#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj s ARG 4 N 0.00 3.61 0.47 -2.82 0.52 -1.26 -4.99 118.95 114.49 2wbj s ARG 4 Ca 0.00 2.23 -0.24 0.00 -0.52 0.00 0.00 55.73 57.20 2wbj s ARG 4 Cb 0.00 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 2wbj s ARG 4 CO 0.00 -0.81 1.32 -1.25 0.02 0.00 0.00 175.30 174.58 2wbj s PRO 5 N -2.55 3.59 0.15 3.54 0.04 -1.26 -5.04 135.00 133.47 2wbj s PRO 5 Ca 0.63 2.16 0.11 0.00 0.04 0.00 0.00 61.00 63.94 2wbj s PRO 5 Cb -0.40 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2wbj s PRO 5 CO 0.50 -0.81 -0.24 1.03 0.04 0.00 0.00 177.00 177.52 2wbj s ARG 6 N -2.60 1.54 -0.03 4.56 1.81 -1.26 -5.14 118.95 117.84 2wbj s ARG 6 Ca 0.64 -1.36 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 2wbj s ARG 6 Cb -0.38 -1.94 0.02 0.00 -0.45 0.00 0.00 34.95 32.20 2wbj s ARG 6 CO 0.47 0.44 -0.03 -0.06 -0.68 0.00 0.00 175.30 175.45 2wbj s PHE 7 N -1.28 0.46 0.03 -0.53 0.08 -1.26 -5.07 117.98 110.40 2wbj s PHE 7 Ca 0.17 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.18 2wbj s PHE 7 Cb -0.09 -0.43 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2wbj s PHE 7 CO 0.08 -0.11 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.81 2wbj s LEU 8 N 0.64 2.15 -0.13 -0.37 2.96 -1.26 -5.02 118.68 117.65 2wbj s LEU 8 Ca -0.07 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2wbj s LEU 8 Cb -0.10 -0.49 0.06 0.00 0.50 0.00 0.00 46.19 46.15 2wbj s LEU 8 CO -0.01 0.01 0.11 0.86 -1.32 0.00 0.00 176.35 176.01 2wbj s TRP 9 N -0.77 0.04 -0.36 5.38 -0.11 -1.26 -1.09 118.94 120.76 2wbj s TRP 9 Ca 0.00 0.04 -0.01 0.00 1.22 0.00 0.00 56.10 57.36 2wbj s TRP 9 Cb -0.07 -0.53 0.09 0.00 -1.50 0.00 0.00 33.47 31.46 2wbj s TRP 9 CO 0.01 -0.41 0.11 -0.65 -4.62 0.00 0.00 176.95 171.39 2wbj s GLN 10 N 2.20 1.98 0.08 5.86 -0.21 -0.25 -4.96 119.66 124.35 2wbj s GLN 10 Ca 0.04 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 53.42 2wbj s GLN 10 Cb -0.14 -3.38 -0.05 0.00 1.00 0.00 0.00 33.01 30.43 2wbj s GLN 10 CO -0.07 -0.92 1.07 -2.14 -2.12 0.00 0.00 175.29 171.10 2wbj s PRO 11 N 1.11 4.55 -0.15 2.91 0.02 -1.26 -0.52 135.00 141.66 2wbj s PRO 11 Ca 0.05 1.60 0.01 0.00 0.02 0.00 0.00 61.00 62.68 2wbj s PRO 11 Cb -0.21 -3.37 0.02 0.00 0.02 0.00 0.00 34.50 30.96 2wbj s PRO 11 CO -0.04 -0.04 -0.17 0.15 -0.33 0.00 0.00 177.00 176.57 2wbj s LYS 12 N 0.54 2.53 -0.41 5.54 1.02 0.20 -5.00 119.74 124.16 2wbj s LYS 12 Ca 0.53 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 2wbj s LYS 12 Cb -0.26 -2.22 0.09 0.00 -0.52 0.00 0.00 37.83 34.93 2wbj s LYS 12 CO 0.30 -0.18 0.22 1.03 -0.92 0.00 0.00 175.35 175.80 2wbj s ARG 13 N 1.29 2.36 -0.04 1.68 3.00 -1.26 -0.31 118.95 125.67 2wbj s ARG 13 Ca 0.02 -1.60 0.03 0.00 0.00 0.00 0.00 55.73 54.18 2wbj s ARG 13 Cb -0.13 -3.66 -0.03 0.00 0.00 0.00 0.00 34.95 31.13 2wbj s ARG 13 CO -0.09 -0.98 -0.11 -1.83 0.00 0.00 0.00 175.30 172.29 2wbj s GLU 14 N 1.30 2.55 -0.14 3.54 -1.05 -0.11 -4.99 118.70 119.81 2wbj s GLU 14 Ca 0.04 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.19 2wbj s GLU 14 Cb -0.23 -2.44 -0.01 0.00 -0.44 0.00 0.00 34.13 31.01 2wbj s GLU 14 CO -0.01 0.63 -0.16 0.00 0.95 0.00 0.00 175.26 176.67 2wbj s HIS 16 N 0.59 3.11 -0.17 0.00 3.76 0.29 -4.98 115.29 117.89 2wbj s HIS 16 Ca -0.09 -1.11 -0.08 0.00 -0.15 0.00 0.00 55.06 53.63 2wbj s HIS 16 Cb -0.16 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2wbj s HIS 16 CO 0.03 -0.61 0.10 -0.06 -0.85 0.00 0.00 174.74 173.36 2wbj s PHE 17 N 1.46 3.37 -0.01 1.40 0.08 -1.26 -1.49 117.98 121.53 2wbj s PHE 17 Ca 0.02 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.40 2wbj s PHE 17 Cb -0.17 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2wbj s PHE 17 CO 0.00 0.33 -0.18 -0.06 -0.10 0.00 0.00 175.22 175.21 2wbj s PHE 18 N 0.06 1.64 -1.39 0.36 0.40 -0.22 -4.80 117.98 114.04 2wbj s PHE 18 Ca 0.08 -0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.01 2wbj s PHE 18 Cb -0.12 -1.05 0.01 0.00 0.51 0.00 0.00 43.02 42.37 2wbj s PHE 18 CO -0.00 -0.01 0.37 -1.71 0.70 0.00 0.00 175.22 174.57 2wbj n ASN 19 N 2.53 -1.06 0.00 1.36 5.15 -1.26 -2.82 115.26 119.16 2wbj n ASN 19 Ca -0.15 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 2wbj n ASN 19 Cb 0.54 -2.45 0.00 0.00 -0.53 0.00 0.00 39.78 37.34 2wbj n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wbj n GLY 20 N -2.15 1.78 0.03 8.20 0.00 -1.26 -3.29 105.19 108.49 2wbj n GLY 20 Ca -0.26 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.44 2wbj n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wbj n THR 21 N 0.00 0.96 -0.24 2.61 -2.24 -1.24 -4.77 114.28 109.35 2wbj n THR 21 Ca 0.00 -1.02 -0.03 0.00 -2.27 0.00 0.00 64.05 60.73 2wbj n THR 21 Cb 0.00 0.46 0.08 0.00 -2.10 0.00 0.00 70.33 68.77 2wbj n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wbj h GLU 22 N 0.00 0.80 -5.16 -0.78 4.57 -1.52 -3.40 114.58 109.09 2wbj h GLU 22 Ca 0.00 -0.05 -0.58 0.00 -1.18 0.00 0.00 59.36 57.56 2wbj h GLU 22 Cb 0.68 -0.18 -0.32 0.00 -0.16 0.00 0.00 28.75 28.77 2wbj h GLU 22 CO 0.00 0.53 -0.84 0.50 -1.18 0.00 0.00 179.01 178.02 2wbj s ARG 23 N -6.11 2.00 -0.01 1.92 3.52 -1.13 -5.05 118.95 114.09 2wbj s ARG 23 Ca -0.13 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2wbj s ARG 23 Cb 0.15 -1.66 -0.01 0.00 -1.56 0.00 0.00 34.95 31.87 2wbj s ARG 23 CO 0.77 0.19 -0.10 0.08 -0.81 0.00 0.00 175.30 175.42 2wbj s VAL 24 N 0.23 0.83 -0.14 7.11 1.01 -1.26 -1.06 120.40 127.12 2wbj s VAL 24 Ca -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2wbj s VAL 24 Cb -0.14 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2wbj s VAL 24 CO 0.04 0.24 -0.18 -0.60 0.00 0.00 0.00 175.10 174.59 2wbj s ARG 25 N -0.13 2.67 -0.17 2.72 3.52 -0.56 -4.97 118.95 122.03 2wbj s ARG 25 Ca 0.02 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2wbj s ARG 25 Cb -0.05 -2.25 -0.02 0.00 -1.56 0.00 0.00 34.95 31.06 2wbj s ARG 25 CO -0.00 -0.10 -0.06 0.12 -0.81 0.00 0.00 175.30 174.45 2wbj s PHE 26 N 1.07 2.96 -0.09 5.12 5.36 -1.26 -0.54 117.98 130.58 2wbj s PHE 26 Ca -0.03 -0.58 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 2wbj s PHE 26 Cb -0.14 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2wbj s PHE 26 CO -0.05 -0.25 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.79 2wbj s LEU 27 N 0.76 2.57 -0.31 6.12 2.01 -0.26 -1.05 118.68 128.51 2wbj s LEU 27 Ca -0.02 -0.34 -0.05 0.00 0.01 0.00 0.00 54.13 53.73 2wbj s LEU 27 Cb -0.15 -1.54 0.04 0.00 0.01 0.00 