.55 2j4oA1 LYS 264 HD2 0.03 -0.09 0.05 -0.04 1.69 1.64 2j4oA1 LYS 264 HD3 0.02 0.03 0.07 -0.04 1.68 1.76 2j4oA1 LYS 264 HE2 0.17 0.18 0.07 -0.04 2.99 3.36 2j4oA1 LYS 264 HE3 0.13 -0.03 0.05 -0.04 2.99 3.09 2j4oA1 PRO 265 HA -0.16 0.08 0.51 -0.51 4.44 4.36 2j4oA1 PRO 265 HB2 -0.10 -0.02 0.02 -0.04 2.28 2.14 2j4oA1 PRO 265 HB3 -0.14 0.03 0.14 -0.04 2.02 2.01 2j4oA1 PRO 265 HG2 -0.18 -0.06 0.13 -0.04 2.03 1.87 2j4oA1 PRO 265 HG3 -0.16 0.02 0.09 -0.04 2.03 1.94 2j4oA1 PRO 265 HD2 -1.25 0.08 0.22 -0.04 3.68 2.69 2j4oA1 PRO 265 HD3 -0.92 0.28 0.20 -0.04 3.65 3.17 2j4oA1 ILE 266 H -0.15 0.14 -0.07 -0.55 8.25 7.61 2j4oA1 ILE 266 HA -0.05 0.38 0.78 -0.75 4.18 4.53 2j4oA1 ILE 266 HB -0.03 -0.03 0.01 -0.04 1.89 1.81 2j4oA1 ILE 266 HG12 -0.03 0.09 -0.12 -0.04 1.49 1.39 2j4oA1 ILE 266 HG13 -0.05 -0.09 -0.12 -0.04 1.21 0.90 2j4oA1 ILE 266 HG23 0.01 -0.01 -0.37 -0.04 0.93 0.51 2j4oA1 ILE 266 HD13 -0.01 -0.02 -0.11 -0.04 0.88 0.71 2j4oA1 ILE 267 H -0.06 0.28 0.25 -0.55 8.25 8.17 2j4oA1 ILE 267 HA -0.03 0.23 0.91 -0.75 4.18 4.54 2j4oA1 ILE 267 HB -0.03 -0.22 0.14 -0.04 1.89 1.74 2j4oA1 ILE 267 HG12 -0.08 0.14 0.13 -0.04 1.49 1.63 2j4oA1 ILE 267 HG13 -0.09 -0.04 -0.10 -0.04 1.21 0.94 2j4oA1 ILE 267 HG23 -0.06 0.05 -0.16 -0.04 0.93 0.71 2j4oA1 ILE 267 HD13 -0.08 -0.01 -0.00 -0.04 0.88 0.74 2j4oA1 ALA 268 H 0.01 0.11 0.17 -0.55 8.40 8.14 2j4oA1 ALA 268 HA 0.06 0.21 0.72 -0.75 4.34 4.57 2j4oA1 ALA 268 HB3 0.08 0.01 0.11 -0.04 1.41 1.56 2j4oA1 GLU 269 H -0.01 0.00 -0.05 -0.55 8.60 8.00 2j4oA1 GLU 269 HA 0.02 0.12 0.47 -0.75 4.29 4.14 2j4oA1 GLU 269 HB2 -0.01 -0.05 0.10 -0.04 2.09 2.08 2j4oA1 GLU 269 HB3 -0.06 -0.03 0.05 -0.04 1.99 1.91 2j4oA1 GLU 269 HG2 -0.06 0.24 -0.11 -0.04 2.34 2.38 2j4oA1 GLU 269 HG3 -0.01 -0.01 0.06 -0.04 2.34 2.33 2j4oA1 PRO 270 HA -0.16 0.24 0.54 -0.51 4.44 4.56 2j4oA1 PRO 270 HB2 -0.54 -0.05 -0.16 -0.04 2.28 1.49 2j4oA1 PRO 270 HB3 -1.22 0.01 -0.12 -0.04 2.02 0.65 2j4oA1 PRO 270 HG2 -0.24 -0.02 -0.06 -0.04 2.03 1.68 2j4oA1 PRO 270 HG3 -0.54 0.05 -0.07 -0.04 2.03 1.44 2j4oA1 PRO 270 HD2 -0.06 0.05 0.22 -0.04 3.68 3.85 2j4oA1 PRO 270 HD3 -0.05 0.19 0.19 -0.04 3.65 3.94 2j4oA1 GLU 271 H 0.02 0.55 0.39 -0.55 8.60 9.01 2j4oA1 GLU 271 HA -0.10 0.11 0.75 -0.75 4.29 4.30 2j4oA1 GLU 271 HB2 0.14 0.03 0.12 -0.04 2.09 2.34 2j4oA1 GLU 271 HB3 0.19 -0.04 0.23 -0.04 1.99 2.33 2j4oA1 GLU 271 HG2 -0.51 0.00 -0.11 -0.04 2.34 1.68 2j4oA1 GLU 271 HG3 -0.13 0.03 0.09 -0.04 2.34 2.30 2j4oA1 ILE 272 H -0.18 0.19 0.15 -0.55 8.25 7.87 2j4oA1 ILE 272 HA -0.10 0.25 1.04 -0.75 4.18 4.62 2j4oA1 ILE 272 HB -0.06 -0.02 0.04 -0.04 1.89 1.81 2j4oA1 ILE 272 HG12 -0.11 0.04 -0.24 -0.04 1.49 1.13 2j4oA1 ILE 272 HG13 -0.05 0.03 -0.05 -0.04 1.21 1.10 2j4oA1 ILE 272 HG23 0.05 -0.00 -0.16 -0.04 0.93 0.78 2j4oA1 ILE 272 HD13 -0.10 -0.00 -0.19 -0.04 0.88 0.55 2j4oA1 HIS 273 H 0.10 0.59 0.31 -0.55 8.41 8.86 2j4oA1 HIS 273 HA 0.04 0.18 1.29 -0.75 4.63 5.38 2j4oA1 HIS 273 HB2 0.03 -0.08 0.13 -0.04 3.26 3.30 2j4oA1 HIS 273 HB3 0.01 0.04 -0.01 -0.04 3.20 3.20 2j4oA1 HIS 273 HD2 0.02 0.00 -0.17 -0.04 6.97 6.77 2j4oA1 HIS 273 HE1 0.01 -0.04 -0.03 -0.04 7.75 7.64 2j4oA1 GLY 274 H 0.10 0.17 0.18 -0.55 8.43 8.33 2j4oA1 GLY 274 HA2 0.05 0.03 0.35 -0.51 4.01 3.93 2j4oA1 GLY 274 HA3 0.04 -0.01 0.35 -0.51 4.01 3.88 2j4oA1 ALA 275 H -0.05 0.11 -0.09 -0.55 8.40 7.82 2j4oA1 ALA 275 HA -0.55 0.09 0.36 -0.75 4.34 3.49 2j4oA1 ALA 275 HB3 -0.09 0.03 0.18 -0.04 1.41 1.48 2j4oA1 GLN 276 H -0.24 0.70 0.36 -0.55 8.47 8.74 2j4oA1 GLN 276 HA -0.11 0.21 0.96 -0.75 4.36 4.67 2j4oA1 GLN 276 HB2 -0.13 -0.06 0.19 -0.04 2.15 2.11 2j4oA1 GLN 276 HB3 -0.13 0.13 -0.00 -0.04 2.02 1.98 2j4oA1 GLN 276 HG2 -0.07 -0.11 -0.04 -0.04 2.40 2.14 2j4oA1 GLN 276 HG3 -0.07 -0.03 -0.02 -0.04 2.39 2.23 2j4oA1 GLN 276 HE21 -0.05 0.02 -0.02 -0.04 6.97 6.88 2j4oA1 GLN 276 HE22 -0.04 -0.06 -0.06 -0.04 7.69 