#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 6.74 -0.62 1.61 1.04 -1.26 -4.89 113.70 116.32 1wx6 s SER 2 Ca 0.00 2.15 -0.26 0.00 0.48 0.00 0.00 55.95 58.32 1wx6 s SER 2 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 1wx6 s SER 2 CO 0.00 -0.86 2.29 -0.44 0.98 0.00 0.00 173.24 175.21 1wx6 s SER 3 N 2.80 4.48 -0.37 7.02 0.01 -1.26 -4.77 113.70 121.61 1wx6 s SER 3 Ca 0.69 0.57 -0.02 0.00 1.31 0.00 0.00 55.95 58.50 1wx6 s SER 3 Cb -0.32 -2.52 0.19 0.00 0.21 0.00 0.00 66.02 63.58 1wx6 s SER 3 CO 0.27 -3.05 0.88 -0.83 0.41 0.00 0.00 173.24 170.92 1wx6 s GLY 4 N 10.91 -1.46 -0.04 3.44 0.00 -1.26 -5.15 107.32 113.76 1wx6 s GLY 4 Ca 0.89 0.74 0.07 0.00 0.00 0.00 0.00 44.72 46.42 1wx6 s GLY 4 CO 0.19 4.04 -0.25 -0.56 0.00 0.00 0.00 173.10 176.51 1wx6 s SER 5 N 1.79 3.07 -0.26 1.64 0.01 -1.26 -5.11 113.70 113.58 1wx6 s SER 5 Ca 0.17 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1wx6 s SER 5 Cb 0.01 -0.64 0.07 0.00 0.21 0.00 0.00 66.02 65.67 1wx6 s SER 5 CO -0.11 0.28 0.00 -0.55 0.41 0.00 0.00 173.24 173.27 1wx6 s SER 6 N -0.35 3.91 0.00 2.44 0.15 -1.26 -4.90 113.70 113.69 1wx6 s SER 6 Ca 0.02 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.31 1wx6 s SER 6 Cb -0.12 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1wx6 s SER 6 CO 0.02 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1wx6 n GLY 7 N 4.69 -0.61 2.72 9.45 0.00 -1.26 -5.08 105.19 115.10 1wx6 n GLY 7 Ca -0.07 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1wx6 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wx6 s LEU 8 N 0.00 1.10 0.07 0.99 2.34 -1.26 -5.02 118.68 116.90 1wx6 s LEU 8 Ca 0.00 -0.84 -0.22 0.00 0.06 0.00 0.00 54.13 53.13 1wx6 s LEU 8 Cb 0.00 -0.56 -0.14 0.00 -0.56 0.00 0.00 46.19 44.94 1wx6 s LEU 8 CO 0.00 -0.32 1.59 -1.28 -1.06 0.00 0.00 176.35 175.28 1wx6 h SER 9 N 8.26 0.12 -2.96 1.48 0.87 -1.98 -3.43 113.55 115.91 1wx6 h SER 9 Ca -0.16 -0.18 -0.58 0.00 -1.23 0.00 0.00 61.79 59.65 1wx6 h SER 9 Cb 1.12 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 1wx6 h SER 9 CO 0.34 0.26 -0.38 0.54 -0.53 0.00 0.00 176.83 177.06 1wx6 s ASN 10 N -5.48 6.41 -0.69 6.23 4.22 -1.26 -5.02 114.94 119.35 1wx6 s ASN 10 Ca -0.14 0.42 -0.00 0.00 -2.14 0.00 0.00 52.86 51.00 1wx6 s ASN 10 Cb 0.06 -2.02 0.39 0.00 1.28 0.00 0.00 41.25 40.96 1wx6 s ASN 10 CO 0.68 0.06 1.80 0.61 -2.04 0.00 0.00 177.10 178.21 1wx6 n GLY 11 N -0.10 5.76 2.89 0.45 0.00 -1.26 -5.05 105.19 107.88 1wx6 n GLY 11 Ca -0.04 -2.51 -0.35 0.00 0.00 0.00 0.00 46.02 43.12 1wx6 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx6 n GLN 12 N -0.63 0.00 0.00 1.61 -0.00 -1.26 -4.99 117.38 112.11 1wx6 n GLN 12 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.52 1wx6 n GLN 12 Cb 0.46 -0.94 0.00 0.00 -0.00 0.00 0.00 30.24 29.77 1wx6 n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wx6 n GLY 13 N 2.95 0.65 3.18 2.61 0.00 -1.26 -5.02 105.19 108.31 1wx6 n GLY 13 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1wx6 