#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 s SER 2 N 0.00 4.83 -1.73 1.61 0.15 -1.26 -3.90 113.70 113.40 1wx6 s SER 2 Ca 0.00 -1.13 -0.17 0.00 0.70 0.00 0.00 55.95 55.34 1wx6 s SER 2 Cb 0.00 -2.58 0.16 0.00 -1.71 0.00 0.00 66.02 61.89 1wx6 s SER 2 CO 0.00 -3.18 0.64 -1.20 1.20 0.00 0.00 173.24 170.69 1wx6 n SER 3 N 15.06 -2.25 -4.24 5.45 7.64 -1.26 -4.92 113.62 129.09 1wx6 n SER 3 Ca 0.43 -1.11 -0.14 0.00 1.01 0.00 0.00 58.87 59.06 1wx6 n SER 3 Cb 0.46 -2.31 -0.10 0.00 -1.01 0.00 0.00 64.21 61.26 1wx6 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wx6 s GLY 4 N -3.45 1.09 -0.63 0.23 0.00 -1.25 -4.85 107.32 98.46 1wx6 s GLY 4 Ca 0.66 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 1wx6 s GLY 4 CO 0.96 -1.57 0.54 -1.26 0.00 0.00 0.00 173.10 171.78 1wx6 n SER 5 N -0.20 -3.60 -0.06 1.64 2.88 -1.26 -4.33 113.62 108.68 1wx6 n SER 5 Ca -0.10 -0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.14 1wx6 n SER 5 Cb 0.61 -2.66 -0.01 0.00 -0.75 0.00 0.00 64.21 61.40 1wx6 n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wx6 h SER 6 N -1.20 0.00 0.00 -3.46 0.02 -2.01 -3.50 113.55 103.41 1wx6 h SER 6 Ca -0.27 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1wx6 h SER 6 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1wx6 h SER 6 CO 0.26 0.69 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 1wx6 n GLY 7 N 1.67 -1.04 3.12 -3.77 0.00 -1.26 -5.04 105.19 98.87 1wx6 n GLY 7 Ca -0.05 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.44 1wx6 n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wx6 n LEU 8 N 0.00 -3.30 -4.36 0.99 7.94 -1.26 -5.02 117.00 111.99 1wx6 n LEU 8 Ca 0.00 -0.46 -0.31 0.00 -1.11 0.00 0.00 56.01 54.13 1wx6 n LEU 8 Cb 0.00 -2.57 -0.15 0.00 0.53 0.00 0.00 43.42 41.23 1wx6 n LEU 8 CO 0.00 0.46 -0.54 -0.55 -1.11 0.00 0.00 177.39 175.65 1wx6 s SER 9 N -3.53 3.30 1.03 1.96 0.15 -1.26 -5.12 113.70 110.22 1wx6 s SER 9 Ca 0.32 -0.45 -0.18 0.00 0.70 0.00 0.00 55.95 56.34 1wx6 s SER 9 Cb -0.14 -0.43 0.06 0.00 -1.71 0.00 0.00 66.02 63.80 1wx6 s SER 9 CO 0.59 0.30 -0.20 -3.20 1.20 0.00 0.00 173.24 171.93 1wx6 n ASN 10 N 2.17 -2.70 -0.95 5.45 5.15 -1.26 -5.04 115.26 118.08 1wx6 n ASN 10 Ca -0.16 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1wx6 n ASN 10 Cb 0.52 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1wx6 n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wx6 n GLY 11 N 2.52 5.87 3.19 8.20 0.00 -1.26 -5.11 105.19 118.60 1wx6 n GLY 11 Ca 0.02 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 1wx6 n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wx6 s GLN 12 N -0.51 2.35 -1.21 1.61 -0.21 -1.26 -4.68 119.66 115.75 1wx6 s GLN 12 Ca 0.00 -1.73 -0.02 0.00 0.02 0.00 0.00 55.36 53.62 1wx6 s GLN 12 Cb 0.00 -3.79 -0.01 0.00 1.00 0.00 0.00 33.01 30.21 1wx6 s GLN 12 CO 0.00 -1.12 0.86 0.41 -2.12 0.00 0.00 175.29 173.32 1wx6 n GLY 13 N 4.81 -0.50 3.53 3.09 0.00 -1.26 -5.00 105.19 109.86 1wx6 n GLY 13 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wx6 