7.49 2j4oA1 PRO 277 HA -0.10 0.13 0.71 -0.51 4.44 4.68 2j4oA1 PRO 277 HB2 -0.06 -0.00 0.09 -0.04 2.28 2.26 2j4oA1 PRO 277 HB3 -0.06 0.02 0.13 -0.04 2.02 2.07 2j4oA1 PRO 277 HG2 -0.08 0.05 0.15 -0.04 2.03 2.10 2j4oA1 PRO 277 HG3 -0.06 0.04 0.11 -0.04 2.03 2.08 2j4oA1 PRO 277 HD2 -0.09 0.06 0.31 -0.04 3.68 3.92 2j4oA1 PRO 277 HD3 -0.08 0.23 0.26 -0.04 3.65 4.02 2j4oA1 LEU 278 H -0.11 0.42 0.33 -0.55 8.37 8.47 2j4oA1 LEU 278 HA -0.21 0.24 0.93 -0.75 4.35 4.56 2j4oA1 LEU 278 HB2 -0.21 0.05 0.04 -0.04 1.64 1.48 2j4oA1 LEU 278 HB3 -0.45 -0.03 0.11 -0.04 1.64 1.23 2j4oA1 LEU 278 HG -0.31 0.08 -0.53 -0.04 1.64 0.83 2j4oA1 LEU 278 HD13 -0.17 0.02 -0.35 -0.04 0.93 0.39 2j4oA1 LEU 278 HD23 -1.18 -0.02 -0.16 -0.04 0.89 -0.51 2j4oA1 ASP 279 H -0.07 0.06 0.04 -0.55 8.40 7.88 2j4oA1 ASP 279 HA -0.04 0.06 0.58 -0.75 4.63 4.48 2j4oA1 ASP 279 HB2 -0.03 -0.00 0.12 -0.04 2.71 2.76 2j4oA1 ASP 279 HB3 -0.02 0.03 0.02 -0.04 2.70 2.70 2j4oA1 GLY 280 H -0.03 0.13 0.19 -0.55 8.43 8.18 2j4oA1 GLY 280 HA2 -0.02 0.01 0.30 -0.51 4.01 3.80 2j4oA1 GLY 280 HA3 -0.03 0.03 0.31 -0.51 4.01 3.82 2j4oA1 VAL 281 H -0.08 0.27 -0.52 -0.55 8.24 7.37 2j4oA1 VAL 281 HA -0.06 0.16 0.84 -0.75 4.13 4.32 2j4oA1 VAL 281 HB -0.12 0.03 -0.07 -0.04 2.12 1.92 2j4oA1 VAL 281 HG13 -0.23 -0.02 -0.12 -0.04 0.97 0.56 2j4oA1 VAL 281 HG23 -0.14 -0.02 -0.18 -0.04 0.95 0.56 2j4oA1 THR 282 H -0.03 0.26 0.20 -0.55 8.28 8.16 2j4oA1 THR 282 HA 0.07 0.44 0.95 -0.75 4.39 5.10 2j4oA1 THR 282 HB 0.03 0.03 0.13 -0.04 4.32 4.47 2j4oA1 THR 282 HG23 0.15 -0.03 -0.16 -0.04 1.22 1.15 2j4oA1 GLY 283 H 0.13 0.63 0.26 -0.55 8.43 8.91 2j4oA1 GLY 283 HA2 -0.35 -0.02 0.33 -0.51 4.01 3.46 2j4oA1 GLY 283 HA3 -0.22 0.37 0.88 -0.51 4.01 4.53 2j4oA1 PHE 284 H -0.57 0.63 0.38 -0.55 8.34 8.23 2j4oA1 PHE 284 HA -0.14 0.12 0.76 -0.75 4.62 4.60 2j4oA1 PHE 284 HB2 -0.09 0.07 0.00 -0.04 3.15 3.08 2j4oA1 PHE 284 HB3 -0.14 0.00 -0.10 -0.04 3.06 2.78 2j4oA1 PHE 284 HD2 -0.52 0.01 -0.37 -0.04 7.28 6.36 2j4oA1 PHE 284 HE2 -0.38 -0.01 -0.15 -0.04 7.38 6.80 2j4oA1 PHE 284 HZ -0.09 0.10 -0.08 -0.04 7.32 7.21 2j4oA1 LEU 285 H -0.15 0.77 0.38 -0.55 8.37 8.82 2j4oA1 LEU 285 HA 0.02 0.25 1.07 -0.75 4.35 4.93 2j4oA1 LEU 285 HB2 0.27 0.01 -0.01 -0.04 1.64 1.87 2j4oA1 LEU 285 HB3 -0.18 -0.00 0.15 -0.04 1.64 1.57 2j4oA1 LEU 285 HG -0.04 -0.03 -0.53 -0.04 1.64 1.00 2j4oA1 LEU 285 HD13 0.04 0.03 -0.10 -0.04 0.93 0.86 2j4oA1 LEU 285 HD23 -0.01 -0.02 -0.17 -0.04 0.89 0.65 2j4oA1 VAL 286 H 0.00 0.77 0.41 -0.55 8.24 8.87 2j4oA1 VAL 286 HA 0.03 0.33 1.10 -0.75 4.13 4.84 2j4oA1 VAL 286 HB 0.03 -0.11 0.12 -0.04 2.12 2.12 2j4oA1 VAL 286 HG13 0.03 -0.01 -0.25 -0.04 0.97 0.69 2j4oA1 VAL 286 HG23 0.24 0.01 -0.18 -0.04 0.95 0.98 2j4oA1 LEU 287 H -0.04 0.71 0.35 -0.55 8.37 8.84 2j4oA1 LEU 287 HA 0.00 0.28 0.94 -0.75 4.35 4.83 2j4oA1 LEU 287 HB2 -0.02 -0.05 0.09 -0.04 1.64 1.61 2j4oA1 LEU 287 HB3 -0.01 -0.02 -0.03 -0.04 1.64 1.54 2j4oA1 LEU 287 HG -0.01 -0.02 -0.30 -0.04 1.64 1.27 2j4oA1 LEU 287 HD13 0.09 0.01 -0.25 -0.04 0.93 0.73 2j4oA1 LEU 287 HD23 0.03 0.03 -0.05 -0.04 0.89 0.87 2j4oA1 MET 288 H 0.03 0.62 0.32 -0.55 8.47 8.90 2j4oA1 MET 288 HA 0.01 0.30 0.97 -0.75 4.52 5.05 2j4oA1 MET 288 HB2 0.04 0.01 0.19 -0.04 2.15 2.36 2j4oA1 MET 288 HB3 0.03 0.03 -0.14 -0.04 2.03 1.90 2j4oA1 MET 288 HG2 0.07 0.02 -0.10 -0.04 2.63 2.58 2j4oA1 MET 288 HG3 0.21 -0.04 -0.20 -0.04 2.56 2.49 2j4oA1 MET 288 HE3 -0.03 -0.00 -0.19 -0.04 2.10 1.83 2j4oA1 SER 289 H 0.02 0.41 0.36 -0.55 8.46 8.70 2j4oA1 SER 289 HA 0.03 0.14 0.72 -0.75 4.49 4.64 2j4oA1 SER 289 HB2 0.02 -0.01 0.09 -0.04 3.95 4.02 2j4oA1 SER 289 HB3 0.04 0.11 0.06 -0.04 3.93 4.11 2j4oA1 GLU 290 H -0.04 0.16 0.14 -0.55 8.60 8.31 2j4oA1 GLU 290 HA -0.79 0.13 0.34 -0.75 4.29 3.21 2j4oA1 GLU 290 HB2 -0.07 0.01 0.02 -0.04 2.09 2.00 2j4oA1 GLU 290 HB3 -0.11 -0.00 0.09 -0.04 1.99 1.92 2j4oA1 GLU 290 