#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 3.67 0.47 1.61 0.01 -1.26 -5.11 113.70 113.09 1wx6 s SER 2 Ca 0.00 -3.08 -0.24 0.00 1.31 0.00 0.00 55.95 53.94 1wx6 s SER 2 Cb 0.00 -1.16 -0.07 0.00 0.21 0.00 0.00 66.02 64.99 1wx6 s SER 2 CO 0.00 -0.20 1.40 -0.44 0.41 0.00 0.00 173.24 174.42 1wx6 s SER 3 N -0.26 5.77 -0.11 2.44 0.01 -1.26 -5.02 113.70 115.28 1wx6 s SER 3 Ca 0.22 2.87 -0.03 0.00 1.31 0.00 0.00 55.95 60.31 1wx6 s SER 3 Cb -0.14 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.48 1wx6 s SER 3 CO -0.08 -1.24 0.06 -0.83 0.41 0.00 0.00 173.24 171.56 1wx6 s GLY 4 N -0.63 0.33 -0.29 3.44 0.00 -1.26 -5.11 107.32 103.81 1wx6 s GLY 4 Ca 0.63 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 45.27 1wx6 s GLY 4 CO 0.54 1.50 0.02 -1.35 0.00 0.00 0.00 173.10 173.80 1wx6 s SER 5 N 2.11 4.26 0.18 1.64 1.04 -1.26 -5.02 113.70 116.66 1wx6 s SER 5 Ca 0.03 -1.65 -0.26 0.00 0.48 0.00 0.00 55.95 54.55 1wx6 s SER 5 Cb -0.14 -1.28 0.04 0.00 0.10 0.00 0.00 66.02 64.74 1wx6 s SER 5 CO -0.06 -0.33 1.55 -1.28 0.98 0.00 0.00 173.24 174.10 1wx6 h SER 6 N 7.85 -1.81 0.00 7.02 0.87 -2.06 -3.47 113.55 121.95 1wx6 h SER 6 Ca -0.12 0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1wx6 h SER 6 Cb 1.04 0.84 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1wx6 h SER 6 CO 0.47 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 1wx6 n GLY 7 N -1.35 -0.06 3.96 5.77 0.00 -1.26 -5.01 105.19 107.23 1wx6 n GLY 7 Ca 0.04 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1wx6 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wx6 n LEU 8 N 0.00 -2.27 -4.81 0.99 4.32 -1.26 -4.92 117.00 109.04 1wx6 n LEU 8 Ca 0.00 -0.98 -0.33 0.00 -0.02 0.00 0.00 56.01 54.68 1wx6 n LEU 8 Cb 0.00 -2.26 -0.04 0.00 -1.62 0.00 0.00 43.42 39.49 1wx6 n LEU 8 CO 0.00 0.42 0.68 -0.55 -1.22 0.00 0.00 177.39 176.72 1wx6 s SER 9 N -4.23 6.57 -0.55 -1.43 0.15 -1.26 -5.03 113.70 107.92 1wx6 s SER 9 Ca 0.10 1.77 -0.04 0.00 0.70 0.00 0.00 55.95 58.48 1wx6 s SER 9 Cb -0.05 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 1wx6 s SER 9 CO 0.88 -0.62 0.38 0.20 1.20 0.00 0.00 173.24 175.28 1wx6 s ASN 10 N -2.29 5.36 -0.38 5.45 -0.87 -1.26 -4.90 114.94 116.06 1wx6 s ASN 10 Ca 0.64 -2.51 0.12 0.00 -1.57 0.00 0.00 52.86 49.54 1wx6 s ASN 10 Cb -0.12 -1.88 0.40 0.00 -0.02 0.00 0.00 41.25 39.62 1wx6 s ASN 10 CO 0.20 -0.46 1.08 0.61 -2.57 0.00 0.00 177.10 175.96 1wx6 n GLY 11 N 3.98 1.64 3.41 0.66 0.00 -1.26 -5.12 105.19 108.50 1wx6 n GLY 11 Ca 0.04 -0.75 -0.47 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.13 0.17 0.00 1.61 0.00 -1.26 -1.53 117.38 116.24 1wx6 n GLN 12 