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx6 s SER 14 N -4.15 -0.99 0.46 1.61 1.04 -1.26 -5.11 113.70 105.30 1wx6 s SER 14 Ca 0.11 1.28 0.03 0.00 0.48 0.00 0.00 55.95 57.85 1wx6 s SER 14 Cb -0.02 2.09 -0.04 0.00 0.10 0.00 0.00 66.02 68.15 1wx6 s SER 14 CO 0.77 -0.19 0.02 -0.13 0.98 0.00 0.00 173.24 174.70 1wx6 s ARG 15 N 2.77 2.07 -0.20 4.02 1.81 -1.26 -4.48 118.95 123.68 1wx6 s ARG 15 Ca -0.03 -2.27 -0.29 0.00 -1.72 0.00 0.00 55.73 51.42 1wx6 s ARG 15 Cb -0.10 -1.42 -0.02 0.00 -0.45 0.00 0.00 34.95 32.95 1wx6 s ARG 15 CO -0.19 -0.28 1.47 0.08 -0.68 0.00 0.00 175.30 175.71 1wx6 s VAL 16 N -2.89 3.92 -0.13 3.52 1.01 -1.26 -4.44 120.40 120.12 1wx6 s VAL 16 Ca 0.18 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 63.15 1wx6 s VAL 16 Cb 0.04 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1wx6 s VAL 16 CO 0.09 -0.26 -0.12 -0.07 0.00 0.00 0.00 175.10 174.74 1wx6 h LEU 17 N 10.81 0.00 -7.23 3.92 3.38 -1.25 -3.41 115.31 121.52 1wx6 h LEU 17 Ca -0.31 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1wx6 h LEU 17 Cb 1.13 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.64 1wx6 h LEU 17 CO 0.99 0.70 -0.22 -1.00 0.09 0.00 0.00 178.44 179.00 1wx6 s HIS 18 N -2.06 -0.57 -0.20 1.13 3.76 -1.25 -2.39 115.29 113.71 1wx6 s HIS 18 Ca -0.11 1.30 -0.26 0.00 -0.15 0.00 0.00 55.06 55.84 1wx6 s HIS 18 Cb 0.02 0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.93 1wx6 s HIS 18 CO 0.17 -0.30 0.87 0.08 -0.85 0.00 0.00 174.74 174.71 1wx6 s VAL 19 N 0.78 4.84 0.35 -0.90 1.01 -1.21 -1.59 120.40 123.67 1wx6 s VAL 19 Ca -0.04 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.71 1wx6 s VAL 19 Cb -0.05 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1wx6 s VAL 19 CO -0.06 -0.03 -0.05 0.68 0.00 0.00 0.00 175.10 175.64 1wx6 s VAL 20 N 2.49 2.05 0.23 2.92 -7.23 -1.12 -0.82 120.40 118.92 1wx6 s VAL 20 Ca 0.39 -2.13 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1wx6 s VAL 20 Cb -0.16 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 1wx6 s VAL 20 CO 0.10 -0.15 -0.10 -1.58 -0.31 0.00 0.00 175.10 173.06 1wx6 s GLN 21 N -3.67 1.39 -0.34 4.82 0.74 -0.22 -1.85 119.66 120.54 1wx6 s GLN 21 Ca 0.33 -1.66 -0.10 0.00 0.05 0.00 0.00 55.36 53.98 1wx6 s GLN 21 Cb 0.05 -1.07 0.01 0.00 1.10 0.00 0.00 33.01 33.10 1wx6 s GLN 21 CO 0.16 0.11 0.17 0.95 -0.55 0.00 0.00 175.29 176.13 1wx6 s THR 22 N -3.04 4.51 0.08 -0.34 -4.23 0.24 -1.77 115.64 111.10 1wx6 s THR 22 Ca 0.25 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.95 1wx6 s THR 22 Cb 0.01 -3.41 -0.21 0.00 1.34 0.00 0.00 72.50 70.23 1wx6 s THR 22 CO 0.08 -0.08 1.23 -0.07 -0.54 0.00 0.00 174.62 175.24 1wx6 h LEU 23 N 8.38 0.93 -8.67 4.79 3.38 -1.77 0.03 115.31 122.38 1wx6 h LEU 23 Ca -0.29 -0.70 -0.59 0.00 0.09 0.00 0.00 57.88 56.39 1wx6 h LEU 23 Cb 1.12 -0.28 -0.23 0.00 0.09 0.00 0.00 40.66 41.36 1wx6 h LEU 23 CO 0.64 1.51 -0.84 -0.31 0.09 0.00 0.00 178.44 179.53 1wx6 s TYR 24 N -3.45 1.89 0.13 1.13 1.51 -1.25 -4.48 117.35 112.81 1wx6 s TYR 24 Ca -0.10 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.25 