HG2 -0.32 0.00 -0.14 -0.04 2.34 1.84 2j4oA1 GLU 290 HG3 -0.29 0.05 0.06 -0.04 2.34 2.12 2j4oA1 GLY 291 H -0.11 0.06 -0.22 -0.55 8.43 7.61 2j4oA1 GLY 291 HA2 -0.14 0.04 0.37 -0.51 4.01 3.77 2j4oA1 GLY 291 HA3 -0.07 0.35 0.22 -0.51 4.01 4.00 2j4oA1 LEU 292 H -0.11 0.15 -0.16 -0.55 8.37 7.70 2j4oA1 LEU 292 HA -0.10 0.15 0.40 -0.75 4.35 4.05 2j4oA1 LEU 292 HB2 -0.04 -0.15 0.15 -0.04 1.64 1.56 2j4oA1 LEU 292 HB3 0.01 0.04 0.15 -0.04 1.64 1.79 2j4oA1 LEU 292 HG 0.00 -0.01 -0.25 -0.04 1.64 1.33 2j4oA1 LEU 292 HD13 -0.07 0.01 -0.05 -0.04 0.93 0.78 2j4oA1 LEU 292 HD23 -0.01 0.00 -0.12 -0.04 0.89 0.72 2j4oA1 TYR 293 H -0.08 0.27 -0.07 -0.55 8.29 7.86 2j4oA1 TYR 293 HA -0.02 0.06 0.40 -0.75 4.56 4.25 2j4oA1 TYR 293 HB2 -0.01 -0.10 0.01 -0.04 3.06 2.92 2j4oA1 TYR 293 HB3 -0.02 0.01 -0.02 -0.04 2.98 2.91 2j4oA1 TYR 293 HD2 -0.01 -0.03 -0.25 -0.04 7.15 6.81 2j4oA1 TYR 293 HE2 -0.01 0.05 -0.06 -0.04 6.85 6.78 2j4oA1 LYS 294 H -0.44 0.55 -0.16 -0.55 8.42 7.82 2j4oA1 LYS 294 HA 0.06 -0.01 0.41 -0.75 4.32 4.04 2j4oA1 LYS 294 HB2 -0.20 0.10 0.12 -0.04 1.87 1.84 2j4oA1 LYS 294 HB3 -0.05 0.05 0.03 -0.04 1.79 1.78 2j4oA1 LYS 294 HG2 0.02 -0.06 0.02 -0.04 1.46 1.40 2j4oA1 LYS 294 HG3 -0.39 0.02 0.06 -0.04 1.46 1.12 2j4oA1 LYS 294 HD2 -0.08 -0.04 -0.02 -0.04 1.69 1.51 2j4oA1 LYS 294 HD3 -0.02 0.07 0.01 -0.04 1.68 1.70 2j4oA1 LYS 294 HE2 0.00 -0.08 0.00 -0.04 2.99 2.88 2j4oA1 LYS 294 HE3 0.00 0.04 -0.00 -0.04 2.99 2.99 2j4oA1 ALA 295 H -0.07 0.35 -0.52 -0.55 8.40 7.62 2j4oA1 ALA 295 HA 0.09 0.16 0.55 -0.75 4.34 4.38 2j4oA1 ALA 295 HB3 -0.19 0.03 0.09 -0.04 1.41 1.29 2j4oA1 LEU 296 H 0.01 0.31 -0.01 -0.55 8.37 8.12 2j4oA1 LEU 296 HA -0.07 0.11 0.44 -0.75 4.35 4.07 2j4oA1 LEU 296 HB2 0.03 0.04 0.17 -0.04 1.64 1.85 2j4oA1 LEU 296 HB3 0.04 -0.06 -0.05 -0.04 1.64 1.53 2j4oA1 LEU 296 HG -0.03 0.02 -0.01 -0.04 1.64 1.58 2j4oA1 LEU 296 HD13 0.05 -0.01 -0.10 -0.04 0.93 0.83 2j4oA1 LEU 296 HD23 -0.22 0.02 -0.01 -0.04 0.89 0.64 2j4oA1 GLU 297 H 0.07 0.55 -0.07 -0.55 8.60 8.60 2j4oA1 GLU 297 HA 0.06 0.15 0.31 -0.75 4.29 4.06 2j4oA1 GLU 297 HB2 0.07 0.11 -0.02 -0.04 2.09 2.22 2j4oA1 GLU 297 HB3 0.03 -0.05 -0.16 -0.04 1.99 1.77 2j4oA1 GLU 297 HG2 0.06 -0.14 0.00 -0.04 2.34 2.22 2j4oA1 GLU 297 HG3 0.13 0.29 0.08 -0.04 2.34 2.80 2j4oA1 ALA 298 H 0.07 0.26 -0.62 -0.55 8.40 7.57 2j4oA1 ALA 298 HA -0.00 0.00 0.44 -0.75 4.34 4.02 2j4oA1 ALA 298 HB3 0.17 0.09 0.14 -0.04 1.41 1.76 2j4oA1 ALA 299 H 0.06 0.26 -0.33 -0.55 8.40 7.85 2j4oA1 ALA 299 HA 0.09 0.15 0.56 -0.75 4.34 4.38 2j4oA1 ALA 299 HB3 -0.05 -0.02 0.00 -0.04 1.41 1.30 2j4oA1 HIS 300 H 0.08 0.80 0.16 -0.55 8.41 8.91 2j4oA1 HIS 300 HA 0.03 0.17 0.81 -0.75 4.63 4.88 2j4oA1 HIS 300 HB2 0.03 0.00 -0.03 -0.04 3.26 3.22 2j4oA1 HIS 300 HB3 0.02 -0.05 0.05 -0.04 3.20 3.17 2j4oA1 HIS 300 HD2 0.03 0.16 -0.32 -0.04 6.97 6.79 2j4oA1 HIS 300 HE1 0.02 -0.03 -0.05 -0.04 7.75 7.64 2j4oA1 GLY 301 H 0.06 0.41 -0.21 -0.55 8.43 8.15 2j4oA1 GLY 301 HA2 -0.04 0.08 0.35 -0.51 4.01 3.88 2j4oA1 GLY 301 HA3 0.01 0.15 0.74 -0.51 4.01 4.41 2j4oA1 PRO 302 HA -0.02 -0.09 0.40 -0.51 4.44 4.23 2j4oA1 PRO 302 HB2 -0.02 0.04 0.06 -0.04 2.28 2.31 2j4oA1 PRO 302 HB3 -0.03 0.00 0.08 -0.04 2.02 2.04 2j4oA1 PRO 302 HG2 -0.05 0.06 0.09 -0.04 2.03 2.08 2j4oA1 PRO 302 HG3 -0.08 0.06 0.11 -0.04 2.03 2.08 2j4oA1 PRO 302 HD2 -0.03 0.14 0.16 -0.04 3.68 3.91 2j4oA1 PRO 302 HD3 -0.08 0.18 0.24 -0.04 3.65 3.94 2j4oA1 GLY 303 H -0.01 0.10 0.16 -0.55 8.43 8.13 2j4oA1 GLY 303 HA2 -0.03 -0.05 0.34 -0.51 4.01 3.75 2j4oA1 GLY 303 HA3 -0.02 0.11 0.34 -0.51 4.01 3.93 2j4oA1 GLN 304 H 0.02 0.35 -0.38 -0.55 8.47 7.91 2j4oA1 GLN 304 HA 0.01 0.14 0.54 -0.75 4.36 4.30 2j4oA1 GLN 304 HB2 0.08 0.03 -0.12 -0.04 2.15 2.10 2j4oA1 GLN 304 HB3 0.07 -0.08 -0.04 -0.04 2.02 1.92 2j4oA1 GLN 304 HG2 0.02 0.26 -0.29 -0.04 2.40 2.35 2j4oA1 GLN 304 HG3 0.04 0.15 -0.13 -0.04 