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wx6 n SER 14 N 0.00 -3.22 -4.18 1.61 7.64 -1.26 -4.98 113.62 109.23 1wx6 n SER 14 Ca 0.00 0.08 -0.29 0.00 1.01 0.00 0.00 58.87 59.66 1wx6 n SER 14 Cb 0.00 -0.86 0.18 0.00 -1.01 0.00 0.00 64.21 62.52 1wx6 n SER 14 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wx6 s ARG 15 N -2.84 0.73 -0.42 1.43 3.00 -1.26 -4.92 118.95 114.67 1wx6 s ARG 15 Ca 0.48 -0.50 -0.28 0.00 0.00 0.00 0.00 55.73 55.43 1wx6 s ARG 15 Cb -0.10 -1.90 0.02 0.00 0.00 0.00 0.00 34.95 32.98 1wx6 s ARG 15 CO 0.70 -2.32 1.04 0.08 0.00 0.00 0.00 175.30 174.80 1wx6 s VAL 16 N -3.81 4.39 -0.11 3.52 1.01 -1.26 -4.34 120.40 119.80 1wx6 s VAL 16 Ca 0.73 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 1wx6 s VAL 16 Cb -0.04 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1wx6 s VAL 16 CO 0.52 -0.78 0.02 -0.07 0.00 0.00 0.00 175.10 174.78 1wx6 h LEU 17 N 10.65 0.00 -7.26 3.92 3.38 -1.09 -3.38 115.31 121.53 1wx6 h LEU 17 Ca -0.23 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1wx6 h LEU 17 Cb 1.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.59 1wx6 h LEU 17 CO 1.06 0.55 -0.14 -1.00 0.09 0.00 0.00 178.44 179.00 1wx6 s HIS 18 N -1.64 -0.49 -0.25 1.13 3.76 -1.25 -2.17 115.29 114.37 1wx6 s HIS 18 Ca -0.02 1.14 -0.22 0.00 -0.15 0.00 0.00 55.06 55.80 1wx6 s HIS 18 Cb 0.00 0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.87 1wx6 s HIS 18 CO 0.05 -0.30 0.73 0.08 -0.85 0.00 0.00 174.74 174.45 1wx6 s VAL 19 N -0.09 4.91 0.12 -0.90 1.01 -1.09 -1.20 120.40 123.17 1wx6 s VAL 19 Ca -0.03 1.35 0.10 0.00 0.00 0.00 0.00 61.98 63.40 1wx6 s VAL 19 Cb -0.03 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1wx6 s VAL 19 CO 0.02 -0.02 -0.22 0.68 0.00 0.00 0.00 175.10 175.56 1wx6 s VAL 20 N 2.68 2.59 0.14 2.92 -7.23 -1.05 -0.87 120.40 119.57 1wx6 s VAL 20 Ca 0.31 -1.60 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1wx6 s VAL 20 Cb -0.15 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1wx6 s VAL 20 CO 0.08 0.11 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.32 1wx6 s GLN 21 N -2.07 2.18 -0.31 4.82 0.74 -0.76 -1.43 119.66 122.82 1wx6 s GLN 21 Ca 0.16 -1.10 -0.16 0.00 0.05 0.00 0.00 55.36 54.31 1wx6 s GLN 21 Cb -0.10 -2.29 -0.02 0.00 1.10 0.00 0.00 33.01 31.70 1wx6 s GLN 21 CO 0.08 0.48 0.40 0.95 -0.55 0.00 0.00 175.29 176.65 1wx6 s THR 22 N -1.45 5.13 0.05 -0.34 -4.23 -0.38 -1.79 115.64 112.64 1wx6 s THR 22 Ca 0.24 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.96 1wx6 s THR 22 Cb -0.10 -3.80 -0.31 0.00 1.34 0.00 0.00 72.50 69.63 1wx6 s THR 22 CO 0.15 -0.02 1.09 -0.07 -0.54 0.00 0.00 174.62 175.23 1wx6 h LEU 23 N 8.77 0.76 -8.57 4.79 3.38 -1.69 -1.04 115.31 121.71 1wx6 h LEU 23 Ca -0.30 -0.76 -0.61 0.00 0.09 0.00 0.00 57.88 56.31 1wx6 h LEU 23 Cb 1.15 -0.24 -0.26 0.00 0.09 0.00 0.00 40.66 41.39 1wx6 h LEU 23 CO 0.69 1.58 -0.85 -0.31 0.09 0.00 0.00 178.44 179.64 1wx6 s TYR 24 N -2.79 1.92 0.12 1.13 1.51 -1.25 -4.61 117.35 113.37 1wx6 s TYR 24 Ca -0.08 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 1wx6 s TYR 24 Cb 0.05 -1.16 -0.08 0.00 -0.11 0.00 0.00 41.96 40.67 1wx6 s TYR 24 CO 0.93 0.08 1.36 -1.25 -1.11 0.00 0.00 175.55 175.55 1wx6 s PRO 25 N -1.10 4.34 -0.23 -1.71 0.04 -1.26 -4.58 135.00 130.50 1wx6 s PRO 25 Ca 0.08 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.15 1wx6 s PRO 25 Cb -0.09 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.26 1wx6 s PRO 25 CO 0.01 -0.40 -0.01 0.12 0.04 0.00 0.00 177.00 176.76 1wx6 s PHE 26 N 1.01 1.99 -0.48 0.56 2.19 -1.17 -4.89 117.98 117.18 1wx6 s PHE 26 Ca 0.63 -1.54 -0.15 0.00 0.33 0.00 0.00 56.93 56.21 1wx6 s PHE 26 Cb -0.36 -1.47 0.08 0.00 -1.31 0.00 0.00 43.02 39.96 1wx6 s PHE 26 CO 0.31 -0.74 0.40 -1.54 1.83 0.00 0.00 175.22 175.48 1wx6 s SER 27 N 1.53 6.11 0.62 6.13 1.04 -1.26 -2.23 113.70 125.64 1wx6 s SER 27 Ca -0.03 -1.43 -0.09 0.00 0.48 0.00 0.00 55.95 54.88 1wx6 s SER 27 Cb -0.18 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 1wx6 s SER 27 CO -0.08 -0.68 0.98 -0.44 0.98 0.00 0.00 173.24 174.00 1wx6 s SER 28 N 2.74 5.79 -0.12 7.02 0.01 -1.26 -5.02 113.70 122.86 1wx6 s SER 28 Ca 0.04 1.06 0.09 0.00 1.31 0.00 0.00 55.95 58.45 1wx6 s SER 28 Cb -0.25 -2.04 -0.14 0.00 0.21 0.00 0.00 66.02 63.80 1wx6 s SER 28 CO 0.06 -1.04 0.02 0.52 0.41 0.00 0.00 173.24 173.20 1wx6 n VAL 29 N -2.72 0.82 -3.54 3.43 0.31 -1.26 -4.95 118.33 110.42 1wx6 n VAL 29 Ca 0.05 -0.48 -0.19 0.00 -0.01 0.00 0.00 64.34 63.71 1wx6 n VAL 29 Cb 0.56 -0.73 -0.01 0.00 -0.91 0.00 0.00 33.84 32.75 1wx6 n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wx6 s THR 30 N -2.29 3.91 0.07 2.52 -1.32 -1.26 -5.04 115.64 112.23 1wx6 s THR 30 Ca -0.08 -1.09 -0.16 0.00 -1.21 0.00 0.00 61.69 59.15 1wx6 s THR 30 Cb 0.04 -3.34 -0.15 0.00 -1.51 0.00 0.00 72.50 67.53 1wx6 s THR 30 CO 0.47 -0.16 1.29 -0.33 -2.21 0.00 0.00 174.62 173.67 1wx6 h GLU 31 N 0.98 0.61 -0.90 7.08 4.39 -1.98 -3.27 114.58 121.48 1wx6 h GLU 31 Ca -0.45 -0.45 0.18 0.00 0.34 0.00 0.00 59.36 58.97 1wx6 h GLU 31 Cb 1.26 0.08 -0.17 0.00 -0.10 0.00 0.00 28.75 29.82 1wx6 h GLU 31 CO 0.54 1.07 -0.23 0.39 -1.16 0.00 0.00 179.01 179.62 1wx6 n GLU 32 N -4.19 -0.09 -1.97 2.33 4.71 -1.26 -4.41 120.64 115.77 1wx6 n GLU 32 Ca -0.07 1.40 -0.29 0.00 -0.01 0.00 0.00 57.16 58.19 1wx6 n GLU 32 Cb 0.60 -2.09 0.07 0.00 -1.01 0.00 0.00 31.44 29.02 1wx6 n GLU 32 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1wx6 s GLU 33 N -6.11 2.23 -0.04 3.49 2.02 -1.23 0.06 118.70 119.12 1wx6 s GLU 33 Ca -0.13 0.12 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 1wx6 s GLU 33 Cb 0.24 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 1wx6 s GLU 33 CO 0.70 -1.38 0.12 -0.51 0.02 0.00 0.00 175.26 174.21 1wx6 s LEU 34 N -5.45 4.15 -0.12 1.80 1.43 -1.02 -4.46 118.68 115.00 1wx6 s LEU 34 Ca 0.61 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1wx6 s LEU 34 Cb -0.11 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1wx6 