1wx6 s TYR 24 Cb 0.07 -1.06 -0.08 0.00 -0.11 0.00 0.00 41.96 40.79 1wx6 s TYR 24 CO 0.92 0.19 1.35 -1.25 -1.11 0.00 0.00 175.55 175.65 1wx6 s PRO 25 N -1.70 4.35 -0.04 -1.71 0.04 -1.26 -4.58 135.00 130.09 1wx6 s PRO 25 Ca 0.08 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 1wx6 s PRO 25 Cb -0.10 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.23 1wx6 s PRO 25 CO 0.04 -0.38 0.05 0.12 0.04 0.00 0.00 177.00 176.87 1wx6 s PHE 26 N 0.87 0.10 -0.16 0.56 2.19 -1.20 -4.91 117.98 115.44 1wx6 s PHE 26 Ca 0.62 0.21 -0.05 0.00 0.33 0.00 0.00 56.93 58.04 1wx6 s PHE 26 Cb -0.36 -0.48 -0.04 0.00 -1.31 0.00 0.00 43.02 40.84 1wx6 s PHE 26 CO 0.32 -0.19 0.02 -1.54 1.83 0.00 0.00 175.22 175.66 1wx6 s SER 27 N 2.03 5.31 -0.46 6.13 1.04 -1.26 -1.04 113.70 125.45 1wx6 s SER 27 Ca 0.03 0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 1wx6 s SER 27 Cb -0.12 -1.85 0.03 0.00 0.10 0.00 0.00 66.02 64.18 1wx6 s SER 27 CO -0.03 0.20 0.77 -0.94 0.98 0.00 0.00 173.24 174.22 1wx6 s SER 28 N 0.18 6.39 0.55 7.02 1.04 -1.17 -4.90 113.70 122.82 1wx6 s SER 28 Ca 0.02 -0.19 0.33 0.00 0.48 0.00 0.00 55.95 56.59 1wx6 s SER 28 Cb -0.13 -2.38 1.81 0.00 0.10 0.00 0.00 66.02 65.42 1wx6 s SER 28 CO 0.01 -0.91 2.01 0.58 0.98 0.00 0.00 173.24 175.91 1wx6 h VAL 29 N 5.96 0.00 -4.65 5.02 2.07 -1.92 -3.43 116.25 119.30 1wx6 h VAL 29 Ca -0.25 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 66.79 1wx6 h VAL 29 Cb 1.09 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 31.48 1wx6 h VAL 29 CO 0.96 0.00 -0.41 1.07 0.02 0.00 0.00 177.57 179.21 1wx6 n THR 30 N -2.74 0.00 0.01 2.57 5.66 -1.26 -5.07 114.28 113.45 1wx6 n THR 30 Ca -0.02 -2.12 -0.18 0.00 -3.05 0.00 0.00 64.05 58.68 1wx6 n THR 30 Cb 0.15 0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 69.66 1wx6 n THR 30 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1wx6 h GLU 31 N 0.00 0.54 -0.95 1.09 4.39 -1.98 -3.31 114.58 114.36 1wx6 h GLU 31 Ca -0.26 -0.56 0.18 0.00 0.34 0.00 0.00 59.36 59.06 1wx6 h GLU 31 Cb 1.07 0.15 -0.17 0.00 -0.10 0.00 0.00 28.75 29.70 1wx6 h GLU 31 CO 0.41 1.18 -0.28 0.93 -1.16 0.00 0.00 179.01 180.10 1wx6 h GLU 32 N 0.12 -0.01 -7.42 2.33 5.08 -1.96 -3.41 114.58 109.31 1wx6 h GLU 32 Ca -0.09 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.81 1wx6 h GLU 32 Cb 1.43 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.77 1wx6 h GLU 32 CO 0.15 -0.00 0.30 -1.21 -1.00 0.00 0.00 179.01 177.24 1wx6 s GLU 33 N -6.17 2.14 -0.00 2.33 2.02 -1.25 0.21 118.70 117.97 1wx6 s GLU 33 Ca -0.15 -0.10 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 1wx6 s GLU 33 Cb 0.24 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 1wx6 s GLU 33 CO 0.76 -1.36 0.07 -0.51 0.02 0.00 0.00 175.26 174.24 1wx6 s LEU 34 N -5.37 3.86 -0.23 1.80 1.43 -1.23 -4.53 118.68 114.42 1wx6 s LEU 34 Ca 0.61 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1wx6 s LEU 34 Cb -0.11 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1wx6 s LEU 34 CO 0.46 0.27 -0.06 0.54 0.23 0.00 