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.13 1wx6 n GLN 12 Cb 0.79 -1.11 0.00 0.00 0.00 0.00 0.00 30.24 29.92 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 1.93 1.59 3.30 2.61 0.00 -1.26 -4.80 105.19 108.56 1wx6 n GLY 13 Ca 0.16 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1wx6 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 s SER 14 N 0.00 6.40 0.54 1.61 0.01 -0.58 -5.04 113.70 116.64 1wx6 s SER 14 Ca 0.00 -2.38 0.05 0.00 1.31 0.00 0.00 55.95 54.93 1wx6 s SER 14 Cb 0.00 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 64.10 1wx6 s SER 14 CO 0.00 -0.65 0.35 0.00 0.41 0.00 0.00 173.24 173.35 1wx6 s ARG 15 N 0.67 2.24 -0.33 12.44 1.70 -1.25 -4.64 118.95 129.78 1wx6 s ARG 15 Ca 0.12 -2.08 -0.28 0.00 -0.47 0.00 0.00 55.73 53.02 1wx6 s ARG 15 Cb -0.18 -2.02 -0.02 0.00 -0.57 0.00 0.00 34.95 32.16 1wx6 s ARG 15 CO -0.04 -0.60 1.79 0.08 -1.08 0.00 0.00 175.30 175.45 1wx6 s VAL 16 N -2.79 3.49 -0.11 4.99 1.01 -1.26 -4.40 120.40 121.32 1wx6 s VAL 16 Ca 0.30 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 1wx6 s VAL 16 Cb -0.02 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1wx6 s VAL 16 CO 0.18 -0.42 -0.06 -0.07 0.00 0.00 0.00 175.10 174.74 1wx6 h LEU 17 N 13.61 0.00 -7.25 3.92 3.38 -0.87 -3.39 115.31 124.71 1wx6 h LEU 17 Ca -0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 1wx6 h LEU 17 Cb 1.17 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.67 1wx6 h LEU 17 CO 1.03 0.55 -0.23 -1.00 0.09 0.00 0.00 178.44 178.88 1wx6 s HIS 18 N -1.75 -0.55 -0.14 1.13 3.76 -1.25 -1.97 115.29 114.53 1wx6 s HIS 18 Ca -0.05 1.26 -0.26 0.00 -0.15 0.00 0.00 55.06 55.85 1wx6 s HIS 18 Cb 0.01 0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.90 1wx6 s HIS 18 CO 0.07 -0.28 0.87 0.08 -0.85 0.00 0.00 174.74 174.63 1wx6 s VAL 19 N 0.71 4.87 0.20 -0.90 1.01 -1.07 -0.44 120.40 124.78 1wx6 s VAL 19 Ca -0.04 1.73 0.10 0.00 0.00 0.00 0.00 61.98 63.77 1wx6 s VAL 19 Cb -0.05 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1wx6 s VAL 19 CO -0.05 0.04 -0.20 0.68 0.00 0.00 0.00 175.10 175.57 1wx6 s VAL 20 N 2.02 2.09 0.24 2.92 -7.23 -0.41 -0.88 120.40 119.15 1wx6 s VAL 20 Ca 0.41 -2.07 0.10 0.00 -1.81 0.00 0.00 61.98 58.61 1wx6 s VAL 20 Cb -0.17 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1wx6 s VAL 20 CO 0.14 -0.30 -0.11 -1.58 -0.31 0.00 0.00 175.10 172.94 1wx6 s GLN 21 N -2.97 1.97 -0.36 4.82 0.74 -0.38 -0.48 119.66 123.00 1wx6 s GLN 21 Ca 0.20 -1.50 -0.13 0.00 0.05 0.00 0.00 55.36 53.99 1wx6 s GLN 21 Cb -0.06 -2.01 0.00 0.00 1.10 0.00 0.00 33.01 32.05 1wx6 s GLN 21 CO 0.09 0.37 0.24 0.95 -0.55 0.00 0.00 