s LEU 34 CO 0.49 0.30 -0.06 0.20 0.23 0.00 0.00 176.35 177.51 1wx6 s ASN 35 N -1.61 4.64 0.17 2.29 0.02 -1.26 -4.26 114.94 114.93 1wx6 s ASN 35 Ca 0.22 -0.12 -0.11 0.00 -1.02 0.00 0.00 52.86 51.83 1wx6 s ASN 35 Cb -0.12 -1.55 0.04 0.00 0.02 0.00 0.00 41.25 39.64 1wx6 s ASN 35 CO 0.13 0.24 0.57 2.22 0.02 0.00 0.00 177.10 180.27 1wx6 n PHE 36 N 3.07 -1.41 -4.25 2.20 -1.74 -0.95 -4.93 117.46 109.44 1wx6 n PHE 36 Ca -0.18 -0.95 -0.13 0.00 -0.56 0.00 0.00 57.45 55.64 1wx6 n PHE 36 Cb 0.53 0.47 -0.04 0.00 1.52 0.00 0.00 39.48 41.96 1wx6 n PHE 36 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1wx6 n GLU 37 N -0.39 0.69 -2.15 3.97 0.00 -1.26 -3.04 120.64 118.45 1wx6 n GLU 37 Ca -0.03 -1.80 -0.42 0.00 0.00 0.00 0.00 57.16 54.91 1wx6 n GLU 37 Cb 0.36 1.03 -0.03 0.00 0.00 0.00 0.00 31.44 32.81 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1wx6 s LYS 38 N -2.80 4.22 0.00 3.44 2.20 -1.26 -3.34 119.74 122.20 1wx6 s LYS 38 Ca 0.12 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1wx6 s LYS 38 Cb 0.01 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1wx6 s LYS 38 CO 0.08 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1wx6 n GLY 39 N 3.87 0.67 3.42 5.54 0.00 -0.40 -4.96 105.19 113.34 1wx6 n GLY 39 Ca 0.15 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.73 3.42 -0.15 1.61 -6.30 -1.21 -4.90 118.70 108.43 1wx6 s GLU 40 Ca 0.00 -0.63 -0.14 0.00 -2.50 0.00 0.00 54.97 51.70 1wx6 s GLU 40 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 34.13 31.38 1wx6 s GLU 40 CO 0.00 0.25 0.30 0.99 0.02 0.00 0.00 175.26 176.83 1wx6 s THR 41 N 0.27 5.29 0.33 -1.70 2.01 -1.26 -1.24 115.64 119.34 1wx6 s THR 41 Ca -0.07 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.54 1wx6 s THR 41 Cb -0.15 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1wx6 s THR 41 CO 0.05 0.40 0.14 0.23 -0.69 0.00 0.00 174.62 174.75 1wx6 n MET 42 N 3.46 0.58 -3.74 4.92 0.00 -0.52 -4.71 117.12 117.12 1wx6 n MET 42 Ca -0.12 -2.88 -0.17 0.00 0.00 0.00 0.00 57.70 54.53 1wx6 n MET 42 Cb 0.52 1.72 -0.17 0.00 0.00 0.00 0.00 33.22 35.29 1wx6 n MET 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wx6 s GLU 43 N -3.27 -0.05 -0.30 0.03 8.01 -1.25 -2.52 118.70 119.35 1wx6 s GLU 43 Ca 0.20 0.26 -0.29 0.00 0.01 0.00 0.00 54.97 55.15 1wx6 s GLU 43 Cb 0.01 -0.35 -0.02 0.00 -4.31 0.00 0.00 34.13 29.46 1wx6 s GLU 43 CO 0.14 -0.23 1.68 0.08 0.01 0.00 0.00 175.26 176.95 1wx6 s VAL 44 N 1.48 3.60 -0.08 2.63 1.01 -0.34 -2.77 120.40 125.94 1wx6 s VAL 44 Ca -0.04 0.64 0.15 0.00 0.00 0.00 0.00 61.98 62.73 1wx6 s VAL 44 Cb -0.13 -3.74 -0.20 0.00 0.00 0.00 0.00 36.38 32.31 1wx6 s VAL 44 CO -0.03 -0.42 0.66 2.30 0.00 0.00 0.00 175.10 177.60 1wx6 n ILE 45 N 7.06 1.43 -3.46 2.22 -5.35 -0.56 -0.45 119.36 120.24 1wx6 n ILE 45 Ca 0.21 -0.76 -0.11 0.00 -0.27 0.00 0.00 62.75 61.82 1wx6 n ILE 45 Cb 0.46 -0.87 -0.02 0.00 -1.74 0.00 0.00 39.64 37.47 1wx6 n ILE 45 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1wx6 