0.00 176.35 177.80 1wx6 s ASN 35 N -1.73 4.21 0.18 2.29 2.20 -1.26 -3.02 114.94 117.80 1wx6 s ASN 35 Ca 0.23 -0.53 0.02 0.00 -0.94 0.00 0.00 52.86 51.63 1wx6 s ASN 35 Cb -0.12 -1.70 -0.01 0.00 -2.00 0.00 0.00 41.25 37.42 1wx6 s ASN 35 CO 0.14 -0.05 0.19 2.22 -2.94 0.00 0.00 177.10 176.66 1wx6 n PHE 36 N 4.76 -0.65 -4.47 1.54 -1.74 -0.21 -4.92 117.46 111.77 1wx6 n PHE 36 Ca -0.18 -1.36 -0.23 0.00 -0.56 0.00 0.00 57.45 55.12 1wx6 n PHE 36 Cb 0.50 0.21 -0.09 0.00 1.52 0.00 0.00 39.48 41.62 1wx6 n PHE 36 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1wx6 s GLU 37 N -2.58 1.79 0.16 3.97 2.02 -1.26 -3.24 118.70 119.56 1wx6 s GLU 37 Ca 0.18 -2.06 -0.32 0.00 0.02 0.00 0.00 54.97 52.80 1wx6 s GLU 37 Cb 0.00 -0.63 -0.11 0.00 0.10 0.00 0.00 34.13 33.50 1wx6 s GLU 37 CO 0.13 -0.38 1.67 0.21 0.02 0.00 0.00 175.26 176.91 1wx6 s LYS 38 N -3.80 4.17 -0.28 1.61 2.20 -1.26 -3.06 119.74 119.33 1wx6 s LYS 38 Ca 0.29 2.48 -0.00 0.00 -0.36 0.00 0.00 55.97 58.38 1wx6 s LYS 38 Cb 0.05 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1wx6 s LYS 38 CO 0.15 -0.71 0.23 0.41 -0.36 0.00 0.00 175.35 175.07 1wx6 n GLY 39 N 3.93 0.29 3.43 5.54 0.00 -0.00 -4.96 105.19 113.42 1wx6 n GLY 39 Ca 0.15 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1wx6 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wx6 s GLU 40 N -4.41 2.65 0.02 1.61 2.56 -1.17 -4.91 118.70 115.05 1wx6 s GLU 40 Ca 0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 54.97 54.23 1wx6 s GLU 40 Cb -0.01 -2.39 -0.04 0.00 2.00 0.00 0.00 34.13 33.69 1wx6 s GLU 40 CO 0.17 0.52 0.22 0.99 -0.56 0.00 0.00 175.26 176.60 1wx6 s THR 41 N -0.48 5.37 0.20 -1.70 2.01 -1.26 -0.59 115.64 119.20 1wx6 s THR 41 Ca 0.06 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1wx6 s THR 41 Cb -0.12 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1wx6 s THR 41 CO 0.02 0.26 0.31 0.23 -0.69 0.00 0.00 174.62 174.75 1wx6 n MET 42 N 0.75 0.44 -3.76 4.92 2.81 -0.77 -4.77 117.12 116.74 1wx6 n MET 42 Ca -0.09 -1.49 -0.14 0.00 -1.81 0.00 0.00 57.70 54.17 1wx6 n MET 42 Cb 0.52 1.51 -0.15 0.00 -0.71 0.00 0.00 33.22 34.39 1wx6 n MET 42 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1wx6 s GLU 43 N -2.36 0.05 -0.38 0.03 8.01 -1.26 -2.78 118.70 120.00 1wx6 s GLU 43 Ca 0.15 0.30 -0.29 0.00 0.01 0.00 0.00 54.97 55.14 1wx6 s GLU 43 Cb -0.01 -0.20 0.01 0.00 -4.31 0.00 0.00 34.13 29.62 1wx6 s GLU 43 CO 0.10 -0.16 1.44 0.08 0.01 0.00 0.00 175.26 176.73 1wx6 s VAL 44 N 1.12 3.89 -0.01 2.63 1.01 -0.62 -3.15 120.40 125.27 1wx6 s VAL 44 Ca -0.09 0.92 0.09 0.00 0.00 0.00 0.00 61.98 62.91 1wx6 s VAL 44 Cb -0.12 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 1wx6 s VAL 44 CO -0.05 -0.68 0.80 0.16 0.00 0.00 0.00 175.10 175.33 1wx6 h ILE 45 N 6.42 1.05 -3.01 2.22 3.07 -1.43 0.23 117.51 126.06 1wx6 h ILE 45 Ca -0.28 -2.85 -0.00 0.00 1.55 0.00 0.00 64.86 63.28 1wx6 h ILE 45 Cb 1.11 2.54 -0.10 0.00 -0.27 0.00 0.00 36.82 40.10 1wx6 h ILE 45 CO 1.07 0.64 0.21 -0.70 -1.05 0.00 0.00 178.15 178.32 1wx6 s GLU 46 N -2.62 