0.00 46.19 44.55 2wbj s LEU 27 CO 0.02 0.23 0.05 -0.62 1.01 0.00 0.00 176.35 177.04 2wbj s ASP 28 N -0.04 5.07 -0.02 2.29 -1.08 0.28 -0.93 116.67 122.23 2wbj s ASP 28 Ca -0.04 -1.09 0.07 0.00 -0.52 0.00 0.00 52.55 50.97 2wbj s ASP 28 Cb -0.14 -1.81 -0.02 0.00 -1.46 0.00 0.00 42.92 39.50 2wbj s ASP 28 CO 0.04 -0.27 -0.23 -0.13 0.52 0.00 0.00 175.17 175.11 2wbj s ARG 29 N 1.37 1.86 -0.07 4.34 0.52 0.58 -0.37 118.95 127.18 2wbj s ARG 29 Ca -0.02 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2wbj s ARG 29 Cb -0.19 -1.78 0.01 0.00 0.52 0.00 0.00 34.95 33.50 2wbj s ARG 29 CO 0.01 0.47 -0.17 0.71 0.02 0.00 0.00 175.30 176.34 2wbj s TYR 30 N -0.49 1.85 -0.25 -0.53 1.51 -0.86 0.59 117.35 119.16 2wbj s TYR 30 Ca 0.08 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2wbj s TYR 30 Cb -0.09 -1.28 0.07 0.00 -0.11 0.00 0.00 41.96 40.55 2wbj s TYR 30 CO -0.01 -0.29 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.07 2wbj s PHE 31 N 0.42 2.24 -0.20 2.71 0.40 0.32 -1.57 117.98 122.30 2wbj s PHE 31 Ca -0.13 -1.73 -0.18 0.00 -0.60 0.00 0.00 56.93 54.28 2wbj s PHE 31 Cb -0.15 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 2wbj s PHE 31 CO 0.05 -0.78 0.50 -0.47 0.70 0.00 0.00 175.22 175.22 2wbj s TYR 32 N 1.45 3.37 0.00 0.36 5.04 -0.68 -1.10 117.35 125.79 2wbj s TYR 32 Ca -0.02 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 2wbj s TYR 32 Cb -0.18 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.48 2wbj s TYR 32 CO -0.09 -0.09 0.00 0.09 -1.34 0.00 0.00 175.55 174.12 2wbj n ASN 33 N 4.74 0.00 0.02 4.32 3.02 -0.25 -2.42 115.26 124.69 2wbj n ASN 33 Ca -0.05 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.54 2wbj n ASN 33 Cb 0.50 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 2wbj n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2wbj n GLN 34 N 14.00 0.64 -2.69 3.52 7.27 -1.26 -4.80 117.38 134.06 2wbj n GLN 34 Ca 0.00 0.04 -0.42 0.00 0.07 0.00 0.00 57.00 56.69 2wbj n GLN 34 Cb 0.00 -1.68 -0.03 0.00 2.41 0.00 0.00 30.24 30.94 2wbj n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2wbj s GLU 35 N -3.13 4.43 0.56 3.69 2.12 -1.02 -5.00 118.70 120.36 2wbj s GLU 35 Ca -0.05 1.40 -0.21 0.00 0.36 0.00 0.00 54.97 56.47 2wbj s GLU 35 Cb 0.10 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2wbj s GLU 35 CO 0.84 -0.30 1.34 -1.91 -0.54 0.00 0.00 175.26 174.69 2wbj n GLU 36 N 4.93 1.58 0.00 4.30 2.13 -1.26 -1.68 120.64 130.63 2wbj n GLU 36 Ca 0.09 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2wbj n GLU 36 Cb 0.49 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.64 2wbj n GLU 36 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2wbj n SER 37 N -1.13 0.32 -3.91 4.31 3.41 -0.61 -4.26 113.62 111.75 2wbj n SER 37 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.62 2wbj n SER 37 Cb 0.45 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 2wbj n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wbj s VAL 38 N -1.95 0.06 -0.04 -3.33 0.11 -1.25 0.50 120.40 114.50 2wbj s VAL 38 Ca 0.00 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2wbj s VAL 38 Cb 0.00 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2wbj s VAL 38 CO 0.00 -0.27 0.16 0.00 -3.33 0.00 0.00 175.10 171.66 2wbj s ARG 39 N -0.82 0.32 -0.14 1.54 1.70 -0.43 -2.04 118.95 119.07 2wbj s ARG 39 Ca -0.09 -0.02 -0.11 0.00 -0.47 0.00 0.00 55.73 55.04 2wbj s ARG 39 Cb -0.06 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 2wbj s ARG 39 CO -0.00 -0.06 0.22 0.12 -1.08 0.00 0.00 175.30 174.50 2wbj s PHE 40 N -0.51 3.51 -0.17 5.89 2.19 0.50 -0.96 117.98 128.42 2wbj s PHE 40 Ca -0.06 0.55 0.00 0.00 0.33 0.00 0.00 56.93 57.75 2wbj s PHE 40 Cb -0.04 -2.19 0.04 0.00 -1.31 0.00 0.00 43.02 39.52 2wbj s PHE 40 CO 0.01 0.41 -0.09 0.34 1.83 0.00 0.00 175.22 177.72 2wbj s ASP 41 N -0.08 3.02 0.57 6.13 -1.08 -1.26 -0.55 116.67 123.42 2wbj s ASP 41 Ca 0.14 -0.71 0.26 0.00 -0.52 0.00 0.00 52.55 51.73 2wbj s ASP 41 Cb -0.13 -1.09 1.58 0.00 -1.46 0.00 0.00 42.92 41.82 2wbj s ASP 41 CO 0.03 -0.14 2.11 0.77 0.52 0.00 0.00 175.17 178.46 2wbj h SER 42 N 8.05 0.00 1.19 -0.34 4.64 -1.46 0.45 113.55 126.08 2wbj h SER 42 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2wbj h SER 42 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2wbj h SER 42 CO 0.46 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.89 2wbj n ASP 43 N -4.00 0.33 -0.13 4.97 8.00 -1.26 -3.92 116.55 120.53 2wbj n ASP 43 Ca 0.02 0.53 -0.28 0.00 0.71 0.00 0.00 54.79 55.77 2wbj n ASP 43 Cb 0.31 -0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 2wbj n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wbj n VAL 44 N -1.81 1.53 0.00 2.53 0.31 0.14 -5.04 118.33 115.98 2wbj n VAL 44 Ca 0.06 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2wbj n VAL 44 Cb 0.37 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 2wbj n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wbj n GLY 45 N 1.36 2.99 3.36 2.92 0.00 -0.02 -5.05 105.19 110.76 2wbj n GLY 45 Ca -0.52 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 2wbj n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wbj s GLU 46 N -0.61 1.84 0.25 1.61 -1.05 -1.26 -4.92 118.70 114.56 2wbj s GLU 46 Ca 0.00 -2.09 -0.30 0.00 -0.15 0.00 0.00 54.97 52.43 2wbj s GLU 46 Cb 0.00 0.03 -0.09 0.00 -0.44 0.00 0.00 34.13 33.63 2wbj s GLU 46 CO 0.00 -0.61 1.00 -0.06 0.95 0.00 0.00 175.26 176.54 2wbj s PHE 47 N -3.35 3.83 -0.04 4.83 0.40 -1.26 -4.03 117.98 118.35 2wbj s PHE 47 Ca 0.35 1.83 0.06 0.00 -0.60 0.00 0.00 56.93 58.56 2wbj s PHE 47 Cb 0.02 -3.10 -0.01 0.00 0.51 0.00 0.00 43.02 40.44 2wbj s PHE 47 CO 0.24 0.06 -0.21 1.03 0.70 0.00 0.00 175.22 177.04 2wbj s ARG 48 N -1.26 1.98 0.28 0.44 1.81 -0.14 -4.92 118.95 117.15 2wbj s ARG 48 Ca 0.42 -0.74 -0.29 0.00 -1.72 0.00 0.00 55.73 53.40 2wbj s ARG 48 Cb -0.28 -1.76 -0.10 0.00 -0.45 0.00 0.00 34.95 32.36 2wbj s ARG 48 CO 0.36 0.35 1.19 0.00 -0.68 0.00 0.00 175.30 176.51 2wbj s ALA 49 N -0.19 3.45 -0.03 2.13 0.00 -1.26 -1.32 121.76 124.53 2wbj s ALA 49 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.07 2wbj s ALA 49 Cb -0.11 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 2wbj s ALA 49 CO 0.02 -0.36 0.14 1.33 0.00 0.00 0.00 175.76 176.89 2wbj n VAL 50 N 1.33 0.17 -4.36 0.00 0.24 0.18 -4.95 118.33 110.95 2wbj n VAL 50 Ca 0.00 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 2wbj n VAL 50 Cb 0.44 -0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 2wbj n VAL 50 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wbj s THR 51 N -2.49 1.25 0.16 3.34 -4.23 -1.04 -4.95 115.64 107.67 2wbj s THR 51 Ca -0.03 -2.07 0.35 0.00 -1.18 0.00 0.00 61.69 58.76 2wbj s THR 51 Cb 0.05 -2.35 0.38 0.00 1.34 0.00 0.00 72.50 71.91 2wbj s THR 51 CO 0.36 -0.34 2.03 -0.33 -0.54 0.00 0.00 174.62 175.80 2wbj h GLU 52 N 2.42 0.00 -0.47 3.99 4.39 -1.95 -1.89 114.58 121.08 2wbj h GLU 52 Ca -0.39 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.34 2wbj h GLU 52 Cb 1.