175.29 176.39 1wx6 s THR 22 N -2.17 5.02 0.07 -0.34 -4.23 0.12 -1.62 115.64 112.49 1wx6 s THR 22 Ca 0.28 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 60.13 1wx6 s THR 22 Cb -0.07 -3.68 -0.18 0.00 1.34 0.00 0.00 72.50 69.91 1wx6 s THR 22 CO 0.16 -0.13 1.25 -0.07 -0.54 0.00 0.00 174.62 175.29 1wx6 h LEU 23 N 8.50 0.79 -8.57 4.79 3.38 -1.71 0.73 115.31 123.22 1wx6 h LEU 23 Ca -0.29 -0.66 -0.61 0.00 0.09 0.00 0.00 57.88 56.42 1wx6 h LEU 23 Cb 1.13 -0.24 -0.26 0.00 0.09 0.00 0.00 40.66 41.38 1wx6 h LEU 23 CO 0.67 1.32 -0.85 -0.31 0.09 0.00 0.00 178.44 179.36 1wx6 s TYR 24 N -3.64 1.92 0.11 1.13 1.51 -1.25 -4.44 117.35 112.69 1wx6 s TYR 24 Ca -0.11 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.26 1wx6 s TYR 24 Cb 0.07 -1.16 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 1wx6 s TYR 24 CO 0.87 0.08 1.36 -1.25 -1.11 0.00 0.00 175.55 175.51 1wx6 s PRO 25 N -1.11 4.34 0.01 -1.71 0.04 -1.26 -4.62 135.00 130.68 1wx6 s PRO 25 Ca 0.08 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1wx6 s PRO 25 Cb -0.09 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wx6 s PRO 25 CO 0.02 -0.41 -0.10 0.12 0.04 0.00 0.00 177.00 176.67 1wx6 s PHE 26 N 1.04 0.85 -0.07 0.56 2.19 -1.21 -4.90 117.98 116.44 1wx6 s PHE 26 Ca 0.63 -0.23 0.02 0.00 0.33 0.00 0.00 56.93 57.68 1wx6 s PHE 26 Cb -0.36 -0.53 -0.03 0.00 -1.31 0.00 0.00 43.02 40.79 1wx6 s PHE 26 CO 0.31 -0.01 -0.10 -1.12 1.83 0.00 0.00 175.22 176.12 1wx6 s SER 27 N -0.57 4.36 -0.32 6.13 0.01 -1.26 -2.09 113.70 119.95 1wx6 s SER 27 Ca 0.01 -0.11 -0.23 0.00 1.31 0.00 0.00 55.95 56.93 1wx6 s SER 27 Cb -0.05 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1wx6 s SER 27 CO 0.00 0.34 0.76 -0.94 0.41 0.00 0.00 173.24 173.81 1wx6 s SER 28 N -0.66 6.61 0.29 2.44 1.04 -1.23 -4.93 113.70 117.26 1wx6 s SER 28 Ca 0.10 0.54 0.08 0.00 0.48 0.00 0.00 55.95 57.15 1wx6 s SER 28 Cb -0.11 -2.39 0.44 0.00 0.10 0.00 0.00 66.02 64.06 1wx6 s SER 28 CO 0.01 -0.62 1.68 0.58 0.98 0.00 0.00 173.24 175.87 1wx6 h VAL 29 N 5.63 1.34 -2.71 5.02 2.07 -1.92 -3.45 116.25 122.23 1wx6 h VAL 29 Ca -0.25 -1.66 -0.48 0.00 0.82 0.00 0.00 66.70 65.13 1wx6 h VAL 29 Cb 1.10 1.81 -0.14 0.00 -1.52 0.00 0.00 31.29 32.54 1wx6 h VAL 29 CO 0.88 0.49 -0.70 0.28 0.02 0.00 0.00 177.57 178.54 1wx6 s THR 30 N -4.00 1.70 -1.09 2.57 -1.32 -1.26 -5.00 115.64 107.24 1wx6 s THR 30 Ca -0.04 -2.16 0.02 0.00 -1.21 0.00 0.00 61.69 58.30 1wx6 s THR 30 Cb 0.13 -2.32 0.02 0.00 -1.51 0.00 0.00 72.50 68.83 1wx6 s THR 30 CO 0.77 -0.40 1.04 -1.84 -2.21 0.00 0.00 174.62 171.98 1wx6 n GLU 31 N -0.52 0.01 0.06 7.08 0.00 -1.26 -1.74 120.64 124.27 1wx6 n GLU 31 