1.39 -0.19 0.16 2.12 -1.18 -4.47 118.70 113.90 1wx6 s GLU 46 Ca -0.05 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 1wx6 s GLU 46 Cb 0.08 0.59 0.06 0.00 0.26 0.00 0.00 34.13 35.12 1wx6 s GLU 46 CO 0.82 -0.62 0.00 0.15 -0.54 0.00 0.00 175.26 175.08 1wx6 s LYS 47 N -3.79 0.94 -0.17 4.30 1.02 -1.26 -1.77 119.74 119.01 1wx6 s LYS 47 Ca 0.03 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 1wx6 s LYS 47 Cb -0.02 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1wx6 s LYS 47 CO -0.09 -0.58 1.57 -1.25 -0.92 0.00 0.00 175.35 174.09 1wx6 s PRO 48 N 1.75 3.97 0.07 -1.68 0.04 -1.26 -4.93 135.00 132.95 1wx6 s PRO 48 Ca -0.01 1.81 -0.33 0.00 0.04 0.00 0.00 61.00 62.50 1wx6 s PRO 48 Cb -0.17 -3.98 -0.19 0.00 0.04 0.00 0.00 34.50 30.20 1wx6 s PRO 48 CO -0.07 -1.08 1.62 1.49 0.04 0.00 0.00 177.00 179.00 1wx6 h GLU 49 N 10.03 -0.89 -0.97 4.56 4.57 -1.99 -3.05 114.58 126.84 1wx6 h GLU 49 Ca -0.34 0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1wx6 h GLU 49 Cb 1.15 0.20 -0.15 0.00 -0.16 0.00 0.00 28.75 29.79 1wx6 h GLU 49 CO 0.98 -0.59 -0.39 0.09 -1.18 0.00 0.00 179.01 177.92 1wx6 n ASN 50 N -5.49 -0.66 -4.19 1.04 3.02 -1.26 -2.67 115.26 105.05 1wx6 n ASN 50 Ca -0.14 1.70 -0.40 0.00 -0.03 0.00 0.00 54.58 55.71 1wx6 n ASN 50 Cb 0.37 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1wx6 n ASN 50 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wx6 s ASP 51 N -5.36 6.21 0.52 6.41 1.01 -1.16 -4.88 116.67 119.43 1wx6 s ASP 51 Ca -0.13 -3.26 0.33 0.00 0.71 0.00 0.00 52.55 50.20 1wx6 s ASP 51 Cb 0.19 -2.01 1.37 0.00 1.01 0.00 0.00 42.92 43.48 1wx6 s ASP 51 CO 0.69 -0.33 1.97 1.55 0.21 0.00 0.00 175.17 179.26 1wx6 h PRO 52 N 6.77 0.00 0.00 8.23 0.13 -1.51 -2.44 132.00 143.17 1wx6 h PRO 52 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1wx6 h PRO 52 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wx6 h PRO 52 CO 0.82 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 1wx6 n GLU 53 N -2.99 0.21 -4.39 0.86 1.02 -1.26 -4.79 120.64 109.30 1wx6 n GLU 53 Ca 0.01 0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 1wx6 n GLU 53 Cb 0.29 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1wx6 n GLU 53 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wx6 s TRP 54 N -2.77 2.16 0.06 -0.32 0.52 -0.92 -3.24 118.94 114.42 1wx6 s TRP 54 Ca 0.20 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.97 1wx6 s TRP 54 Cb 0.18 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 1wx6 s TRP 54 CO 0.46 0.44 -0.11 -1.58 0.02 0.00 0.00 176.95 176.18 1wx6 s TRP 55 N -1.74 0.97 -0.36 -1.98 0.51 0.62 -4.48 118.94 112.48 1wx6 s TRP 55 Ca 0.19 -0.48 -0.16 0.00 -2.12 0.00 0.00 56.10 53.53 1wx6 s TRP 55 Cb -0.07 -0.56 -0.00 0.00 -0.81 0.00 0.00 33.47 32.02 1wx6 s TRP 55 CO 0.09 -0.01 0.38 0.21 -0.51 0.00 0.00 176.95 177.12 1wx6 s LYS 56 N -1.66 3.44 0.24 4.98 2.20 -0.73 -0.28 119.74 127.93 1wx6 s LYS 56 Ca -0.05 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1wx6 s LYS 56 Cb -0.10 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1wx6 