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 2wbj h GLU 52 CO 0.65 0.00 0.27 1.25 -1.16 0.00 0.00 179.01 180.02 2wbj h LEU 53 N 0.00 0.42 -0.04 1.33 5.85 -1.96 -3.14 115.31 117.77 2wbj h LEU 53 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2wbj h LEU 53 Cb 0.33 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2wbj h LEU 53 CO 0.00 0.30 -0.01 0.61 -0.34 0.00 0.00 178.44 179.00 2wbj n GLY 54 N -1.23 -1.13 0.35 3.75 0.00 -0.71 -4.29 105.19 101.94 2wbj n GLY 54 Ca 0.03 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2wbj n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wbj h ARG 55 N 0.09 -0.71 0.00 1.61 9.65 -1.57 -1.30 114.38 122.16 2wbj h ARG 55 Ca 0.00 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2wbj h ARG 55 Cb 0.19 0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2wbj h ARG 55 CO 0.00 -0.47 -0.15 -1.00 2.80 0.00 0.00 179.97 181.15 2wbj h PRO 56 N -0.73 0.00 -0.17 0.20 0.13 -1.82 0.11 132.00 129.72 2wbj h PRO 56 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2wbj h PRO 56 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 2wbj h PRO 56 CO -0.01 0.15 -0.09 -0.44 -0.23 0.00 0.00 178.00 177.38 2wbj h ASP 57 N 0.00 0.38 -0.25 1.44 5.19 -1.78 -2.34 116.42 119.06 2wbj h ASP 57 Ca -0.00 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 2wbj h ASP 57 Cb 0.32 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2wbj h ASP 57 CO 0.02 0.72 0.14 0.00 -3.12 0.00 0.00 179.24 177.00 2wbj h ALA 58 N 0.67 0.32 -0.87 3.45 0.00 -0.64 -2.07 119.26 120.13 2wbj h ALA 58 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wbj h ALA 58 Cb 0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2wbj h ALA 58 CO 0.03 -0.14 0.55 0.93 0.00 0.00 0.00 179.25 180.61 2wbj h GLU 59 N 0.30 1.16 0.25 0.00 5.08 -1.03 -2.28 114.58 118.05 2wbj h GLU 59 Ca 0.09 -0.09 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2wbj h GLU 59 Cb 0.07 -0.25 0.04 0.00 0.50 0.00 0.00 28.75 29.10 2wbj h GLU 59 CO -0.01 0.79 -1.51 -0.92 -1.00 0.00 0.00 179.01 176.35 2wbj h TYR 60 N 1.18 0.97 -0.19 4.33 3.20 -1.30 -3.18 116.97 121.98 2wbj h TYR 60 Ca 0.31 -0.71 -0.11 0.00 3.14 0.00 0.00 58.73 61.37 2wbj h TYR 60 Cb -0.10 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2wbj h TYR 60 CO 0.00 1.58 -0.34 -1.49 -1.64 0.00 0.00 178.16 176.27 2wbj h TRP 61 N 0.14 0.46 0.00 -3.82 6.55 -1.37 -2.92 115.95 114.99 2wbj h TRP 61 Ca -0.27 -0.11 -0.02 0.00 0.95 0.00 0.00 58.89 59.44 2wbj h TRP 61 Cb 2.17 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 30.36 2wbj h TRP 61 CO 0.13 0.70 -0.10 -0.91 -1.05 0.00 0.00 178.44 177.20 2wbj h ASN 62 N 0.34 0.00 -0.20 -3.49 2.35 -1.46 -2.86 115.58 110.27 2wbj h ASN 62 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2wbj h ASN 62 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2wbj h ASN 62 CO 0.06 0.10 0.00 -1.54 -1.65 0.00 0.00 177.43 174.40 2wbj n SER 63 N -3.37 1.46 -4.21 5.81 3.41 -1.10 -4.72 113.62 110.90 2wbj n SER 63 Ca -0.01 -1.78 -0.37 0.00 -0.26 0.00 0.00 58.87 56.46 2wbj n SER 63 Cb 0.29 -0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 2wbj n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wbj s GLN 64 N -1.75 2.45 0.23 4.33 -1.52 -1.08 -5.00 119.66 117.33 2wbj s GLN 64 Ca 0.27 -1.32 -0.08 0.00 -1.95 0.00 0.00 55.36 52.28 2wbj s GLN 64 Cb 0.14 -3.38 0.37 0.00 -0.22 0.00 0.00 33.01 29.93 2wbj s GLN 64 CO 0.21 -0.72 1.67 1.57 -0.25 0.00 0.00 175.29 177.78 2wbj h LYS 65 N 8.12 0.19 -0.15 2.91 2.10 -1.87 -2.19 116.57 125.68 2wbj h LYS 65 Ca -0.21 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.33 2wbj h LYS 65 Cb 1.07 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2wbj h LYS 65 CO 0.60 0.12 -0.31 0.38 -2.00 0.00 0.00 179.45 178.24 2wbj h ASP 66 N 0.19 0.53 -0.98 7.07 2.03 -1.95 0.72 116.42 124.04 2wbj h ASP 66 Ca 0.37 -0.56 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2wbj h ASP 66 Cb 0.61 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 38.91 2wbj h ASP 66 CO -0.52 0.99 0.63 0.40 -1.03 0.00 0.00 179.24 179.71 2wbj h ILE 67 N 0.09 1.26 -0.44 4.15 2.04 -1.86 0.97 117.51 123.72 2wbj h ILE 67 Ca 0.00 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2wbj h ILE 67 Cb 0.91 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2wbj h ILE 67 CO 0.07 0.26 0.01 0.25 0.00 0.00 0.00 178.15 178.74 2wbj h LEU 68 N 1.34 0.74 -0.71 1.44 5.85 -1.30 -1.40 115.31 121.28 2wbj h LEU 68 Ca 0.36 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2wbj h LEU 68 Cb -0.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2wbj h LEU 68 CO -0.07 0.86 0.40 -0.33 -0.34 0.00 0.00 178.44 178.96 2wbj h GLU 69 N 0.60 0.98 -0.07 1.25 5.08 -0.38 -1.80 114.58 120.24 2wbj h GLU 69 Ca 0.13 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wbj h GLU 69 Cb 0.47 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wbj h GLU 69 CO 0.02 0.72 0.03 1.96 -1.00 0.00 0.00 179.01 180.74 2wbj h GLN 70 N 0.97 0.11 -0.87 2.33 4.20 -0.74 -2.33 115.11 118.77 2wbj h GLN 70 Ca 0.25 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.95 2wbj h GLN 70 Cb 0.01 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2wbj h GLN 70 CO -0.04 0.23 0.58 0.00 -0.67 0.00 0.00 178.83 178.93 2wbj h ALA 71 N 0.87 1.10 0.00 3.87 0.00 -1.17 -1.30 119.26 122.62 2wbj h ALA 71 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2wbj h ALA 71 Cb 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wbj h ALA 71 CO -0.00 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 2wbj h ARG 72 N 1.18 0.00 0.00 0.00 3.08 -1.24 -2.80 114.38 114.59 2wbj h ARG 72 Ca 0.32 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.23 2wbj h ARG 72 Cb -0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2wbj h ARG 72 CO -0.07 0.10 -0.87 0.00 -1.07 0.00 0.00 179.97 178.06 2wbj h ALA 73 N 1.90 0.63 -0.72 0.04 0.00 -0.68 -3.39 119.26 117.04 2wbj h ALA 73 Ca -0.00 -0.65 0.16 0.00 0.00 0.00 0.00 54.91 