s GLU 46 N -2.71 1.07 -0.10 6.28 2.12 -1.12 -4.51 118.70 119.73 1wx6 s GLU 46 Ca -0.05 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.93 1wx6 s GLU 46 Cb 0.08 0.49 0.02 0.00 0.26 0.00 0.00 34.13 34.98 1wx6 s GLU 46 CO 0.82 -0.46 -0.13 0.15 -0.54 0.00 0.00 175.26 175.10 1wx6 s LYS 47 N -3.37 1.97 0.97 4.30 1.02 -1.26 -2.02 119.74 121.34 1wx6 s LYS 47 Ca 0.02 -0.47 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1wx6 s LYS 47 Cb -0.01 -1.72 0.17 0.00 -0.52 0.00 0.00 37.83 35.75 1wx6 s LYS 47 CO -0.10 -0.08 1.09 -1.25 -0.92 0.00 0.00 175.35 174.09 1wx6 s PRO 48 N 1.04 0.69 -0.05 -1.68 0.04 -1.26 -5.01 135.00 128.77 1wx6 s PRO 48 Ca -0.06 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.61 1wx6 s PRO 48 Cb -0.15 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wx6 s PRO 48 CO -0.02 -2.58 -0.03 -0.85 0.04 0.00 0.00 177.00 173.57 1wx6 n GLU 49 N -4.08 0.88 0.11 4.56 0.28 -1.26 -4.61 120.64 116.50 1wx6 n GLU 49 Ca 0.06 0.02 -0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1wx6 n GLU 49 Cb 0.56 -1.10 0.13 0.00 1.43 0.00 0.00 31.44 32.46 1wx6 n GLU 49 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1wx6 h ASN 50 N 0.00 0.15 -3.62 -1.84 7.08 -2.00 -3.38 115.58 111.98 1wx6 h ASN 50 Ca -0.11 -0.09 -0.62 0.00 -3.08 0.00 0.00 56.30 52.39 1wx6 h ASN 50 Cb 1.20 -0.04 -0.41 0.00 -2.08 0.00 0.00 38.32 36.99 1wx6 h ASN 50 CO -0.01 0.75 -0.69 -1.81 -2.08 0.00 0.00 177.43 173.58 1wx6 s ASP 51 N -6.88 3.90 0.37 6.14 1.01 -1.26 -4.94 116.67 115.00 1wx6 s ASP 51 Ca -0.03 -2.98 0.16 0.00 0.71 0.00 0.00 52.55 50.41 1wx6 s ASP 51 Cb 0.12 -1.28 0.70 0.00 1.01 0.00 0.00 42.92 43.48 1wx6 s ASP 51 CO 0.79 -0.22 1.78 1.55 0.21 0.00 0.00 175.17 179.27 1wx6 h PRO 52 N 6.36 0.00 0.00 8.23 0.13 -1.82 -2.66 132.00 142.24 1wx6 h PRO 52 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wx6 h PRO 52 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1wx6 h PRO 52 CO 0.58 0.40 0.00 0.39 -0.23 0.00 0.00 178.00 179.14 1wx6 n GLU 53 N -3.81 0.09 -4.34 0.86 -0.58 -1.26 -4.69 120.64 106.91 1wx6 n GLU 53 Ca -0.01 0.38 -0.27 0.00 -0.42 0.00 0.00 57.16 56.83 1wx6 n GLU 53 Cb 0.47 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.54 1wx6 n GLU 53 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1wx6 s TRP 54 N -3.18 2.50 0.05 -0.32 0.52 -1.00 -2.47 118.94 115.04 1wx6 s TRP 54 Ca 0.04 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1wx6 s TRP 54 Cb 0.08 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 31.14 1wx6 s TRP 54 CO 0.29 0.50 -0.08 -1.58 0.02 0.00 0.00 176.95 176.10 1wx6 s TRP 55 N -1.65 0.72 -0.36 -1.98 0.51 0.14 -4.49 118.94 111.83 1wx6 s TRP 55 Ca 0.23 -0.55 -0.15 0.00 -2.12 0.00 0.00 56.10 53.51 1wx6 s TRP 55 Cb -0.09 -0.43 -0.00 0.00 -0.81 0.00 0.00 33.47 32.14 1wx6 s TRP 55 CO 0.13 -0.09 0.36 0.21 -0.51 0.00 0.00 176.95 177.05 1wx6 s LYS 56 N -1.85 3.42 0.37 4.98 2.20 -0.86 -0.21 119.74 127.79 1wx6 s LYS 56 Ca -0.07 