2.39 2.40 2j4oA1 GLN 304 HE21 -0.01 -0.08 -0.08 -0.04 6.97 6.76 2j4oA1 GLN 304 HE22 -0.00 0.37 -0.10 -0.04 7.69 7.92 2j4oA1 ALA 305 H 0.02 0.10 -0.14 -0.55 8.40 7.83 2j4oA1 ALA 305 HA 0.04 0.08 0.25 -0.75 4.34 3.96 2j4oA1 ALA 305 HB3 0.05 0.02 0.03 -0.04 1.41 1.47 2j4oA1 ASN 306 H -0.06 0.18 -0.15 -0.55 8.53 7.95 2j4oA1 ASN 306 HA -0.04 0.04 0.26 -0.75 4.76 4.26 2j4oA1 ASN 306 HB2 -0.07 0.05 0.05 -0.04 2.88 2.87 2j4oA1 ASN 306 HB3 -0.06 0.04 -0.10 -0.04 2.79 2.62 2j4oA1 ASN 306 HD21 -0.16 0.01 -0.03 -0.04 7.03 6.81 2j4oA1 ASN 306 HD22 -0.10 0.06 -0.02 -0.04 7.74 7.63 2j4oA1 GLN 307 H -0.02 0.19 -0.18 -0.55 8.47 7.91 2j4oA1 GLN 307 HA -0.01 0.05 0.33 -0.75 4.36 3.97 2j4oA1 GLN 307 HB2 -0.00 0.03 -0.00 -0.04 2.15 2.14 2j4oA1 GLN 307 HB3 -0.02 0.02 0.09 -0.04 2.02 2.06 2j4oA1 GLN 307 HG2 -0.01 -0.10 0.04 -0.04 2.40 2.29 2j4oA1 GLN 307 HG3 0.01 0.07 0.12 -0.04 2.39 2.55 2j4oA1 GLN 307 HE21 -0.01 0.00 0.01 -0.04 6.97 6.93 2j4oA1 GLN 307 HE22 -0.02 0.09 0.10 -0.04 7.69 7.82 2j4oA1 GLU 308 H 0.02 0.43 -0.14 -0.55 8.60 8.37 2j4oA1 GLU 308 HA 0.04 0.05 0.33 -0.75 4.29 3.96 2j4oA1 GLU 308 HB2 0.07 0.04 0.02 -0.04 2.09 2.18 2j4oA1 GLU 308 HB3 0.09 -0.02 -0.08 -0.04 1.99 1.93 2j4oA1 GLU 308 HG2 0.07 -0.02 -0.01 -0.04 2.34 2.34 2j4oA1 GLU 308 HG3 0.05 0.07 0.02 -0.04 2.34 2.44 2j4oA1 ILE 309 H 0.03 0.70 -0.09 -0.55 8.25 8.34 2j4oA1 ILE 309 HA 0.03 0.02 0.35 -0.75 4.18 3.83 2j4oA1 ILE 309 HB 0.03 0.14 0.07 -0.04 1.89 2.09 2j4oA1 ILE 309 HG12 0.02 -0.01 -0.06 -0.04 1.49 1.40 2j4oA1 ILE 309 HG13 0.03 -0.02 -0.02 -0.04 1.21 1.17 2j4oA1 ILE 309 HG23 0.04 -0.02 -0.24 -0.04 0.93 0.67 2j4oA1 ILE 309 HD13 0.06 -0.02 -0.15 -0.04 0.88 0.73 2j4oA1 ALA 310 H 0.04 0.61 -0.20 -0.55 8.40 8.31 2j4oA1 ALA 310 HA 0.19 -0.02 0.28 -0.75 4.34 4.05 2j4oA1 ALA 310 HB3 0.02 0.02 0.00 -0.04 1.41 1.42 2j4oA1 ALA 311 H 0.05 0.51 -0.28 -0.55 8.40 8.14 2j4oA1 ALA 311 HA 0.08 0.01 0.41 -0.75 4.34 4.08 2j4oA1 ALA 311 HB3 0.04 0.03 0.08 -0.04 1.41 1.52 2j4oA1 MET 312 H 0.05 0.63 -0.08 -0.55 8.47 8.53 2j4oA1 MET 312 HA 0.03 0.01 0.37 -0.75 4.52 4.18 2j4oA1 MET 312 HB2 0.02 0.07 0.14 -0.04 2.15 2.35 2j4oA1 MET 312 HB3 0.01 -0.07 -0.00 -0.04 2.03 1.93 2j4oA1 MET 312 HG2 0.03 -0.03 -0.01 -0.04 2.63 2.58 2j4oA1 MET 312 HG3 0.04 0.21 0.04 -0.04 2.56 2.81 2j4oA1 MET 312 HE3 0.01 -0.00 -0.09 -0.04 2.10 1.98 2j4oA1 ILE 313 H 0.06 0.59 -0.27 -0.55 8.25 8.08 2j4oA1 ILE 313 HA -0.05 -0.01 0.33 -0.75 4.18 3.69 2j4oA1 ILE 313 HB 0.10 0.13 0.05 -0.04 1.89 2.12 2j4oA1 ILE 313 HG12 -0.10 -0.06 -0.13 -0.04 1.49 1.16 2j4oA1 ILE 313 HG13 -0.01 0.04 -0.05 -0.04 1.21 1.15 2j4oA1 ILE 313 HG23 -0.49 -0.02 -0.28 -0.04 0.93 0.10 2j4oA1 ILE 313 HD13 0.08 -0.03 -0.20 -0.04 0.88 0.70 2j4oA1 ASP 314 H 0.14 0.53 -0.21 -0.55 8.40 8.32 2j4oA1 ASP 314 HA 0.26 0.00 0.33 -0.75 4.63 4.47 2j4oA1 ASP 314 HB2 0.18 0.11 0.14 -0.04 2.71 3.10 2j4oA1 ASP 314 HB3 0.13 0.09 0.15 -0.04 2.70 3.02 2j4oA1 THR 315 H 0.09 0.67 -0.14 -0.55 8.28 8.35 2j4oA1 THR 315 HA 0.07 0.01 0.35 -0.75 4.39 4.07 2j4oA1 THR 315 HB 0.04 0.15 0.18 -0.04 4.32 4.65 2j4oA1 THR 315 HG23 0.02 -0.03 -0.13 -0.04 1.22 1.05 2j4oA1 GLU 316 H 0.02 0.58 -0.09 -0.55 8.60 8.57 2j4oA1 GLU 316 HA -0.02 -0.04 0.35 -0.75 4.29 3.83 2j4oA1 GLU 316 HB2 -0.09 0.10 0.09 -0.04 2.09 2.14 2j4oA1 GLU 316 HB3 -0.11 -0.13 0.08 -0.04 1.99 1.79 2j4oA1 GLU 316 HG2 -0.03 0.27 0.05 -0.04 2.34 2.60 2j4oA1 GLU 316 HG3 -0.06 -0.07 -0.04 -0.04 2.34 2.13 2j4oA1 PHE 317 H 0.18 0.50 -0.49 -0.55 8.34 7.98 2j4oA1 PHE 317 HA -0.07 -0.09 0.34 -0.75 4.62 4.04 2j4oA1 PHE 317 HB2 0.06 0.23 0.17 -0.04 3.15 3.57 2j4oA1 PHE 317 HB3 0.00 0.10 -0.04 -0.04 3.06 3.08 2j4oA1 PHE 317 HD2 -0.21 0.20 -0.15 -0.04 7.28 7.09 2j4oA1 PHE 317 HE2 -0.58 -0.02 -0.21 -0.04 7.38 6.52 2j4oA1 PHE 317 HZ -0.17 -0.10 -0.15 -0.04 7.32 6.85 2j4oA1 ALA 318 H 0.09 0.48 -0.29 -0.55 8.40 8.14 2j4oA1 ALA 318 