54.43 2wbj h ALA 73 Cb 0.42 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2wbj h ALA 73 CO 0.01 0.80 0.49 0.00 0.00 0.00 0.00 179.25 180.56 2wbj h ALA 74 N 1.41 2.28 -0.89 0.00 0.00 -1.16 0.10 119.26 121.01 2wbj h ALA 74 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2wbj h ALA 74 Cb 1.50 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 2wbj h ALA 74 CO 0.07 -0.49 0.58 -0.24 0.00 0.00 0.00 179.25 179.17 2wbj h VAL 75 N 0.27 0.97 0.03 0.00 3.04 -1.78 0.57 116.25 119.35 2wbj h VAL 75 Ca 0.35 -0.30 -0.33 0.00 -1.01 0.00 0.00 66.70 65.41 2wbj h VAL 75 Cb 0.99 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.24 2wbj h VAL 75 CO -0.08 0.16 -1.82 0.47 -1.01 0.00 0.00 177.57 175.29 2wbj n ASP 76 N -4.53 1.96 -0.07 3.17 8.00 -0.10 -2.48 116.55 122.50 2wbj n ASP 76 Ca 0.15 0.30 0.13 0.00 0.71 0.00 0.00 54.79 56.09 2wbj n ASP 76 Cb 0.30 -0.86 0.51 0.00 -0.02 0.00 0.00 41.12 41.05 2wbj n ASP 76 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2wbj n THR 77 N -4.05 0.00 0.11 -3.53 5.66 0.17 -3.01 114.28 109.63 2wbj n THR 77 Ca -0.38 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2wbj n THR 77 Cb 0.84 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 2wbj n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wbj n TYR 78 N -1.20 -1.77 0.42 1.09 9.36 -0.06 -4.71 117.16 120.30 2wbj n TYR 78 Ca 0.10 0.31 -0.18 0.00 3.32 0.00 0.00 57.90 61.46 2wbj n TYR 78 Cb 0.31 0.42 -0.09 0.00 -0.63 0.00 0.00 39.34 39.35 2wbj n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wbj h ARG 80 N -1.21 0.94 0.08 0.00 3.08 -1.55 -0.82 114.38 114.90 2wbj h ARG 80 Ca -0.11 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.76 2wbj h ARG 80 Cb 0.84 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2wbj h ARG 80 CO 0.18 0.82 -0.28 1.25 -1.07 0.00 0.00 179.97 180.87 2wbj h HIS 81 N 0.91 -0.80 -0.81 3.04 2.76 -1.54 -3.00 115.15 115.71 2wbj h HIS 81 Ca 0.20 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.52 2wbj h HIS 81 Cb 0.28 0.34 -0.09 0.00 1.55 0.00 0.00 27.41 29.49 2wbj h HIS 81 CO 0.02 -0.32 0.42 -0.91 -1.30 0.00 0.00 177.93 175.84 2wbj h ASN 82 N -0.41 0.52 -0.09 3.26 4.21 -0.30 -2.01 115.58 120.77 2wbj h ASN 82 Ca -0.01 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.62 2wbj h ASN 82 Cb 0.40 -0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 37.54 2wbj h ASN 82 CO -0.14 0.25 -0.31 0.22 -1.29 0.00 0.00 177.43 176.16 2wbj h TYR 83 N 0.64 -0.86 0.00 1.19 5.03 -1.18 -1.33 116.97 120.45 2wbj h TYR 83 Ca 0.42 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.75 2wbj h TYR 83 Cb 0.54 0.39 -0.00 0.00 1.55 0.00 0.00 36.73 39.21 2wbj h TYR 83 CO -0.09 -0.40 -0.10 0.78 -1.32 0.00 0.00 178.16 177.03 2wbj h GLY 84 N -0.41 0.00 0.54 1.82 0.00 -1.22 0.42 103.07 104.22 2wbj h GLY 84 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2wbj h GLY 84 CO -0.32 0.00 -0.23 -2.08 0.00 0.00 0.00 176.54 173.91 2wbj h VAL 85 N 0.00 1.48 0.00 4.60 2.07 -1.07 -3.35 116.25 119.98 2wbj h VAL 85 Ca -0.00 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2wbj h VAL 85 Cb 0.24 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2wbj h VAL 85 CO 0.01 0.49 -0.66 1.33 0.02 0.00 0.00 177.57 178.76 2wbj n VAL 86 N -4.52 0.06 -0.13 2.57 0.24 -0.57 -4.53 118.33 111.45 2wbj n VAL 86 Ca -0.09 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.34 62.11 2wbj n VAL 86 Cb 0.47 0.30 0.03 0.00 -1.47 0.00 0.00 33.84 33.17 2wbj n VAL 86 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2wbj h GLU 87 N 0.00 0.05 -0.90 7.34 4.81 -0.32 -2.26 114.58 123.30 2wbj h GLU 87 Ca 0.00 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2wbj h GLU 87 Cb 0.56 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.78 2wbj h GLU 87 CO 0.00 0.03 -0.34 0.45 -0.73 0.00 0.00 179.01 178.42 2wbj n SER 88 N -5.27 -0.56 -0.62 1.04 2.88 -1.26 -2.10 113.62 107.73 2wbj n SER 88 Ca 0.03 1.58 0.06 0.00 -1.33 0.00 0.00 58.87 59.21 2wbj n SER 88 Cb 0.24 -0.37 0.13 0.00 -0.75 0.00 0.00 64.21 63.45 2wbj n SER 88 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2wbj n PHE 89 N -5.35 0.34 0.07 0.66 -1.74 -0.88 -3.97 117.46 106.60 2wbj n PHE 89 Ca 0.10 -0.35 0.00 0.00 -0.56 0.00 0.00 57.45 56.64 2wbj n PHE 89 Cb 0.37 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.35 2wbj n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2wbj n THR 90 N 0.61 0.92 0.11 1.97 -2.24 -1.06 -4.46 114.28 110.12 2wbj n THR 90 Ca 0.11 0.30 -0.00 0.00 -2.27 0.00 0.00 64.05 62.19 2wbj n THR 90 Cb 0.40 -1.32 0.29 0.00 -2.10 0.00 0.00 70.33 67.59 2wbj n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wbj h VAL 91 N 0.00 1.27 -0.50 2.28 2.07 -1.62 -2.97 116.25 116.77 2wbj h VAL 91 Ca 0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2wbj h VAL 91 Cb 0.00 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2wbj h VAL 91 CO 0.00 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.97 2wbj n GLN 92 N -4.11 2.55 -2.11 1.57 6.02 -1.06 -4.96 117.38 115.28 2wbj n GLN 92 Ca -0.01 -2.35 -0.42 0.00 -0.01 0.00 0.00 57.00 54.20 2wbj n GLN 92 Cb 0.41 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 2wbj n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wbj s ARG 93 N -1.19 4.29 -0.11 -1.09 3.52 -1.12 -4.94 118.95 118.30 2wbj s ARG 93 Ca 0.39 2.14 -0.04 0.00 -0.13 0.00 0.00 55.73 58.10 2wbj s ARG 93 Cb 0.22 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 30.42 2wbj s ARG 93 CO 0.29 -0.49 0.16 1.03 -0.81 0.00 0.00 175.30 175.48 2wbj s ARG 94 N 1.18 0.06 -0.12 5.12 0.52 -1.26 -4.28 118.95 120.17 2wbj s ARG 94 Ca 0.66 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 56.32 2wbj s ARG 94 Cb -0.38 -0.58 0.02 0.00 0.52 0.00 0.00 34.95 34.52 2wbj s ARG 94 CO 0.30 -0.40 -0.14 0.08 0.02 0.00 0.00 175.30 175.17 2wbj s VAL 95 N 2.28 1.44 0.24 3.52 1.01 0.19 -4.95 120.40 124.12 2wbj s VAL 95 Ca 0.04 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2wbj s VAL 95 Cb -0.13 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 2wbj s VAL 95 CO -0.07 0.43 1.47 -1.10 0.00 0.00 0.00 175.10 175.83 2wbj s GLN 96 N 1.17 4.24 0.68 2.72 -0.21 -1.26 -2.03 119.66 124.98 2wbj s GLN 96 Ca -0.03 2.34 -0.13 0.00 0.02 0.00 0.00 55.36 57.56 2wbj s GLN 96 Cb -0.14 -3.10 0.01 0.00 1.00 0.00 0.00 33.01 30.77 2wbj s GLN 96 CO -0.04 -0.47 1.09 -1.25 -2.12 0.00 0.00 175.29 172.50 2wbj s PRO 97 N -0.22 2.75 -0.19 2.91 0.04 -1.26 -4.49 135.00 134.54 2wbj s PRO 97 Ca 0.61 1.24 