s LYS 56 CO 0.01 -0.61 0.04 0.00 -0.36 0.00 0.00 175.35 174.44 1wx6 s LYS 58 N -3.94 3.04 0.82 0.00 2.20 -1.19 -2.78 119.74 117.88 1wx6 s LYS 58 Ca 0.32 -0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 54.96 1wx6 s LYS 58 Cb 0.07 -2.44 0.18 0.00 -1.51 0.00 0.00 37.83 34.14 1wx6 s LYS 58 CO 0.10 0.01 1.11 0.27 -0.36 0.00 0.00 175.35 176.48 1wx6 n ASN 59 N 4.01 0.29 0.13 1.43 0.23 -0.82 -4.17 115.26 116.36 1wx6 n ASN 59 Ca -0.20 -1.53 0.14 0.00 -0.53 0.00 0.00 54.58 52.47 1wx6 n ASN 59 Cb 0.52 -0.83 0.67 0.00 -2.08 0.00 0.00 39.78 38.06 1wx6 n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wx6 h ALA 60 N -1.59 2.23 0.00 -2.53 0.00 -1.91 0.25 119.26 115.70 1wx6 h ALA 60 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wx6 h ALA 60 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wx6 h ALA 60 CO 0.27 -0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1wx6 n ARG 61 N -4.43 0.74 -1.24 0.00 5.12 -1.26 -4.83 116.66 110.76 1wx6 n ARG 61 Ca 0.03 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.87 1wx6 n ARG 61 Cb 0.35 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 1wx6 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wx6 n GLY 62 N 0.44 0.96 3.85 -0.13 0.00 0.87 -4.99 105.19 106.19 1wx6 n GLY 62 Ca 0.15 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1wx6 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wx6 s GLN 63 N -2.42 3.76 0.06 1.61 -1.52 -1.26 -4.84 119.66 115.05 1wx6 s GLN 63 Ca 0.00 0.23 0.03 0.00 -1.95 0.00 0.00 55.36 53.66 1wx6 s GLN 63 Cb 0.00 -3.19 -0.04 0.00 -0.22 0.00 0.00 33.01 29.56 1wx6 s GLN 63 CO 0.00 0.71 0.06 0.14 -0.25 0.00 0.00 175.29 175.94 1wx6 s VAL 64 N -1.10 4.44 0.05 1.09 -7.23 -1.26 -1.95 120.40 114.44 1wx6 s VAL 64 Ca 0.22 -0.73 -0.07 0.00 -1.81 0.00 0.00 61.98 59.60 1wx6 s VAL 64 Cb -0.15 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.71 1wx6 s VAL 64 CO 0.11 0.19 0.33 0.61 -0.31 0.00 0.00 175.10 176.03 1wx6 n GLY 65 N 0.69 1.06 3.48 2.32 0.00 -1.12 -4.86 105.19 106.76 1wx6 n GLY 65 Ca -0.10 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1wx6 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx6 s LEU 66 N 0.00 4.86 -0.08 0.99 1.43 0.13 -3.14 118.68 122.87 1wx6 s LEU 66 Ca 0.07 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1wx6 s LEU 66 Cb -0.01 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1wx6 s LEU 66 CO 0.02 -0.61 -0.09 0.54 0.23 0.00 0.00 176.35 176.44 1wx6 s VAL 67 N 2.20 3.50 -0.09 -1.59 0.11 0.61 -3.52 120.40 121.61 1wx6 s VAL 67 Ca 0.13 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 1wx6 s VAL 67 Cb -0.17 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 1wx6 s VAL 67 CO 0.14 0.58 1.52 -2.16 -3.33 0.00 0.00 175.10 171.84 1wx6 s PRO 68 N -0.55 4.20 0.31 1.54 0.04 -1.26 -0.28 135.00 139.00 1wx6 s PRO 68 Ca 0.08 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 1wx6 s PRO 68 Cb -0.12 -3.91 0.48 0.00 0.04 0.00 0.00 34.50 30.99 1wx6 s PRO 68 CO 0.02 -0.80 1.93 1.57 0.04 0.00 0.00 177.00 179.77 