HA 0.03 0.06 0.57 -0.75 4.34 4.25 2j4oA1 ALA 318 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 2j4oA1 LYS 319 H -0.00 0.12 -0.12 -0.55 8.42 7.87 2j4oA1 LYS 319 HA -0.01 0.14 0.67 -0.75 4.32 4.37 2j4oA1 LYS 319 HB2 -0.03 -0.07 0.12 -0.04 1.87 1.84 2j4oA1 LYS 319 HB3 -0.02 -0.05 -0.01 -0.04 1.79 1.67 2j4oA1 LYS 319 HG2 -0.01 0.01 -0.05 -0.04 1.46 1.37 2j4oA1 LYS 319 HG3 -0.00 0.09 -0.00 -0.04 1.46 1.51 2j4oA1 LYS 319 HD2 -0.02 -0.04 -0.04 -0.04 1.69 1.56 2j4oA1 LYS 319 HD3 -0.01 -0.02 -0.04 -0.04 1.68 1.57 2j4oA1 LYS 319 HE2 0.00 -0.00 -0.05 -0.04 2.99 2.89 2j4oA1 LYS 319 HE3 0.00 0.03 -0.11 -0.04 2.99 2.87 2j4oA1 GLN 320 H -0.07 0.39 0.10 -0.55 8.47 8.35 2j4oA1 GLN 320 HA -0.06 -0.01 0.34 -0.75 4.36 3.88 2j4oA1 GLN 320 HB2 -0.17 0.13 -0.01 -0.04 2.15 2.06 2j4oA1 GLN 320 HB3 -0.12 -0.26 0.04 -0.04 2.02 1.63 2j4oA1 GLN 320 HG2 -0.09 0.13 0.08 -0.04 2.40 2.48 2j4oA1 GLN 320 HG3 -0.13 -0.05 -0.43 -0.04 2.39 1.74 2j4oA1 GLN 320 HE21 -0.04 0.01 -0.05 -0.04 6.97 6.84 2j4oA1 GLN 320 HE22 -0.05 0.01 -0.02 -0.04 7.69 7.58 2j4oA1 THR 321 H -0.06 -0.01 0.14 -0.55 8.28 7.79 2j4oA1 THR 321 HA -0.05 0.45 0.95 -0.75 4.39 4.98 2j4oA1 THR 321 HB -0.03 0.00 0.18 -0.04 4.32 4.44 2j4oA1 THR 321 HG23 -0.03 0.05 -0.04 -0.04 1.22 1.16 2j4oA1 SER 322 H -0.11 0.15 0.00 -0.55 8.46 7.95 2j4oA1 SER 322 HA -0.08 0.28 0.56 -0.75 4.49 4.49 2j4oA1 SER 322 HB2 -0.07 0.01 0.18 -0.04 3.95 4.03 2j4oA1 SER 322 HB3 -0.06 0.22 -0.09 -0.04 3.93 3.96 2j4oA1 LEU 323 H -0.13 0.31 0.11 -0.55 8.37 8.11 2j4oA1 LEU 323 HA -0.36 0.16 0.39 -0.75 4.35 3.78 2j4oA1 LEU 323 HB2 -0.17 0.09 -0.22 -0.04 1.64 1.31 2j4oA1 LEU 323 HB3 -0.24 0.00 -0.06 -0.04 1.64 1.30 2j4oA1 LEU 323 HG -0.13 0.02 -0.06 -0.04 1.64 1.42 2j4oA1 LEU 323 HD13 -0.12 0.06 -0.29 -0.04 0.93 0.54 2j4oA1 LEU 323 HD23 -0.23 0.02 -0.14 -0.04 0.89 0.50 2j4oA1 ASP 324 H -0.14 0.12 -0.12 -0.55 8.40 7.71 2j4oA1 ASP 324 HA -0.19 0.05 0.46 -0.75 4.63 4.20 2j4oA1 ASP 324 HB2 -0.10 -0.02 0.10 -0.04 2.71 2.65 2j4oA1 ASP 324 HB3 -0.12 0.13 0.09 -0.04 2.70 2.76 2j4oA1 ALA 325 H -0.13 0.05 -0.26 -0.55 8.40 7.53 2j4oA1 ALA 325 HA -0.10 0.08 0.36 -0.75 4.34 3.92 2j4oA1 ALA 325 HB3 -0.09 0.03 0.08 -0.04 1.41 1.39 2j4oA1 VAL 326 H -0.22 0.49 -0.24 -0.55 8.24 7.73 2j4oA1 VAL 326 HA -0.21 0.05 0.29 -0.75 4.13 3.50 2j4oA1 VAL 326 HB -0.42 0.05 0.09 -0.04 2.12 1.80 2j4oA1 VAL 326 HG13 -0.53 -0.01 -0.23 -0.04 0.97 0.15 2j4oA1 VAL 326 HG23 -0.57 0.11 -0.13 -0.04 0.95 0.32 2j4oA1 ALA 327 H -0.23 0.62 -0.22 -0.55 8.40 8.01 2j4oA1 ALA 327 HA -0.16 -0.01 0.21 -0.75 4.34 3.62 2j4oA1 ALA 327 HB3 -0.20 0.03 -0.15 -0.04 1.41 1.05 2j4oA1 GLN 328 H -0.14 0.76 -0.18 -0.55 8.47 8.37 2j4oA1 GLN 328 HA -0.09 -0.08 0.52 -0.75 4.36 3.96 2j4oA1 GLN 328 HB2 -0.10 0.08 0.18 -0.04 2.15 2.27 2j4oA1 GLN 328 HB3 -0.08 0.04 0.11 -0.04 2.02 2.05 2j4oA1 GLN 328 HG2 -0.05 0.02 0.02 -0.04 2.40 2.35 2j4oA1 GLN 328 HG3 -0.05 -0.03 -0.06 -0.04 2.39 2.22 2j4oA1 GLN 328 HE21 -0.03 0.51 0.16 -0.04 6.97 7.57 2j4oA1 GLN 328 HE22 -0.03 -0.05 0.04 -0.04 7.69 7.62 2j4oA1 ALA 329 H -0.10 0.85 -0.08 -0.55 8.40 8.52 2j4oA1 ALA 329 HA -0.05 -0.01 0.41 -0.75 4.34 3.94 2j4oA1 ALA 329 HB3 -0.07 0.02 0.10 -0.04 1.41 1.43 2j4oA1 VAL 330 H -0.08 0.55 -0.22 -0.55 8.24 7.93 2j4oA1 VAL 330 HA -0.04 0.03 0.34 -0.75 4.13 3.70 2j4oA1 VAL 330 HB -0.07 0.11 0.04 -0.04 2.12 2.16 2j4oA1 VAL 330 HG13 -0.02 -0.03 -0.16 -0.04 0.97 0.73 2j4oA1 VAL 330 HG23 -0.06 0.05 -0.18 -0.04 0.95 0.71 2j4oA1 VAL 331 H -0.07 0.52 -0.17 -0.55 8.24 7.97 2j4oA1 VAL 331 HA -0.06 -0.04 0.24 -0.75 4.13 3.51 2j4oA1 VAL 331 HB -0.06 0.11 0.05 -0.04 2.12 2.17 2j4oA1 VAL 331 HG13 -0.06 -0.03 -0.33 -0.04 0.97 0.51 2j4oA1 VAL 331 HG23 -0.07 0.05 -0.24 -0.04 0.95 0.65 2j4oA1 ASP 332 H -0.04 0.73 -0.19 -0.55 8.40 8.35 2j4oA1 ASP 332 HA -0.02 -0.02 0.36 -0.75 4.63 4.19 2j4oA1 ASP 332 HB2 -0.03 0.13 0.15 -0.04 