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 2wbj s PRO 97 Cb -0.43 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2wbj s PRO 97 CO 0.42 -1.27 0.03 0.15 0.04 0.00 0.00 177.00 176.38 2wbj s LYS 98 N -4.44 3.77 -0.35 4.56 1.02 -0.38 -4.93 119.74 119.00 2wbj s LYS 98 Ca 0.64 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 56.14 2wbj s LYS 98 Cb -0.18 -3.15 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2wbj s LYS 98 CO 0.46 0.12 0.10 0.08 -0.92 0.00 0.00 175.35 175.19 2wbj s VAL 99 N 0.76 3.43 -0.05 3.17 1.01 -1.26 -2.27 120.40 125.19 2wbj s VAL 99 Ca 0.02 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.58 2wbj s VAL 99 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2wbj s VAL 99 CO 0.02 -0.28 -0.04 -0.89 0.00 0.00 0.00 175.10 173.91 2wbj s THR 100 N 1.30 3.88 -0.12 3.92 2.01 0.28 -4.91 115.64 122.00 2wbj s THR 100 Ca -0.01 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2wbj s THR 100 Cb -0.21 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.68 2wbj s THR 100 CO -0.00 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 2wbj s VAL 101 N -0.90 1.83 0.00 3.82 1.01 -1.26 0.49 120.40 125.39 2wbj s VAL 101 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2wbj s VAL 101 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2wbj s VAL 101 CO 0.04 0.51 0.02 -0.72 0.00 0.00 0.00 175.10 174.94 2wbj s TYR 102 N 0.83 0.12 0.66 5.22 -0.85 -0.69 -5.00 117.35 117.63 2wbj s TYR 102 Ca -0.08 -0.24 -0.15 0.00 -0.52 0.00 0.00 57.07 56.08 2wbj s TYR 102 Cb -0.16 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.09 2wbj s TYR 102 CO -0.01 -0.14 1.12 -1.25 -1.52 0.00 0.00 175.55 173.76 2wbj s PRO 103 N -0.88 2.73 0.13 -3.49 0.04 -1.26 -0.70 135.00 131.56 2wbj s PRO 103 Ca -0.10 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.39 2wbj s PRO 103 Cb -0.06 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 2wbj s PRO 103 CO -0.00 -1.31 0.16 0.45 0.04 0.00 0.00 177.00 176.33 2wbj n SER 104 N -2.43 -0.43 -4.48 6.66 2.88 0.95 -4.85 113.62 111.91 2wbj n SER 104 Ca 0.11 -1.77 -0.23 0.00 -1.33 0.00 0.00 58.87 55.65 2wbj n SER 104 Cb 0.52 0.85 -0.11 0.00 -0.75 0.00 0.00 64.21 64.72 2wbj n SER 104 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wbj s LYS 105 N -2.39 1.71 -0.10 -1.46 1.02 -1.26 -1.02 119.74 116.23 2wbj s LYS 105 Ca 0.13 -1.95 -0.09 0.00 0.02 0.00 0.00 55.97 54.08 2wbj s LYS 105 Cb 0.00 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 2wbj s LYS 105 CO 0.09 -0.15 -0.19 -2.37 -0.92 0.00 0.00 175.35 171.80 2wbj n THR 106 N -0.74 1.10 -2.41 2.17 5.66 -1.26 -4.86 114.28 113.94 2wbj n THR 106 Ca -0.03 0.02 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 2wbj n THR 106 Cb 0.67 -1.85 0.09 0.00 -1.55 0.00 0.00 70.33 67.68 2wbj n THR 106 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2wbj s GLN 107 N -2.38 1.95 0.18 1.09 1.11 -1.26 -5.06 119.66 115.29 2wbj s GLN 107 Ca -0.19 -0.69 -0.33 0.00 0.01 0.00 0.00 55.36 54.16 2wbj s GLN 107 Cb 0.05 -2.27 -0.13 0.00 -1.01 0.00 0.00 33.01 29.65 2wbj s GLN 107 CO 0.25 -1.30 1.59 -2.30 0.01 0.00 0.00 175.29 173.55 2wbj n PRO 108 N -2.83 2.29 -3.99 2.91 -0.02 -1.26 -5.02 135.00 127.08 2wbj n PRO 108 Ca 0.11 0.83 -0.09 0.00 -2.02 0.00 0.00 63.50 62.32 2wbj n PRO 108 Cb 0.60 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 2wbj n PRO 108 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wbj s LEU 109 N 0.83 1.14 0.32 2.45 2.01 -1.26 -5.06 118.68 119.11 2wbj s LEU 109 Ca 0.76 -0.92 0.23 0.00 0.01 0.00 0.00 54.13 54.21 2wbj s LEU 109 Cb -0.63 1.02 0.17 0.00 0.01 0.00 0.00 46.19 46.75 2wbj s LEU 109 CO 0.38 -0.85 1.32 0.06 1.01 0.00 0.00 176.35 178.27 2wbj h GLN 110 N 2.62 0.00 -5.56 1.70 -0.00 -2.04 -3.46 115.11 108.36 2wbj h GLN 110 Ca -0.32 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 57.85 2wbj h GLN 110 Cb 1.22 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 28.56 2wbj h GLN 110 CO 0.51 0.00 -0.71 -1.01 -0.00 0.00 0.00 178.83 177.62 2wbj s HIS 111 N -3.29 1.84 -0.01 0.06 3.76 -1.26 -5.13 115.29 111.27 2wbj s HIS 111 Ca 0.03 -0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 54.02 2wbj s HIS 111 Cb 0.07 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 2wbj s HIS 111 CO 0.73 0.33 1.00 -1.01 -0.85 0.00 0.00 174.74 174.94 2wbj s HIS 112 N -2.98 3.63 -0.09 1.40 3.76 -1.26 -4.94 115.29 114.81 2wbj s HIS 112 Ca 0.26 1.66 -0.07 0.00 -0.15 0.00 0.00 55.06 56.76 2wbj s HIS 112 Cb 0.01 -3.15 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 2wbj s HIS 112 CO 0.09 -0.12 -0.14 -1.71 -0.85 0.00 0.00 174.74 172.02 2wbj n ASN 113 N 4.01 1.09 -4.54 1.40 4.05 -0.19 -4.47 115.26 116.60 2wbj n ASN 113 Ca 0.06 0.37 -0.24 0.00 0.45 0.00 0.00 54.58 55.23 2wbj n ASN 113 Cb 0.50 -0.69 -0.09 0.00 1.23 0.00 0.00 39.78 40.73 2wbj n ASN 113 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 2wbj s LEU 114 N -6.69 2.83 -0.08 1.20 2.34 -0.96 -3.03 118.68 114.29 2wbj s LEU 114 Ca -0.12 -0.82 -0.03 0.00 0.06 0.00 0.00 54.13 53.22 2wbj s LEU 114 Cb 0.02 -1.39 -0.04 0.00 -0.56 0.00 0.00 46.19 44.22 2wbj s LEU 114 CO 0.17 0.04 0.06 -0.76 -1.06 0.00 0.00 176.35 174.81 2wbj s LEU 115 N -3.39 3.91 -0.15 1.48 1.43 0.76 -0.04 118.68 122.69 2wbj s LEU 115 Ca 0.29 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2wbj s LEU 115 Cb -0.06 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2wbj s LEU 115 CO 0.16 0.37 -0.20 -0.69 0.23 0.00 0.00 176.35 176.23 2wbj s VAL 116 N -0.99 2.28 -0.34 -1.59 1.01 0.12 -0.01 120.40 120.88 2wbj s VAL 116 Ca 0.16 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2wbj s VAL 116 Cb -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2wbj s VAL 116 CO 0.05 0.54 0.24 0.00 0.00 0.00 0.00 175.10 175.92 2wbj s SER 118 N 1.72 5.10 -0.21 0.00 0.15 0.18 -0.97 113.70 119.66 2wbj s SER 118 Ca 0.06 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.54 2wbj s SER 118 Cb -0.17 -1.90 0.04 0.00 -1.71 0.00 0.00 66.02 62.28 2wbj s SER 118 CO 0.10 0.01 -0.11 -0.69 1.20 0.00 0.00 173.24 173.74 2wbj s VAL 119 N 1.37 1.81 0.07 4.45 1.01 -0.73 -0.55 120.40 127.82 2wbj s VAL 119 Ca 0.05 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.91 2wbj s VAL 119 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2wbj s VAL 119 CO 0.03 0.16 -0.10 -0.94 0.00 0.00 0.00 175.10 174.24 2wbj s SER 120 N 1.31 1.27 -0.25 3.32 1.04 -0.96 -1.05 113.70 118.38 2wbj s SER 120 Ca -0.02 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 