Ca -0.06 0.42 -0.21 0.00 0.00 0.00 0.00 57.16 57.31 1wx6 n GLU 31 Cb 0.62 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.43 1wx6 n GLU 31 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1wx6 h GLU 32 N 0.00 0.42 -7.57 3.44 4.11 -1.94 -3.46 114.58 109.58 1wx6 h GLU 32 Ca 0.00 -0.62 -0.46 0.00 0.07 0.00 0.00 59.36 58.35 1wx6 h GLU 32 Cb 0.04 0.21 0.12 0.00 0.50 0.00 0.00 28.75 29.63 1wx6 h GLU 32 CO 0.00 1.27 0.35 -1.21 0.07 0.00 0.00 179.01 179.48 1wx6 s GLU 33 N -2.74 1.30 -0.01 1.06 2.02 -0.71 0.26 118.70 119.88 1wx6 s GLU 33 Ca -0.12 0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.03 1wx6 s GLU 33 Cb 0.03 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1wx6 s GLU 33 CO 0.87 -2.06 -0.03 -0.51 0.02 0.00 0.00 175.26 173.55 1wx6 s LEU 34 N -5.89 3.36 -0.20 1.80 1.43 -1.21 -4.47 118.68 113.49 1wx6 s LEU 34 Ca 0.64 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 1wx6 s LEU 34 Cb -0.12 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1wx6 s LEU 34 CO 0.52 0.30 0.01 0.54 0.23 0.00 0.00 176.35 177.95 1wx6 s ASN 35 N -1.37 4.89 0.36 2.29 2.20 -1.26 -3.48 114.94 118.56 1wx6 s ASN 35 Ca 0.17 -0.19 -0.02 0.00 -0.94 0.00 0.00 52.86 51.88 1wx6 s ASN 35 Cb -0.11 -1.84 0.01 0.00 -2.00 0.00 0.00 41.25 37.31 1wx6 s ASN 35 CO 0.08 0.06 0.51 2.22 -2.94 0.00 0.00 177.10 177.02 1wx6 n PHE 36 N 4.29 -1.51 -4.52 1.54 -1.74 -0.89 -4.95 117.46 109.69 1wx6 n PHE 36 Ca -0.17 -2.34 -0.25 0.00 -0.56 0.00 0.00 57.45 54.13 1wx6 n PHE 36 Cb 0.52 0.57 -0.09 0.00 1.52 0.00 0.00 39.48 42.00 1wx6 n PHE 36 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1wx6 s GLU 37 N -2.77 1.83 0.13 3.97 -1.05 -1.26 -3.31 118.70 116.24 1wx6 s GLU 37 Ca 0.29 -2.08 -0.31 0.00 -0.15 0.00 0.00 54.97 52.71 1wx6 s GLU 37 Cb -0.01 -0.86 -0.10 0.00 -0.44 0.00 0.00 34.13 32.71 1wx6 s GLU 37 CO 0.20 -0.32 1.73 0.21 0.95 0.00 0.00 175.26 178.04 1wx6 s LYS 38 N -3.81 4.16 -0.02 -4.83 2.20 -1.26 -2.97 119.74 113.21 1wx6 s LYS 38 Ca 0.28 2.50 -0.00 0.00 -0.36 0.00 0.00 55.97 58.39 1wx6 s LYS 38 Cb 0.06 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1wx6 s LYS 38 CO 0.14 -0.77 0.01 0.41 -0.36 0.00 0.00 175.35 174.78 1wx6 n GLY 39 N 4.07 0.61 3.41 5.54 0.00 0.25 -4.95 105.19 114.12 1wx6 n GLY 39 Ca 0.16 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.37 2.90 0.17 1.61 2.56 -1.16 -4.89 118.70 115.51 1wx6 s GLU 40 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 54.97 54.23 1wx6 s GLU 40 Cb -0.00 -2.47 -0.05 0.00 2.00 0.00 0.00 34.13 33.61 1wx6 s GLU 40 CO 0.01 0.42 0.39 0.99 -0.56 0.00 0.00 175.26 176.51 1wx6 s THR 41 N -0.21 5.18 0.35 -1.70 2.01 -1.26 