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1wx6 s LYS 56 Cb -0.08 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1wx6 s LYS 56 CO -0.00 -0.60 0.13 0.00 -0.36 0.00 0.00 175.35 174.52 1wx6 s LYS 58 N -3.76 1.61 0.85 0.00 2.20 -1.11 -2.79 119.74 116.72 1wx6 s LYS 58 Ca 0.29 -0.32 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 1wx6 s LYS 58 Cb 0.04 -1.54 0.19 0.00 -1.51 0.00 0.00 37.83 35.02 1wx6 s LYS 58 CO 0.16 -0.17 1.16 0.27 -0.36 0.00 0.00 175.35 176.40 1wx6 n ASN 59 N 4.55 0.19 -0.02 1.43 0.23 -0.98 -3.82 115.26 116.84 1wx6 n ASN 59 Ca -0.16 -1.48 0.07 0.00 -0.53 0.00 0.00 54.58 52.47 1wx6 n ASN 59 Cb 0.51 -0.87 0.45 0.00 -2.08 0.00 0.00 39.78 37.79 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 -1.71 1.81 0.00 -2.53 0.00 -1.91 0.80 119.26 115.72 1wx6 h ALA 60 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wx6 h ALA 60 Cb 1.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wx6 h ALA 60 CO 0.27 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.20 1wx6 n ARG 61 N -4.48 0.22 -1.16 0.00 1.74 -1.26 -4.81 116.66 106.91 1wx6 n ARG 61 Ca 0.05 0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 57.21 1wx6 n ARG 61 Cb 0.16 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1wx6 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wx6 n GLY 62 N -0.27 0.80 3.81 -0.13 0.00 0.27 -5.01 105.19 104.66 1wx6 n GLY 62 Ca 0.06 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.21 3.80 0.00 1.61 -1.52 -1.26 -4.87 119.66 115.22 1wx6 s GLN 63 Ca 0.00 -0.09 -0.01 0.00 -1.95 0.00 0.00 55.36 53.31 1wx6 s GLN 63 Cb 0.00 -3.29 -0.04 0.00 -0.22 0.00 0.00 33.01 29.46 1wx6 s GLN 63 CO 0.00 0.57 0.13 0.14 -0.25 0.00 0.00 175.29 175.87 1wx6 s VAL 64 N -0.44 5.04 0.15 1.09 -7.23 -1.26 -2.33 120.40 115.42 1wx6 s VAL 64 Ca 0.14 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.80 1wx6 s VAL 64 Cb -0.12 -3.34 0.06 0.00 0.56 0.00 0.00 36.38 33.54 1wx6 s VAL 64 CO 0.03 0.32 0.87 0.61 -0.31 0.00 0.00 175.10 176.62 1wx6 n GLY 65 N 1.01 0.71 3.63 2.32 0.00 -1.12 -4.88 105.19 106.86 1wx6 n GLY 65 Ca -0.12 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 4.07 -0.04 0.99 1.43 0.11 -3.10 118.68 122.14 1wx6 s LEU 66 Ca 0.19 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.19 1wx6 s LEU 66 Cb -0.02 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1wx6 s LEU 66 CO 0.05 -0.44 -0.22 0.54 0.23 0.00 0.00 176.35 176.51 1wx6 s VAL 67 N 2.65 1.75 -0.10 -1.59 0.11 0.71 -2.44 120.40 121.50 1wx6 s VAL 67 Ca 0.30 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 58.14 1wx6 s VAL 67 Cb -0.15 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 1wx6 s VAL 67 CO 0.08 0.49 1.52 -2.16 -3.33 0.00 0.00 175.10 171.71 1wx6 s PRO 68 N -0.23 4.19 0.39 1.54 0.04 -1.26 0.29 135.00 139.95 1wx6 s PRO 68 Ca 0.01 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.13 1wx6 s PRO 68 Cb -0.11 -3.91 0.79 0.00 0.04 0.00 0.00 34.50 31.30 1wx6 s PRO 68 CO 0.02 -0.81 1.95 1.57 0.04 0.00 0.00 