2wbj s SER 120 Cb -0.17 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2wbj s SER 120 CO -0.08 -0.20 0.06 0.61 0.98 0.00 0.00 173.24 174.61 2wbj n GLY 121 N 1.05 0.41 3.71 7.32 0.00 -0.16 -1.25 105.19 116.28 2wbj n GLY 121 Ca -0.20 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 2wbj n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wbj s PHE 122 N -2.47 2.95 -0.15 1.61 -0.71 -1.11 -4.48 117.98 113.62 2wbj s PHE 122 Ca 0.03 -0.09 -0.12 0.00 -1.04 0.00 0.00 56.93 55.71 2wbj s PHE 122 Cb -0.01 -1.43 0.04 0.00 -1.21 0.00 0.00 43.02 40.41 2wbj s PHE 122 CO 0.04 0.52 0.39 -0.47 -1.34 0.00 0.00 175.22 174.35 2wbj s TYR 123 N -1.71 -0.46 0.00 3.49 6.14 -0.86 -0.62 117.35 123.33 2wbj s TYR 123 Ca 0.28 1.08 0.00 0.00 0.64 0.00 0.00 57.07 59.08 2wbj s TYR 123 Cb -0.10 0.17 0.00 0.00 0.42 0.00 0.00 41.96 42.45 2wbj s TYR 123 CO 0.20 -0.24 0.00 -0.35 0.64 0.00 0.00 175.55 175.80 2wbj n PRO 124 N 3.25 0.21 -0.02 4.97 -0.05 -1.26 -0.64 135.00 141.46 2wbj n PRO 124 Ca -0.16 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.25 2wbj n PRO 124 Cb 0.57 0.00 0.19 0.00 -0.05 0.00 0.00 33.50 34.21 2wbj n PRO 124 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 175.50 176.23 2wbj h GLY 125 N 0.00 0.64 -5.34 0.55 0.00 -2.00 -3.45 103.07 93.48 2wbj h GLY 125 Ca 0.00 -0.48 -0.54 0.00 0.00 0.00 0.00 47.33 46.30 2wbj h GLY 125 CO 0.00 0.44 1.14 -1.35 0.00 0.00 0.00 176.54 176.77 2wbj s SER 126 N -6.76 6.58 0.03 0.19 1.04 -1.26 -4.97 113.70 108.55 2wbj s SER 126 Ca -0.08 2.35 -0.11 0.00 0.48 0.00 0.00 55.95 58.59 2wbj s SER 126 Cb 0.14 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.74 2wbj s SER 126 CO 0.80 -0.99 0.23 -0.51 0.98 0.00 0.00 173.24 173.75 2wbj s ILE 127 N 4.26 0.10 -0.29 -1.02 2.07 -1.26 -4.57 121.20 120.48 2wbj s ILE 127 Ca 0.78 -0.80 -0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2wbj s ILE 127 Cb -0.36 -0.87 0.09 0.00 0.13 0.00 0.00 42.46 41.45 2wbj s ILE 127 CO 0.33 -0.44 0.07 -0.70 -1.91 0.00 0.00 174.94 172.29 2wbj s GLU 128 N -2.41 0.89 -0.20 3.50 2.56 -0.68 -5.01 118.70 117.34 2wbj s GLU 128 Ca -0.06 -1.05 -0.08 0.00 0.00 0.00 0.00 54.97 53.78 2wbj s GLU 128 Cb -0.02 -2.19 -0.04 0.00 2.00 0.00 0.00 34.13 33.88 2wbj s GLU 128 CO -0.03 -0.89 0.08 0.08 -0.56 0.00 0.00 175.26 173.94 2wbj s VAL 129 N 1.56 4.83 -0.02 3.70 1.01 -1.26 -1.23 120.40 128.98 2wbj s VAL 129 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2wbj s VAL 129 Cb -0.18 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2wbj s VAL 129 CO -0.19 0.42 0.10 0.00 0.00 0.00 0.00 175.10 175.43 2wbj s ARG 130 N 0.66 0.25 -0.01 2.72 1.70 -0.64 -5.00 118.95 118.63 2wbj s ARG 130 Ca 0.04 -0.10 -0.07 0.00 -0.47 0.00 0.00 55.73 55.13 2wbj s ARG 130 Cb -0.13 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.31 2wbj s ARG 130 CO 0.01 -0.05 0.26 -1.58 -1.08 0.00 0.00 175.30 172.87 2wbj s TRP 131 N -0.55 3.59 0.01 5.89 0.52 -1.26 -1.19 118.94 125.96 2wbj s TRP 131 Ca -0.06 0.60 0.03 0.00 0.02 0.00 0.00 56.10 56.69 2wbj s TRP 131 Cb -0.04 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.26 2wbj s TRP 131 CO 0.00 0.64 -0.10 -0.06 0.02 0.00 0.00 176.95 177.45 2wbj s PHE 132 N -1.24 0.89 -0.16 -1.98 0.40 0.67 -2.30 117.98 114.25 2wbj s PHE 132 Ca 0.25 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.32 2wbj s PHE 132 Cb -0.13 -0.55 0.05 0.00 0.51 0.00 0.00 43.02 42.89 2wbj s PHE 132 CO 0.14 -0.01 0.00 -1.17 0.70 0.00 0.00 175.22 174.88 2wbj s LEU 133 N -0.62 1.24 -1.48 -0.37 2.96 0.45 -0.34 118.68 120.52 2wbj s LEU 133 Ca 0.01 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 2wbj s LEU 133 Cb -0.05 -0.67 0.02 0.00 0.50 0.00 0.00 46.19 45.98 2wbj s LEU 133 CO 0.00 -0.25 0.34 0.59 -1.32 0.00 0.00 176.35 175.72 2wbj n ASN 134 N 5.01 -5.28 0.00 3.68 4.13 -0.50 -2.08 115.26 120.21 2wbj n ASN 134 Ca -0.09 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.00 2wbj n ASN 134 Cb 0.48 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.37 2wbj n ASN 134 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wbj n GLY 135 N -1.22 2.09 3.79 7.41 0.00 -1.26 -5.05 105.19 110.94 2wbj n GLY 135 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2wbj n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wbj s GLN 136 N -0.64 4.26 -0.05 1.61 -1.52 -0.88 -5.06 119.66 117.37 2wbj s GLN 136 Ca 0.00 0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 53.86 2wbj s GLN 136 Cb 0.00 -3.29 -0.02 0.00 -0.22 0.00 0.00 33.01 29.48 2wbj s GLN 136 CO 0.00 0.50 0.94 -2.00 -0.25 0.00 0.00 175.29 174.48 2wbj s GLU 137 N -0.65 4.48 -1.02 2.91 2.12 -1.26 -0.41 118.70 124.88 2wbj s GLU 137 Ca 0.30 1.31 -0.19 0.00 0.36 0.00 0.00 54.97 56.75 2wbj s GLU 137 Cb -0.19 -3.49 0.12 0.00 0.26 0.00 0.00 34.13 30.82 2wbj s GLU 137 CO 0.18 -0.14 1.28 -1.21 -0.54 0.00 0.00 175.26 174.84 2wbj s GLU 138 N 1.38 3.70 0.07 4.30 0.41 -0.97 -4.87 118.70 122.70 2wbj s GLU 138 Ca 0.48 -1.77 -0.20 0.00 -0.41 0.00 0.00 54.97 53.07 2wbj s GLU 138 Cb -0.19 -5.08 -0.11 0.00 -1.78 0.00 0.00 34.13 26.97 2wbj s GLU 138 CO 0.22 -1.90 1.50 -0.22 -0.49 0.00 0.00 175.26 174.38 2wbj h LYS 139 N 8.70 0.33 -6.33 1.61 1.63 -1.94 -3.44 116.57 117.13 2wbj h LYS 139 Ca 0.21 -0.10 -0.62 0.00 -0.85 0.00 0.00 60.65 59.29 2wbj h LYS 139 Cb 0.99 -0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.48 2wbj h LYS 139 CO 1.22 0.53 -0.65 0.00 -3.45 0.00 0.00 179.45 177.10 2wbj s ALA 140 N -5.00 3.28 0.00 5.00 0.00 -1.26 -4.70 121.76 119.08 2wbj s ALA 140 Ca -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2wbj s ALA 140 Cb 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2wbj s ALA 140 CO 0.73 0.58 0.00 0.41 0.00 0.00 0.00 175.76 177.48 2wbj n GLY 141 N 0.16 1.36 2.99 0.00 0.00 -1.26 -5.04 105.19 103.40 2wbj n GLY 141 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2wbj n GLY 141 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wbj s MET 142 N -0.21 0.37 0.32 1.61 0.23 -1.26 -1.78 119.30 118.57 2wbj s MET 142 Ca 0.00 -0.47 0.08 0.00 -1.03 0.00 0.00 55.69 54.27 2wbj s MET 142 Cb 0.00 -0.17 -0.06 0.00 -1.53 0.00 0.00 34.83 33.06 2wbj s MET 142 CO 0.00 0.03 -0.07 0.54 -2.03 0.00 0.00 175.02 173.50 2wbj s VAL 143 N -0.89 1.92 0.09 5.16 0.11 0.20 -4.97 120.40 122.02 2wbj s VAL 143 Ca -0.07 -2.15 -0.08 0.00 -2.93 0.00 0.00 61.98 56.75 2wbj s VAL 143 Cb -0.07 -2.59 -0.01 0.00 -1.53 0.00 0.00 36.38 32.18 2wbj s VAL 143 CO -0.00 -0.22 0.17 -0.55 -3.33 0.00 0.00 175.10 171.17 2wbj s SER 144 N -3.54 0.16 0.13 3.54 0.15 -1.26 -0.19 113.70 112.68 2wbj s SER 144 Ca 0.32 -0.72 0.25 0.00 0.70 0.00 0.00 55.95 56.50 2wbj s SER 144 Cb 0.04 0.33 0.49 0.00 -1.71 0.00 0.00 66.02 65.17 2wbj s SER 144 CO 0.15 -0.73 1.46 0.35 1.20 0.00 0.00 173.24 175.66 2wbj n THR 145 N -0.05 0.38 -3.84 6.45 -2.24 -0.76 -5.02 114.28 109.21 2wbj n THR 145 Ca -0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2wbj n THR 145 Cb 0.62 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2wbj n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbj n GLY 146 N 1.34 -2.04 3.72 3.38 0.00 -1.26 -4.85 105.19 105.48 2wbj n GLY 146 Ca 0.04 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2wbj n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wbj s LEU 147 N 0.00 4.39 -0.18 0.99 2.96 -1.26 -4.53 118.68 121.05 2wbj s LEU 147 Ca 0.00 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.40 2wbj s LEU 147 Cb 0.00 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 43.37 2wbj s LEU 147 CO 0.00 -0.13 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.10 2wbj s ILE 148 N 0.57 1.94 0.01 6.68 1.01 -0.55 -5.01 121.20 125.86 2wbj s ILE 148 Ca 0.44 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 2wbj s ILE 148 Cb -0.20 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2wbj s ILE 148 CO 0.24 0.47 1.19 -1.10 0.00 0.00 0.00 174.94 175.74 2wbj s GLN 149 N 1.33 4.40 0.24 2.79 -0.21 -1.26 -1.35 119.66 125.60 2wbj s GLN 149 Ca 0.04 1.71 0.21 0.00 0.02 0.00 0.00 55.36 57.35 2wbj s GLN 149 Cb -0.14 -3.45 0.06 0.00 1.00 0.00 0.00 33.01 30.49 2wbj s GLN 149 CO -0.12 -0.33 1.17 -0.91 -2.12 0.00 0.00 175.29 172.97 2wbj h ASN 150 N 7.12 0.00 0.00 5.90 2.35 -1.75 -3.48 115.58 125.71 2wbj h ASN 150 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2wbj h ASN 150 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2wbj h ASN 150 CO 0.84 0.10 0.00 0.61 -1.65 0.00 0.00 177.43 177.33 2wbj n GLY 151 N 1.19 0.71 0.69 2.83 0.00 -1.26 -4.93 105.19 104.43 2wbj n GLY 151 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2wbj n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wbj n ASP 152 N 0.00 1.61 -2.14 1.61 5.75 -1.26 -4.94 116.55 117.18 2wbj n ASP 152 Ca 0.00 -3.44 -0.17 0.00 -0.01 0.00 0.00 54.79 51.17 2wbj n ASP 152 Cb 0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 41.12 39.63 2wbj n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2wbj n TRP 153 N -0.85 -1.13 -4.17 2.11 7.02 -1.26 -5.03 117.44 114.13 2wbj n TRP 153 Ca 0.16 0.18 -0.16 0.00 -1.02 0.00 0.00 57.50 56.66 2wbj n TRP 153 Cb 0.76 -3.56 -0.13 0.00 -2.42 0.00 0.00 31.31 25.96 2wbj n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2wbj s THR 154 N -2.93 0.64 0.35 -0.99 -4.23 -1.26 -4.67 115.64 102.56 2wbj s THR 154 Ca 0.11 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.93 2wbj s THR 154 Cb -0.05 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 2wbj s THR 154 CO 0.13 -0.11 0.28 -0.36 -0.54 0.00 0.00 174.62 174.02 2wbj s PHE 155 N -0.82 2.83 0.04 3.99 0.40 0.21 -1.97 117.98 122.67 2wbj s PHE 155 Ca -0.03 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 2wbj s PHE 155 Cb -0.07 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.63 2wbj s PHE 155 CO 0.00 0.15 0.32 1.14 0.70 0.00 0.00 175.22 177.53 2wbj s GLN 156 N -4.00 0.82 0.06 0.44 -2.07 -0.46 -0.98 119.66 113.47 2wbj s GLN 156 Ca 0.42 -0.47 -0.19 0.00 -1.82 0.00 0.00 55.36 53.30 2wbj s GLN 156 Cb -0.05 0.36 0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2wbj s GLN 156 CO 0.26 -0.26 0.44 -0.08 -1.32 0.00 0.00 175.29 174.33 2wbj s THR 157 N -2.48 0.05 -0.11 3.63 -1.32 -0.21 -1.48 115.64 113.72 2wbj s THR 157 Ca -0.05 -0.41 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 2wbj s THR 157 Cb -0.01 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2wbj s THR 157 CO -0.03 -0.23 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.24 2wbj s LEU 158 N -2.12 1.73 -0.24 9.08 1.02 -1.26 -1.78 118.68 125.10 2wbj s LEU 158 Ca -0.04 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.66 2wbj s LEU 158 Cb -0.00 -1.08 0.01 0.00 0.02 0.00 0.00 46.19 45.14 2wbj s LEU 158 CO -0.04 0.02 -0.04 -0.69 0.02 0.00 0.00 176.35 175.62 2wbj s VAL 159 N 0.95 3.10 -0.16 -1.59 1.01 -0.14 -1.83 120.40 121.75 2wbj s VAL 159 Ca -0.07 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2wbj s VAL 159 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2wbj s VAL 159 CO -0.01 0.26 -0.06 -0.04 0.00 0.00 0.00 175.10 175.25 2wbj s MET 160 N 1.39 3.58 -0.23 2.72 -1.94 0.73 -1.10 119.30 124.44 2wbj s MET 160 Ca 0.02 -0.56 -0.08 0.00 -1.71 0.00 0.00 55.69 53.36 2wbj s MET 160 Cb -0.16 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 2wbj s MET 160 CO -0.04 0.19 0.09 -1.17 -0.01 0.00 0.00 175.02 174.08 2wbj s LEU 161 N 0.47 3.66 -0.83 -0.03 2.96 0.99 -0.63 118.68 125.26 2wbj s LEU 161 Ca -0.05 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 2wbj s LEU 161 Cb -0.15 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.73 2wbj s LEU 161 CO 0.03 0.03 0.93 -1.83 -1.32 0.00 0.00 176.35 174.19 2wbj s GLU 162 N 1.23 3.49 -0.07 1.98 -1.05 -0.73 -0.17 118.70 123.37 2wbj s GLU 162 Ca 0.05 -1.88 -0.04 0.00 -0.15 0.00 0.00 54.97 52.94 2wbj s GLU 162 Cb -0.14 -4.62 0.03 0.00 -0.44 0.00 0.00 34.13 28.96 2wbj s GLU 162 CO 0.04 -1.58 0.18 0.95 0.95 0.00 0.00 175.26 175.80 2wbj s THR 163 N 1.91 -0.03 -0.35 1.83 -4.23 -1.26 -4.93 115.64 108.59 2wbj s THR 163 Ca 0.24 0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.57 2wbj s THR 163 Cb -0.10 -0.27 -0.01 0.00 1.34 0.00 0.00 72.50 73.46 2wbj s THR 163 CO -0.06 0.05 1.57 -0.69 -0.54 0.00 0.00 174.62 174.95 2wbj s VAL 164 N 0.82 3.74 0.28 2.29 1.01 -1.17 -4.43 120.40 122.94 2wbj s VAL 164 Ca -0.06 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 2wbj s VAL 164 Cb -0.08 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 2wbj s VAL 164 CO -0.04 -0.55 1.57 -2.65 0.00 0.00 0.00 175.10 173.42 2wbj n PRO 165 N 8.10 2.58 0.00 2.72 -0.02 -1.26 -4.99 135.00 142.13 2wbj n PRO 165 Ca 0.19 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 2wbj n PRO 165 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2wbj n PRO 165 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wbj n ARG 166 N 2.26 0.14 -3.86 -0.52 3.00 -1.26 -5.04 116.66 111.38 2wbj n ARG 166 Ca 0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.58 2wbj