0.13 115.64 120.14 1wx6 s THR 41 Ca 0.00 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 1wx6 s THR 41 Cb -0.13 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1wx6 s THR 41 CO 0.03 -0.04 0.64 -0.04 -0.69 0.00 0.00 174.62 174.52 1wx6 s MET 42 N -2.90 2.01 -0.05 4.92 -1.94 0.37 -4.74 119.30 116.98 1wx6 s MET 42 Ca 0.40 -1.50 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 1wx6 s MET 42 Cb -0.12 0.54 0.02 0.00 2.01 0.00 0.00 34.83 37.29 1wx6 s MET 42 CO 0.26 -0.90 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.13 1wx6 s GLU 43 N -2.88 0.78 -0.23 2.03 2.02 -1.26 -1.28 118.70 117.88 1wx6 s GLU 43 Ca 0.21 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.83 1wx6 s GLU 43 Cb -0.03 -0.83 -0.02 0.00 0.10 0.00 0.00 34.13 33.35 1wx6 s GLU 43 CO 0.14 -0.10 1.61 0.08 0.02 0.00 0.00 175.26 177.01 1wx6 s VAL 44 N 0.99 3.70 -0.13 2.63 1.01 0.42 -3.10 120.40 125.92 1wx6 s VAL 44 Ca -0.10 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1wx6 s VAL 44 Cb -0.14 -3.72 -0.24 0.00 0.00 0.00 0.00 36.38 32.27 1wx6 s VAL 44 CO -0.00 -0.31 0.33 2.30 0.00 0.00 0.00 175.10 177.41 1wx6 n ILE 45 N 6.46 1.70 -3.64 2.22 -5.35 -0.28 -0.17 119.36 120.30 1wx6 n ILE 45 Ca 0.19 -0.68 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1wx6 n ILE 45 Cb 0.45 -1.52 -0.05 0.00 -1.74 0.00 0.00 39.64 36.79 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 -2.56 1.04 -0.27 6.28 2.12 -1.13 -4.37 118.70 119.81 1wx6 s GLU 46 Ca -0.20 -0.63 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1wx6 s GLU 46 Cb 0.07 0.46 0.08 0.00 0.26 0.00 0.00 34.13 35.00 1wx6 s GLU 46 CO 0.76 -0.39 0.06 0.15 -0.54 0.00 0.00 175.26 175.29 1wx6 s LYS 47 N -3.50 0.85 0.01 4.30 1.02 -1.26 -1.80 119.74 119.36 1wx6 s LYS 47 Ca 0.01 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 1wx6 s LYS 47 Cb 0.01 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 1wx6 s LYS 47 CO -0.10 -0.83 1.44 -1.25 -0.92 0.00 0.00 175.35 173.69 1wx6 s PRO 48 N 1.64 4.27 0.02 -1.68 0.04 -1.26 -4.95 135.00 133.07 1wx6 s PRO 48 Ca 0.04 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 1wx6 s PRO 48 Cb -0.17 -3.57 -0.16 0.00 0.04 0.00 0.00 34.50 30.64 1wx6 s PRO 48 CO -0.17 -0.59 1.21 1.49 0.04 0.00 0.00 177.00 178.98 1wx6 h GLU 49 N 7.87 -0.66 -0.91 4.56 4.81 -1.99 -3.23 114.58 125.03 1wx6 h GLU 49 Ca -0.39 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1wx6 h GLU 49 Cb 1.18 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.57 1wx6 h GLU 49 CO 0.91 -0.36 -0.36 0.09 -0.73 0.00 0.00 179.01 178.56 1wx6 n ASN 50 N -5.28 -0.60 -4.19 1.04 3.02 -1.26 -2.52 115.26 105.47 1wx6 n ASN 50 