177.00 179.77 1wx6 h LYS 69 N 9.12 0.37 0.00 4.56 2.10 -1.82 -1.41 116.57 129.49 1wx6 h LYS 69 Ca -0.35 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1wx6 h LYS 69 Cb 1.15 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1wx6 h LYS 69 CO 0.96 0.39 0.00 -0.91 -2.00 0.00 0.00 179.45 177.89 1wx6 h ASN 70 N 0.37 0.00 0.34 7.07 4.21 -1.91 -0.73 115.58 124.93 1wx6 h ASN 70 Ca 0.08 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.33 1wx6 h ASN 70 Cb 0.23 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.38 1wx6 h ASN 70 CO 0.00 0.00 -1.88 -1.22 -1.29 0.00 0.00 177.43 173.04 1wx6 n TYR 71 N -2.64 0.58 -3.51 1.19 4.02 -0.54 -4.97 117.16 111.29 1wx6 n TYR 71 Ca -0.02 0.20 -0.17 0.00 -0.01 0.00 0.00 57.90 57.90 1wx6 n TYR 71 Cb 0.06 -1.04 0.02 0.00 -0.02 0.00 0.00 39.34 38.36 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 -2.84 0.00 -3.65 -0.72 0.24 -0.28 -1.77 118.33 109.31 1wx6 n VAL 72 Ca -0.19 -1.54 -0.09 0.00 -2.04 0.00 0.00 64.34 60.47 1wx6 n VAL 72 Cb 0.99 -0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.88 -0.00 -0.13 3.34 -7.23 -0.74 -4.88 120.40 108.88 1wx6 s VAL 73 Ca 0.31 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 1wx6 s VAL 73 Cb -0.02 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1wx6 s VAL 73 CO 0.20 0.00 1.66 -0.69 -0.31 0.00 0.00 175.10 175.96 1wx6 s VAL 74 N 1.24 3.60 -0.15 1.32 1.01 -1.26 -1.83 120.40 124.34 1wx6 s VAL 74 Ca -0.07 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1wx6 s VAL 74 Cb -0.05 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1wx6 s VAL 74 CO -0.13 -0.15 -0.21 0.18 0.00 0.00 0.00 175.10 174.79 1wx6 n LEU 75 N 7.85 1.81 -4.42 3.92 4.77 -0.05 -4.98 117.00 125.90 1wx6 n LEU 75 Ca 0.18 0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 56.42 1wx6 n LEU 75 Cb 0.44 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1wx6 n LEU 75 CO 0.63 -0.43 -0.52 -0.44 -1.33 0.00 0.00 177.39 175.31 1wx6 s SER 76 N -5.74 3.60 -1.25 -1.43 0.01 -1.20 -5.03 113.70 102.66 1wx6 s SER 76 Ca -0.18 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.44 1wx6 s SER 76 Cb 0.02 -0.51 0.10 0.00 0.21 0.00 0.00 66.02 65.85 1wx6 s SER 76 CO 0.26 0.26 1.61 1.51 0.41 0.00 0.00 173.24 177.29 1wx6 s ASP 77 N -1.35 6.90 0.00 2.44 -4.77 -1.26 -2.66 116.67 115.97 1wx6 s ASP 77 Ca 0.14 -2.58 0.00 0.00 -3.30 0.00 0.00 52.55 46.81 1wx6 s ASP 77 Cb -0.10 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1wx6 s ASP 77 CO 0.04 -1.04 0.00 0.61 0.70 0.00 0.00 175.17 175.48 1wx6 n GLY 78 N 5.04 0.01 0.00 2.12 0.00 -0.92 -4.46 105.19 106.97 1wx6 n GLY 78 Ca 0.43 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.70 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 0.13 0.48 -2.54 1.61 -0.04 -1.26 -4.65 135.00 128.73 1wx6 n PRO 79 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1wx6 n PRO 79 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.01 -0.54 -4.05 0.55 0.00 -1.26 -5.06 120.51 109.14 1wx6 n ALA 80 