1wx6 h LYS 69 N 9.07 0.94 -0.20 4.56 2.10 -1.88 -1.44 116.57 129.72 1wx6 h LYS 69 Ca -0.35 -0.10 0.06 0.00 -2.00 0.00 0.00 60.65 58.27 1wx6 h LYS 69 Cb 1.15 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.28 1wx6 h LYS 69 CO 0.96 0.69 0.31 -0.91 -2.00 0.00 0.00 179.45 178.50 1wx6 h ASN 70 N 0.95 0.00 0.67 7.07 4.21 -1.91 0.23 115.58 126.81 1wx6 h ASN 70 Ca 0.24 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.57 1wx6 h ASN 70 Cb 0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 1wx6 h ASN 70 CO -0.04 0.00 -1.45 -1.22 -1.29 0.00 0.00 177.43 173.43 1wx6 n TYR 71 N -3.48 0.98 -3.63 1.19 4.02 -0.56 -4.95 117.16 110.73 1wx6 n TYR 71 Ca 0.02 0.33 -0.22 0.00 -0.01 0.00 0.00 57.90 58.03 1wx6 n TYR 71 Cb 0.43 -1.10 0.02 0.00 -0.02 0.00 0.00 39.34 38.67 1wx6 n TYR 71 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1wx6 n VAL 72 N -2.90 0.00 -3.65 -0.72 0.24 0.82 -2.13 118.33 109.98 1wx6 n VAL 72 Ca -0.11 -1.88 -0.14 0.00 -2.04 0.00 0.00 64.34 60.17 1wx6 n VAL 72 Cb 0.86 -0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 1wx6 n VAL 72 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1wx6 s VAL 73 N -2.37 0.00 -0.26 3.34 -7.23 -0.73 -4.86 120.40 108.30 1wx6 s VAL 73 Ca 0.35 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 1wx6 s VAL 73 Cb -0.03 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.08 1wx6 s VAL 73 CO 0.22 -0.02 1.08 -0.69 -0.31 0.00 0.00 175.10 175.38 1wx6 s VAL 74 N -0.02 4.58 -0.14 1.32 1.01 -1.26 -1.05 120.40 124.83 1wx6 s VAL 74 Ca -0.03 1.87 -0.12 0.00 0.00 0.00 0.00 61.98 63.71 1wx6 s VAL 74 Cb -0.04 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 1wx6 s VAL 74 CO 0.02 -0.29 0.09 -0.07 0.00 0.00 0.00 175.10 174.86 1wx6 h LEU 75 N 9.73 0.00 -8.92 3.92 3.38 -1.33 -3.49 115.31 118.60 1wx6 h LEU 75 Ca -0.20 -0.25 -0.41 0.00 0.09 0.00 0.00 57.88 57.11 1wx6 h LEU 75 Cb 1.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 1wx6 h LEU 75 CO 1.00 0.85 -0.68 -0.44 0.09 0.00 0.00 178.44 179.25 1wx6 s SER 76 N -5.96 2.19 -1.11 -0.43 0.01 -1.22 -5.06 113.70 102.13 1wx6 s SER 76 Ca -0.13 -1.15 -0.15 0.00 1.31 0.00 0.00 55.95 55.83 1wx6 s SER 76 Cb 0.01 -0.06 0.16 0.00 0.21 0.00 0.00 66.02 66.34 1wx6 s SER 76 CO 0.29 -0.39 1.31 -1.81 0.41 0.00 0.00 173.24 173.05 1wx6 s ASP 77 N -3.32 6.93 0.00 2.44 1.11 -1.26 -3.34 116.67 119.23 1wx6 s ASP 77 Ca 0.26 -2.70 0.00 0.00 0.18 0.00 0.00 52.55 50.28 1wx6 s ASP 77 Cb 0.04 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.64 1wx6 s ASP 77 CO 0.08 -0.83 0.00 0.61 1.18 0.00 0.00 175.17 176.21 1wx6 n GLY 78 N 4.50 -2.62 0.00 0.21 0.00 -1.01 -4.41 105.19 101.87 1wx6 n GLY 78 Ca 0.32 -2.03 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1wx6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wx6 n PRO 79 N -0.03 0.49 -3.91 1.61 -0.04 -1.26 -4.23 135.00 127.63 1wx6 n PRO 79 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1wx6 n PRO 79 Cb 0.00 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1wx6 n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx6 