n ARG 166 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.68 2wbj n ARG 166 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2wbj s SER 167 N -1.24 4.87 0.00 0.55 0.15 -1.26 -4.69 113.70 112.07 2wbj s SER 167 Ca 0.00 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2wbj s SER 167 Cb 0.00 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2wbj s SER 167 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2wbj n GLY 168 N 4.72 3.34 7.00 9.45 0.00 -1.26 -5.13 105.19 123.30 2wbj n GLY 168 Ca -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wbj n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wbj n GLU 169 N 0.00 0.00 -2.98 1.61 -0.58 -1.26 -5.00 120.64 112.43 2wbj n GLU 169 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2wbj n GLU 169 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 2wbj n GLU 169 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wbj n VAL 170 N 0.00 -8.51 -3.07 2.62 0.31 -1.26 -4.31 118.33 104.11 2wbj n VAL 170 Ca 0.00 -0.86 -0.39 0.00 -0.01 0.00 0.00 64.34 63.08 2wbj n VAL 170 Cb 0.00 -6.25 -0.05 0.00 -0.91 0.00 0.00 33.84 26.62 2wbj n VAL 170 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2wbj s TYR 171 N -3.23 3.70 -0.04 3.52 1.51 -0.93 -1.41 117.35 120.46 2wbj s TYR 171 Ca 0.27 1.35 0.02 0.00 -1.01 0.00 0.00 57.07 57.70 2wbj s TYR 171 Cb -0.03 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.09 2wbj s TYR 171 CO 0.65 0.28 -0.09 0.99 -1.11 0.00 0.00 175.55 176.28 2wbj s THR 172 N -0.02 0.82 -0.22 -0.71 2.01 0.54 -0.46 115.64 117.60 2wbj s THR 172 Ca 0.36 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 2wbj s THR 172 Cb -0.19 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 2wbj s THR 172 CO 0.20 0.27 0.14 0.00 -0.69 0.00 0.00 174.62 174.54 2wbj s GLN 174 N 0.79 2.92 -0.27 0.00 0.74 -0.33 -1.76 119.66 121.75 2wbj s GLN 174 Ca 0.07 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.59 2wbj s GLN 174 Cb -0.13 -2.68 0.04 0.00 1.10 0.00 0.00 33.01 31.35 2wbj s GLN 174 CO 0.02 -0.27 -0.05 0.08 -0.55 0.00 0.00 175.29 174.52 2wbj s VAL 175 N 1.29 2.73 -0.03 1.34 1.01 0.50 -1.62 120.40 125.61 2wbj s VAL 175 Ca 0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 2wbj s VAL 175 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2wbj s VAL 175 CO -0.11 0.02 0.30 -1.61 0.00 0.00 0.00 175.10 173.70 2wbj s GLU 176 N 1.24 3.69 -0.16 2.72 2.02 -0.36 -1.04 118.70 126.80 2wbj s GLU 176 Ca -0.04 0.14 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 2wbj s GLU 176 Cb -0.19 -3.17 0.09 0.00 0.10 0.00 0.00 34.13 30.97 2wbj s GLU 176 CO -0.03 0.71 0.83 -1.58 0.02 0.00 0.00 175.26 175.20 2wbj s HIS 177 N -1.12 -0.58 0.43 1.61 2.46 -1.26 -1.69 115.29 115.14 2wbj s HIS 177 Ca 0.22 1.16 0.26 0.00 0.47 0.00 0.00 55.06 57.17 2wbj s HIS 177 Cb -0.14 0.38 1.30 0.00 -0.13 0.00 0.00 32.58 33.99 2wbj s HIS 177 CO 0.11 -0.43 1.70 -1.35 -2.47 0.00 0.00 174.74 172.30 2wbj h PRO 178 N 3.48 0.21 0.00 2.88 0.11 -1.94 -3.02 132.00 133.72 2wbj h PRO 178 Ca -0.25 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 2wbj h PRO 178 Cb 1.16 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wbj h PRO 178 CO 0.25 0.14 -0.16 0.66 -0.21 0.00 0.00 178.00 178.68 2wbj h SER 179 N 0.21 0.00 -4.46 -2.05 4.64 -1.88 -3.43 113.55 106.58 2wbj h SER 179 Ca 0.70 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 61.32 2wbj h SER 179 Cb 2.09 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.90 2wbj h SER 179 CO -0.32 0.16 -0.86 0.54 -0.87 0.00 0.00 176.83 175.48 2wbj s VAL 180 N -3.53 2.28 -0.13 0.95 0.11 -1.14 -4.85 120.40 114.10 2wbj s VAL 180 Ca 0.02 -1.05 0.26 0.00 -2.93 0.00 0.00 61.98 58.27 2wbj s VAL 180 Cb 0.09 -1.82 0.31 0.00 -1.53 0.00 0.00 36.38 33.42 2wbj s VAL 180 CO 0.63 0.56 1.75 0.71 -3.33 0.00 0.00 175.10 175.42 2wbj h THR 181 N 4.43 0.20 -3.39 5.04 1.35 -1.85 -3.44 112.91 115.25 2wbj h THR 181 Ca -0.44 -1.01 -0.16 0.00 -0.55 0.00 0.00 66.41 64.25 2wbj h THR 181 Cb 1.13 1.85 -0.24 0.00 -1.73 0.00 0.00 68.15 69.16 2wbj h THR 181 CO 0.47 0.10 -0.50 -0.94 -0.25 0.00 0.00 175.52 174.41 2wbj s SER 182 N -6.07 -0.09 0.46 5.36 1.04 -1.26 -5.14 113.70 108.00 2wbj s SER 182 Ca 0.04 0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.32 2wbj s SER 182 Cb 0.08 0.29 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 2wbj s SER 182 CO 0.63 -0.21 1.27 -2.65 0.98 0.00 0.00 173.24 173.26 2wbj n PRO 183 N 2.27 1.83 -2.88 4.02 -0.02 -1.26 -4.95 135.00 134.00 2wbj n PRO 183 Ca -0.17 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 2wbj n PRO 183 Cb 0.57 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 2wbj n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wbj s LEU 184 N -2.03 4.39 -0.04 2.45 1.43 -0.21 -4.86 118.68 119.82 2wbj s LEU 184 Ca 0.64 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.28 2wbj s LEU 184 Cb -0.48 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2wbj s LEU 184 CO 0.56 -0.12 -0.22 0.42 0.23 0.00 0.00 176.35 177.22 2wbj s THR 185 N 0.53 2.42 -0.07 5.49 -4.23 -1.26 -0.37 115.64 118.16 2wbj s THR 185 Ca 0.43 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 2wbj s THR 185 Cb -0.20 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.75 2wbj s THR 185 CO 0.24 0.58 -0.17 0.68 -0.54 0.00 0.00 174.62 175.41 2wbj s VAL 186 N -0.56 1.49 -0.05 2.29 -7.23 -0.72 -5.00 120.40 110.62 2wbj s VAL 186 Ca 0.08 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2wbj s VAL 186 Cb -0.11 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2wbj s VAL 186 CO 0.00 0.43 0.17 -1.61 -0.31 0.00 0.00 175.10 173.79 2wbj s GLU 187 N 0.41 3.44 -0.06 4.82 2.02 -1.26 -1.12 118.70 126.95 2wbj s GLU 187 Ca -0.13 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2wbj s GLU 187 Cb -0.15 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2wbj s GLU 187 CO 0.05 0.71 -0.00 -0.46 0.02 0.00 0.00 175.26 175.58 2wbj s TRP 188 N -1.23 0.62 -0.08 1.61 -0.00 0.40 -5.01 118.94 115.25 2wbj s TRP 188 Ca 0.23 -0.14 -0.03 0.00 -0.00 0.00 0.00 56.10 56.17 2wbj s TRP 188 Cb -0.12 -0.73 0.04 0.00 -0.00 0.00 0.00 33.47 32.65 2wbj s TRP 188 CO 0.14 -0.28 0.06 -0.98 -0.00 0.00 0.00 176.95 175.88 2wbj s ARG 189 N 1.73 0.09 0.00 5.86 1.70 -1.26 -2.20 118.95 124.88 2wbj s ARG 189 Ca 0.01 0.20 0.19 0.00 -0.47 0.00 0.00 55.73 55.66 2wbj s ARG 189 Cb -0.13 -0.93 1.13 0.00 -0.57 0.00 0.00 34.95 34.45 2wbj s ARG 189 CO -0.04 -0.41 1.52 0.00 -1.08 0.00 0.00 175.30 175.29