2.71 2.92 2j4oA1 ASP 332 HB3 -0.01 -0.06 -0.00 -0.04 2.70 2.59 2j4oA1 ARG 333 H -0.03 0.66 -0.17 -0.55 8.46 8.37 2j4oA1 ARG 333 HA -0.00 -0.01 0.41 -0.75 4.34 3.98 2j4oA1 ARG 333 HB2 -0.02 0.20 0.15 -0.04 1.90 2.19 2j4oA1 ARG 333 HB3 -0.01 0.01 0.09 -0.04 1.80 1.84 2j4oA1 ARG 333 HG2 0.01 -0.04 -0.02 -0.04 1.67 1.57 2j4oA1 ARG 333 HG3 0.00 -0.02 0.03 -0.04 1.67 1.65 2j4oA1 ARG 333 HD2 0.00 -0.00 -0.03 -0.04 3.22 3.15 2j4oA1 ARG 333 HD3 -0.00 0.01 -0.03 -0.04 3.22 3.15 2j4oA1 VAL 334 H -0.04 0.62 -0.14 -0.55 8.24 8.13 2j4oA1 VAL 334 HA -0.04 -0.02 0.29 -0.75 4.13 3.60 2j4oA1 VAL 334 HB -0.08 0.13 0.08 -0.04 2.12 2.21 2j4oA1 VAL 334 HG13 -0.08 -0.01 -0.09 -0.04 0.97 0.75 2j4oA1 VAL 334 HG23 -0.03 0.03 -0.02 -0.04 0.95 0.88 2j4oA1 LYS 335 H -0.06 0.47 -0.24 -0.55 8.42 8.04 2j4oA1 LYS 335 HA -0.09 0.07 0.52 -0.75 4.32 4.07 2j4oA1 LYS 335 HB2 0.05 -0.02 -0.04 -0.04 1.87 1.82 2j4oA1 LYS 335 HB3 -0.21 -0.01 -0.01 -0.04 1.79 1.52 2j4oA1 LYS 335 HG2 -0.06 0.36 0.10 -0.04 1.46 1.82 2j4oA1 LYS 335 HG3 -0.00 0.08 0.08 -0.04 1.46 1.57 2j4oA1 LYS 335 HD2 -0.04 -0.04 -0.13 -0.04 1.69 1.44 2j4oA1 LYS 335 HD3 -0.01 -0.05 -0.14 -0.04 1.68 1.44 2j4oA1 LYS 335 HE2 0.07 0.01 -0.07 -0.04 2.99 2.96 2j4oA1 LYS 335 HE3 0.13 0.03 -0.08 -0.04 2.99 3.03 2j4oA1 ARG 336 H 0.01 0.54 -0.14 -0.55 8.46 8.31 2j4oA1 ARG 336 HA 0.05 0.03 0.49 -0.75 4.34 4.16 2j4oA1 ARG 336 HB2 0.02 0.04 0.10 -0.04 1.90 2.01 2j4oA1 ARG 336 HB3 0.02 0.07 0.13 -0.04 1.80 1.98 2j4oA1 ARG 336 HG2 0.02 -0.01 -0.13 -0.04 1.67 1.51 2j4oA1 ARG 336 HG3 0.02 -0.04 0.04 -0.04 1.67 1.65 2j4oA1 ARG 336 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.17 2j4oA1 ARG 336 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 2j4oA1 ILE 337 H 0.01 0.62 -0.06 -0.55 8.25 8.27 2j4oA1 ILE 337 HA 0.03 -0.01 0.35 -0.75 4.18 3.79 2j4oA1 ILE 337 HB -0.05 0.11 0.13 -0.04 1.89 2.04 2j4oA1 ILE 337 HG12 0.05 -0.04 0.01 -0.04 1.49 1.47 2j4oA1 ILE 337 HG13 0.01 0.13 0.06 -0.04 1.21 1.36 2j4oA1 ILE 337 HG23 -0.24 -0.01 -0.16 -0.04 0.93 0.48 2j4oA1 ILE 337 HD13 -0.00 -0.03 -0.10 -0.04 0.88 0.71 2j4oA1 HIS 338 H 0.11 0.47 -0.28 -0.55 8.41 8.18 2j4oA1 HIS 338 HA 0.06 0.03 0.34 -0.75 4.63 4.31 2j4oA1 HIS 338 HB2 -0.01 0.02 0.05 -0.04 3.26 3.27 2j4oA1 HIS 338 HB3 0.08 0.03 0.10 -0.04 3.20 3.37 2j4oA1 HIS 338 HD2 0.06 0.11 0.08 -0.04 6.97 7.17 2j4oA1 HIS 338 HE1 0.13 -0.03 -0.40 -0.04 7.75 7.41 2j4oA1 SER 339 H 0.19 0.70 -0.10 -0.55 8.46 8.71 2j4oA1 SER 339 HA -0.29 0.04 0.39 -0.75 4.49 3.87 2j4oA1 SER 339 HB2 0.15 0.04 0.11 -0.04 3.95 4.21 2j4oA1 SER 339 HB3 0.03 0.00 0.17 -0.04 3.93 4.08 2j4oA1 ASP 340 H 0.02 0.99 -0.06 -0.55 8.40 8.80 2j4oA1 ASP 340 HA -0.02 -0.02 0.40 -0.75 4.63 4.24 2j4oA1 ASP 340 HB2 0.02 0.14 0.14 -0.04 2.71 2.97 2j4oA1 ASP 340 HB3 0.01 -0.08 -0.05 -0.04 2.70 2.54 2j4oA1 THR 341 H 0.01 0.66 -0.14 -0.55 8.28 8.26 2j4oA1 THR 341 HA 0.01 -0.11 0.26 -0.75 4.39 3.80 2j4oA1 THR 341 HB -0.04 0.17 0.09 -0.04 4.32 4.49 2j4oA1 THR 341 HG23 0.05 -0.01 -0.28 -0.04 1.22 0.94 2j4oA1 PHE 342 H 0.04 0.47 -0.30 -0.55 8.34 7.99 2j4oA1 PHE 342 HA -0.07 -0.04 0.42 -0.75 4.62 4.18 2j4oA1 PHE 342 HB2 -0.05 0.19 0.14 -0.04 3.15 3.38 2j4oA1 PHE 342 HB3 -0.35 0.01 0.15 -0.04 3.06 2.83 2j4oA1 PHE 342 HD2 -0.11 0.05 -0.18 -0.04 7.28 7.00 2j4oA1 PHE 342 HE2 0.04 -0.04 -0.07 -0.04 7.38 7.27 2j4oA1 PHE 342 HZ 0.06 -0.04 -0.06 -0.04 7.32 7.25 2j4oA1 ALA 343 H -0.01 0.58 -0.05 -0.55 8.40 8.38 2j4oA1 ALA 343 HA -0.15 -0.04 0.36 -0.75 4.34 3.76 2j4oA1 ALA 343 HB3 -0.05 -0.05 0.10 -0.04 1.41 1.37 2j4oA1 SER 344 H -0.06 0.71 -0.16 -0.55 8.46 8.40 2j4oA1 SER 344 HA -0.06 -0.03 0.44 -0.75 4.49 4.08 2j4oA1 SER 344 HB2 -0.04 -0.11 0.17 -0.04 3.95 3.93 2j4oA1 SER 344 HB3 -0.03 0.02 0.09 -0.04 3.93 3.97 2j4oA1 GLY 345 H -0.06 -0.36 0.19 -0.55 8.43 7.65 2j4oA1 GLY 345 HA2 -0.14 0.18 0.30 -0.51 4.01 3.83 2j4oA1 GLY 345 