n ALA 80 N -0.91 -1.76 -2.62 0.55 0.00 -1.26 -4.97 120.51 109.54 1wx6 n ALA 80 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1wx6 n ALA 80 Cb 0.04 -2.50 -0.11 0.00 0.00 0.00 0.00 19.45 16.88 1wx6 n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wx6 s LEU 81 N -6.99 2.34 0.18 0.00 1.43 -1.26 -5.12 118.68 109.27 1wx6 s LEU 81 Ca 0.24 -0.71 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 1wx6 s LEU 81 Cb -0.12 0.03 -0.14 0.00 0.03 0.00 0.00 46.19 45.99 1wx6 s LEU 81 CO 0.86 -0.37 0.38 1.57 0.23 0.00 0.00 176.35 179.02 1wx6 n HIS 82 N 0.96 -0.53 0.64 0.29 -0.00 -1.26 -4.77 115.22 110.55 1wx6 n HIS 82 Ca -0.19 0.76 0.07 0.00 0.46 0.00 0.00 57.72 58.81 1wx6 n HIS 82 Cb 0.57 -1.57 0.35 0.00 -0.12 0.00 0.00 29.99 29.22 1wx6 n HIS 82 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1wx6 n PRO 83 N 0.84 0.15 -1.19 1.57 -0.04 -1.26 -4.87 135.00 130.20 1wx6 n PRO 83 Ca 0.14 0.18 -0.37 0.00 -0.04 0.00 0.00 63.50 63.40 1wx6 n PRO 83 Cb 0.22 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1wx6 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx6 n ALA 84 N -1.34 -2.96 -0.07 0.55 0.00 -1.26 -4.93 120.51 110.49 1wx6 n ALA 84 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1wx6 n ALA 84 Cb 0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1wx6 n ALA 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wx6 h HIS 85 N 0.06 0.00 -3.91 0.00 2.76 -2.02 -3.48 115.15 108.56 1wx6 h HIS 85 Ca -0.38 0.00 -0.45 0.00 -2.20 0.00 0.00 60.37 57.34 1wx6 h HIS 85 Cb 1.37 0.00 0.15 0.00 1.55 0.00 0.00 27.41 30.47 1wx6 h HIS 85 CO 0.23 0.30 0.39 -1.54 -1.30 0.00 0.00 177.93 176.01 1wx6 s SER 86 N -5.88 3.43 0.00 3.26 1.04 -1.26 -5.09 113.70 109.20 1wx6 s SER 86 Ca -0.13 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1wx6 s SER 86 Cb 0.01 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1wx6 s SER 86 CO 0.24 -2.53 0.00 0.61 0.98 0.00 0.00 173.24 172.54 1wx6 n GLY 87 N -3.61 0.57 3.64 7.32 0.00 -1.26 -5.11 105.19 106.75 1wx6 n GLY 87 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1wx6 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx6 s PRO 88 N 0.57 -0.31 -0.23 1.61 0.04 -1.26 -5.03 135.00 130.39 1wx6 s PRO 88 Ca 0.00 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 1wx6 s PRO 88 Cb 0.00 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.74 1wx6 s PRO 88 CO 0.00 -3.17 -0.26 -1.13 0.04 0.00 0.00 177.00 172.48 1wx6 n SER 89 N -4.44 1.94 -4.77 6.66 3.41 -1.26 -4.99 113.62 110.17 1wx6 n SER 89 Ca 0.08 0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.44 1wx6 n SER 89 Cb 0.58 -0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1wx6 n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wx6 s SER 90 N -6.70 5.90 0.00 4.04 0.01 -1.26 -5.28 113.70 110.40 1wx6 s SER 90 Ca -0.32 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.20 1wx6 s SER 90 Cb 0.11 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1wx6 s SER 90 CO 0.46 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.62