Ca 0.12 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1wx6 n ALA 80 Cb 0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 1wx6 n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wx6 n LEU 81 N -1.90 0.00 -3.20 0.00 4.32 -1.26 -5.10 117.00 109.86 1wx6 n LEU 81 Ca -0.06 -1.85 -0.25 0.00 -0.02 0.00 0.00 56.01 53.83 1wx6 n LEU 81 Cb 0.54 0.63 -0.06 0.00 -1.62 0.00 0.00 43.42 42.91 1wx6 n LEU 81 CO 0.18 -0.29 -0.01 0.00 -1.22 0.00 0.00 177.39 176.05 1wx6 n HIS 82 N -0.54 2.53 0.00 -1.77 1.44 -1.26 -4.92 115.22 110.71 1wx6 n HIS 82 Ca -0.03 -3.95 -0.13 0.00 -2.01 0.00 0.00 57.72 51.60 1wx6 n HIS 82 Cb 0.36 -0.48 -0.10 0.00 0.12 0.00 0.00 29.99 29.90 1wx6 n HIS 82 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1wx6 h PRO 83 N 3.60 -0.04 -1.72 -1.40 0.13 -2.00 -3.48 132.00 127.10 1wx6 h PRO 83 Ca 0.14 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.45 1wx6 h PRO 83 Cb 0.70 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 31.65 1wx6 h PRO 83 CO 0.71 0.43 0.68 0.00 -0.23 0.00 0.00 178.00 179.59 1wx6 s ALA 84 N -4.27 -1.97 0.00 -0.56 0.00 -1.26 -5.06 121.76 108.64 1wx6 s ALA 84 Ca -0.16 1.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.99 1wx6 s ALA 84 Cb 0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 23.12 22.80 1wx6 s ALA 84 CO 0.65 -0.55 1.34 1.25 0.00 0.00 0.00 175.76 178.45 1wx6 h HIS 85 N 2.10 0.08 -1.55 0.00 2.76 -2.01 -3.45 115.15 113.07 1wx6 h HIS 85 Ca -0.15 -0.02 -0.46 0.00 -2.20 0.00 0.00 60.37 57.54 1wx6 h HIS 85 Cb 1.19 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 1wx6 h HIS 85 CO 0.27 0.48 -0.34 0.45 -1.30 0.00 0.00 177.93 177.49 1wx6 s SER 86 N -5.71 5.39 0.50 3.26 0.15 -1.26 -5.14 113.70 110.89 1wx6 s SER 86 Ca -0.15 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.04 1wx6 s SER 86 Cb 0.03 -0.71 0.08 0.00 -1.71 0.00 0.00 66.02 63.71 1wx6 s SER 86 CO 0.69 -0.64 0.69 0.61 1.20 0.00 0.00 173.24 175.79 1wx6 n GLY 87 N -1.65 1.97 3.55 9.45 0.00 -1.26 -5.02 105.19 112.24 1wx6 n GLY 87 Ca 0.04 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 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 -4.27 2.70 0.20 1.61 0.04 -1.26 -4.87 135.00 129.14 1wx6 s PRO 88 Ca 0.52 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1wx6 s PRO 88 Cb -0.04 -4.37 0.23 0.00 0.04 0.00 0.00 34.50 30.36 1wx6 s PRO 88 CO 0.33 -2.65 1.70 0.77 0.04 0.00 0.00 177.00 177.20 1wx6 h SER 89 N 14.74 -0.06 -2.40 6.66 0.02 -2.07 -3.41 113.55 127.03 1wx6 h SER 89 Ca -0.27 0.11 -0.51 0.00 -0.84 0.00 0.00 61.79 60.28 1wx6 h SER 89 Cb 1.16 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1wx6 h SER 89 CO 1.20 -0.01 -0.48 -0.44 -1.14 0.00 0.00 176.83 175.97 1wx6 s SER 90 N -5.29 6.07 0.00 3.07 0.01 -1.26 -5.32 113.70 110.98 1wx6 s SER 90 Ca -0.13 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1wx6 s SER 90 Cb 0.17 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1wx6 s SER 90 CO 0.73 -0.00 0.48 0.61 0.41 0.00 0.00 173.24 175.47