HA3 -0.11 0.08 0.42 -0.51 4.01 3.89 2j4oA1 GLY 346 H -0.04 -0.13 0.17 -0.55 8.43 7.88 2j4oA1 GLY 346 HA2 -0.03 0.08 0.49 -0.51 4.01 4.04 2j4oA1 GLY 346 HA3 -0.01 0.03 0.41 -0.51 4.01 3.93 2j4oA1 GLU 347 H -0.04 0.33 0.32 -0.55 8.60 8.67 2j4oA1 GLU 347 HA -0.06 0.05 0.43 -0.75 4.29 3.95 2j4oA1 GLU 347 HB2 0.01 -0.01 0.04 -0.04 2.09 2.10 2j4oA1 GLU 347 HB3 0.04 0.12 -0.09 -0.04 1.99 2.01 2j4oA1 GLU 347 HG2 0.11 0.01 0.04 -0.04 2.34 2.45 2j4oA1 GLU 347 HG3 0.15 0.06 0.02 -0.04 2.34 2.53 2j4oA1 ARG 348 H 0.09 0.26 0.35 -0.55 8.46 8.61 2j4oA1 ARG 348 HA 0.37 -0.02 0.31 -0.75 4.34 4.24 2j4oA1 ARG 348 HB2 0.12 0.02 0.08 -0.04 1.90 2.07 2j4oA1 ARG 348 HB3 0.23 0.17 0.17 -0.04 1.80 2.33 2j4oA1 ARG 348 HG2 0.20 -0.17 0.18 -0.04 1.67 1.84 2j4oA1 ARG 348 HG3 0.12 0.00 0.14 -0.04 1.67 1.89 2j4oA1 ARG 348 HD2 0.12 -0.11 -0.05 -0.04 3.22 3.14 2j4oA1 ARG 348 HD3 0.14 0.34 -0.04 -0.04 3.22 3.62 2j4oA1 ALA 349 H -0.03 0.04 -1.03 -0.55 8.40 6.84 2j4oA1 ALA 349 HA 0.04 0.07 0.07 -0.75 4.34 3.78 2j4oA1 ALA 349 HB3 -0.14 0.03 -0.06 -0.04 1.41 1.20 2j4oA1 ARG 350 H -0.19 0.49 -0.09 -0.55 8.46 8.11 2j4oA1 ARG 350 HA -0.03 0.04 0.32 -0.75 4.34 3.93 2j4oA1 ARG 350 HB2 -0.24 -0.05 0.05 -0.04 1.90 1.62 2j4oA1 ARG 350 HB3 -0.20 -0.02 0.10 -0.04 1.80 1.63 2j4oA1 ARG 350 HG2 -0.57 0.28 -0.06 -0.04 1.67 1.28 2j4oA1 ARG 350 HG3 -1.52 0.03 -0.24 -0.04 1.67 -0.10 2j4oA1 ARG 350 HD2 -0.61 -0.05 -0.08 -0.04 3.22 2.43 2j4oA1 ARG 350 HD3 -0.46 -0.03 -0.07 -0.04 3.22 2.63 2j4oA1 PHE 351 H -0.09 0.47 -0.59 -0.55 8.34 7.57 2j4oA1 PHE 351 HA 0.07 0.03 0.69 -0.75 4.62 4.65 2j4oA1 PHE 351 HB2 0.05 0.37 0.16 -0.04 3.15 3.68 2j4oA1 PHE 351 HB3 0.06 -0.12 0.20 -0.04 3.06 3.15 2j4oA1 PHE 351 HD2 0.04 0.05 0.04 -0.04 7.28 7.37 2j4oA1 PHE 351 HE2 0.03 -0.05 -0.05 -0.04 7.38 7.27 2j4oA1 PHE 351 HZ 0.02 -0.05 -0.04 -0.04 7.32 7.22 2j4oA1 CYS 352 H 0.18 0.60 -0.26 -0.55 8.50 8.48 2j4oA1 CYS 352 HA 0.18 0.18 1.02 -0.75 4.58 5.21 2j4oA1 CYS 352 HB2 -0.02 0.02 0.09 -0.04 2.97 3.02 2j4oA1 CYS 352 HB3 -1.16 -0.08 0.09 -0.04 2.97 1.78 2j4oA1 PRO 353 HA -0.41 0.13 0.54 -0.51 4.44 4.19 2j4oA1 PRO 353 HB2 -0.01 -0.06 0.04 -0.04 2.28 2.21 2j4oA1 PRO 353 HB3 0.15 0.04 0.08 -0.04 2.02 2.26 2j4oA1 PRO 353 HG2 0.04 -0.06 -0.00 -0.04 2.03 1.97 2j4oA1 PRO 353 HG3 0.08 0.02 0.02 -0.04 2.03 2.12 2j4oA1 PRO 353 HD2 0.15 0.24 -0.34 -0.04 3.68 3.69 2j4oA1 PRO 353 HD3 0.15 0.30 -0.31 -0.04 3.65 3.75 2j4oA1 ARG 354 H 0.07 0.37 -0.17 -0.55 8.46 8.17 2j4oA1 ARG 354 HA -0.61 0.06 0.66 -0.75 4.34 3.69 2j4oA1 ARG 354 HB2 -0.28 0.10 0.27 -0.04 1.90 1.94 2j4oA1 ARG 354 HB3 -0.20 0.02 -0.15 -0.04 1.80 1.43 2j4oA1 ARG 354 HG2 -0.03 -0.00 -0.13 -0.04 1.67 1.46 2j4oA1 ARG 354 HG3 -0.08 -0.04 -0.33 -0.04 1.67 1.18 2j4oA1 ARG 354 HD2 -0.02 -0.03 -0.10 -0.04 3.22 3.02 2j4oA1 ARG 354 HD3 -0.07 -0.04 -0.09 -0.04 3.22 2.97 2j4oA1 HIS 355 H -0.53 0.73 0.43 -0.55 8.41 8.50 2j4oA1 HIS 355 HA -0.18 0.11 0.59 -0.75 4.63 4.40 2j4oA1 HIS 355 HB2 -0.39 -0.05 0.14 -0.04 3.26 2.92 2j4oA1 HIS 355 HB3 -1.04 0.12 -0.14 -0.04 3.20 2.10 2j4oA1 HIS 355 HD2 -0.29 0.04 -0.14 -0.04 6.97 6.53 2j4oA1 HIS 355 HE1 -0.12 0.15 -0.26 -0.04 7.75 7.48 2j4oA1 GLU 356 H 0.02 0.16 0.14 -0.55 8.60 8.37 2j4oA1 GLU 356 HA -0.05 0.12 0.86 -0.75 4.29 4.47 2j4oA1 GLU 356 HB2 -0.02 0.03 0.14 -0.04 2.09 2.19 2j4oA1 GLU 356 HB3 0.00 -0.04 0.16 -0.04 1.99 2.07 2j4oA1 GLU 356 HG2 0.00 0.08 -0.06 -0.04 2.34 2.32 2j4oA1 GLU 356 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 2j4oA1 ASP 357 H 0.03 0.06 0.21 -0.55 8.40 8.15 2j4oA1 ASP 357 HA 0.03 0.18 0.44 -0.75 4.63 4.53 2j4oA1 ASP 357 HB2 0.06 -0.05 0.14 -0.04 2.71 2.82 2j4oA1 ASP 357 HB3 0.06 0.07 0.15 -0.04 2.70 2.94 2j4oA1 MET 358 H 0.03 0.81 0.39 -0.55 8.47 9.15 2j4oA1 MET 358 HA -0.02 -0.02 0.97 -0.75 4.52 4.69 2j4oA1 MET 358 HB2 -0.04 -0.02 0.02 -0.04 2.15 2.06 2j4oA1 MET 358 HB3 -0.06 -0.05 -0.05 -0.04 2.03 1.82 2j4oA1 MET 358 HG2 -0.12 -0.01 -0.52 -0.04 2.63 1.94 2j4oA1 MET 358 HG3 -0.06 0.19 -0.34 -0.04 2.56 2.32 2j4oA1 MET 358 HE3 -0.86 0.02 -0.14 -0.04 2.10 1.08 2j4oA1 THR 359 H -0.00 0.10 0.26 -0.55 8.28 8.08 2j4oA1 THR 359 HA -0.01 0.36 1.06 -0.75 4.39 5.04 2j4oA1 THR 359 HB 0.07 -0.13 0.08 -0.04 4.32 4.29 2j4oA1 THR 359 HG23 0.09 0.04 -0.11 -0.04 1.22 1.20 2j4oA1 LEU 360 H -0.13 0.75 0.33 -0.55 8.37 8.77 2j4oA1 LEU 360 HA -0.06 0.23 1.12 -0.75 4.35 4.88 2j4oA1 LEU 360 HB2 -0.06 -0.05 -0.12 -0.04 1.64 1.38 2j4oA1 LEU 360 HB3 -0.10 0.02 0.12 -0.04 1.64 1.63 2j4oA1 LEU 360 HG -0.10 0.01 -0.30 -0.04 1.64 1.21 2j4oA1 LEU 360 HD13 -0.02 0.02 -0.03 -0.04 0.93 0.87 2j4oA1 LEU 360 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.74 2j4oA1 LEU 361 H -0.09 0.71 0.40 -0.55 8.37 8.85 2j4oA1 LEU 361 HA -0.26 0.28 1.14 -0.75 4.35 4.76 2j4oA1 LEU 361 HB2 -0.15 -0.05 0.02 -0.04 1.64 1.41 2j4oA1 LEU 361 HB3 -0.08 -0.06 0.13 -0.04 1.64 1.59 2j4oA1 LEU 361 HG -0.19 0.09 -0.03 -0.04 1.64 1.47 2j4oA1 LEU 361 HD13 0.11 -0.02 -0.03 -0.04 0.93 0.95 2j4oA1 LEU 361 HD23 -0.24 -0.01 -0.40 -0.04 0.89 0.20 2j4oA1 VAL 362 H -0.22 0.68 0.37 -0.55 8.24 8.52 2j4oA1 VAL 362 HA -0.10 0.37 1.15 -0.75 4.13 4.79 2j4oA1 VAL 362 HB -0.22 -0.05 0.09 -0.04 2.12 1.90 2j4oA1 VAL 362 HG13 -0.12 0.01 -0.24 -0.04 0.97 0.57 2j4oA1 VAL 362 HG23 -0.14 -0.01 -0.25 -0.04 0.95 0.51 2j4oA1 ARG 363 H -0.22 0.66 0.31 -0.55 8.46 8.66 2j4oA1 ARG 363 HA -0.41 0.20 1.01 -0.75 4.34 4.38 2j4oA1 ARG 363 HB2 -0.91 -0.04 -0.04 -0.04 1.90 0.87 2j4oA1 ARG 363 HB3 -0.51 -0.06 0.13 -0.04 1.80 1.32 2j4oA1 ARG 363 HG2 -0.69 -0.06 -0.12 -0.04 1.67 0.77 2j4oA1 ARG 363 HG3 -1.03 -0.03 -0.21 -0.04 1.67 0.36 2j4oA1 ARG 363 HD2 -0.62 0.25 -0.09 -0.04 3.22 2.72 2j4oA1 ARG 363 HD3 -0.48 0.06 -0.02 -0.04 3.22 2.73 2j4oA1 ASN 364 H -0.29 0.70 0.33 -0.55 8.53 8.73 2j4oA1 ASN 364 HA -0.11 0.09 0.82 -0.75 4.76 4.80 2j4oA1 ASN 364 HB2 0.04 -0.03 0.02 -0.04 2.88 2.87 2j4oA1 ASN 364 HB3 -0.07 0.01 0.13 -0.04 2.79 2.82 2j4oA1 ASN 364 HD21 0.19 0.56 -0.05 -0.04 7.03 7.69 2j4oA1 ASN 364 HD22 0.10 -0.05 -0.05 -0.04 7.74 7.70 2j4oA1 PHE 365 H 0.04 0.69 0.40 -0.55 8.34 8.92 2j4oA1 PHE 365 HA -0.02 0.17 0.95 -0.75 4.62 4.96 2j4oA1 PHE 365 HB2 -0.04 -0.02 -0.10 -0.04 3.15 2.95 2j4oA1 PHE 365 HB3 -0.03 0.12 0.05 -0.04 3.06 3.16 2j4oA1 PHE 365 HD2 -0.07 -0.00 -0.20 -0.04 7.28 6.96 2j4oA1 PHE 365 HE2 -0.08 -0.05 -0.18 -0.04 7.38 7.03 2j4oA1 PHE 365 HZ -0.05 -0.05 -0.18 -0.04 7.32 6.99 2j4oA1 GLY 366 H 0.09 0.18 -0.09 -0.55 8.43 8.06 2j4oA1 GLY 366 HA2 0.07 0.03 0.29 -0.51 4.01 3.88 2j4oA1 GLY 366 HA3 0.09 0.10 0.43 -0.51 4.01 4.12 2j4oA1 TYR 367 H 0.17 -0.04 -0.38 -0.55 8.29 7.49 2j4oA1 TYR 367 HA -0.09 0.10 0.43 -0.75 4.56 4.25 2j4oA1 TYR 367 HB2 -0.13 0.01 0.02 -0.04 3.06 2.92 2j4oA1 TYR 367 HB3 -0.62 -0.02 -0.09 -0.04 2.98 2.21 2j4oA1 TYR 367 HD2 -1.29 -0.01 -0.11 -0.04 7.15 5.71 2j4oA1 TYR 367 HE2 -0.17 -0.00 -0.03 -0.04 6.85 6.60 2j4oA1 PRO 368 HA -0.03 0.02 0.43 -0.51 4.44 4.35 2j4oA1 PRO 368 HB2 -0.23 0.01 -0.02 -0.04 2.28 2.00 2j4oA1 PRO 368 HB3 -0.10 0.06 0.02 -0.04 2.02 1.96 2j4oA1 PRO 368 HG2 -0.21 -0.01 0.06 -0.04 2.03 1.83 2j4oA1 PRO 368 HG3 -0.11 0.07 0.07 -0.04 2.03 2.01 2j4oA1 PRO 368 HD2 -1.02 0.05 0.16 -0.04 3.68 2.84 2j4oA1 PRO 368 HD3 -0.24 0.13 0.26 -0.04 3.65 3.76 2j4oA1 LEU 369 H 0.04 0.14 0.08 -0.55 8.37 8.08 2j4oA1 LEU 369 HA 0.22 0.29 0.90 -0.75 4.35 5.01 2j4oA1 LEU 369 HB2 0.18 -0.06 -0.14 -0.04 1.64 1.58 2j4oA1 LEU 369 HB3 0.05 -0.05 0.11 -0.04 1.64 1.71 2j4oA1 LEU 369 HG -0.03 0.20 -0.31 -0.04 1.64 1.46 2j4oA1 LEU 369 HD13 -0.24 0.00 -0.23 -0.04 0.93 0.42 2j4oA1 LEU 369 HD23 -0.05 -0.08 -0.24 -0.04 0.89 0.48 2j4oA1 GLY 370 H 0.04 0.54 0.17 -0.55 8.43 8.64 2j4oA1 GLY 370 HA2 -0.00 0.06 0.25 -0.51 4.01 3.80 2j4oA1 GLY 370 HA3 -0.01 0.07 0.01 -0.51 4.01 3.57