Ca -0.11 1.58 -0.40 0.00 -0.03 0.00 0.00 54.58 55.62 1wx6 n ASN 50 Cb 0.32 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 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 -5.33 6.21 0.53 6.41 1.01 -1.22 -4.88 116.67 119.41 1wx6 s ASP 51 Ca -0.12 -3.30 0.32 0.00 0.71 0.00 0.00 52.55 50.16 1wx6 s ASP 51 Cb 0.18 -2.01 1.33 0.00 1.01 0.00 0.00 42.92 43.43 1wx6 s ASP 51 CO 0.64 -0.32 1.98 1.55 0.21 0.00 0.00 175.17 179.23 1wx6 h PRO 52 N 6.72 0.00 0.00 8.23 0.13 -1.54 -2.48 132.00 143.05 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 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1wx6 h PRO 52 CO 0.83 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 179.04 1wx6 n GLU 53 N -3.18 0.16 -4.77 0.86 -0.58 -1.26 -4.77 120.64 107.09 1wx6 n GLU 53 Ca 0.00 0.16 -0.31 0.00 -0.42 0.00 0.00 57.16 56.60 1wx6 n GLU 53 Cb 0.32 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.36 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 -3.08 2.50 0.08 -0.32 0.52 -0.94 -2.84 118.94 114.87 1wx6 s TRP 54 Ca 0.11 -0.30 0.07 0.00 0.02 0.00 0.00 56.10 56.00 1wx6 s TRP 54 Cb 0.14 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1wx6 s TRP 54 CO 0.54 0.20 -0.18 -1.58 0.02 0.00 0.00 176.95 175.95 1wx6 s TRP 55 N -0.86 1.58 -0.36 -1.98 0.51 0.47 -4.47 118.94 113.82 1wx6 s TRP 55 Ca 0.13 -0.42 -0.17 0.00 -2.12 0.00 0.00 56.10 53.52 1wx6 s TRP 55 Cb -0.10 -0.88 -0.00 0.00 -0.81 0.00 0.00 33.47 31.67 1wx6 s TRP 55 CO 0.04 0.14 0.44 0.21 -0.51 0.00 0.00 176.95 177.27 1wx6 s LYS 56 N -1.74 3.48 0.32 4.98 2.20 -0.74 -0.28 119.74 127.95 1wx6 s LYS 56 Ca 0.04 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 1wx6 s LYS 56 Cb -0.10 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1wx6 s LYS 56 CO 0.03 -0.65 0.09 0.00 -0.36 0.00 0.00 175.35 174.46 1wx6 s LYS 58 N -3.90 2.88 0.66 0.00 2.20 -1.18 -3.01 119.74 117.39 1wx6 s LYS 58 Ca 0.35 -0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 55.05 1wx6 s LYS 58 Cb 0.07 -2.40 0.15 0.00 -1.51 0.00 0.00 37.83 34.15 1wx6 s LYS 58 CO 0.15 -0.09 0.78 0.27 -0.36 0.00 0.00 175.35 176.10 1wx6 n ASN 59 N 4.29 -0.46 0.15 1.43 0.23 -0.77 -4.10 115.26 116.03 1wx6 n ASN 59 Ca -0.20 -1.18 0.04 0.00 -0.53 0.00 0.00 54.58 52.70 1wx6 n ASN 59 Cb 0.51 -0.63 0.44 0.00 -2.08 0.00 0.00 39.78 38.02 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 -2.05 1.62 0.00 -2.53 0.00 -1.91 -1.30 119.26 113.10 1wx6 h ALA 60 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wx6 h ALA 60 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wx6 h ALA 60 CO 0.18 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1wx6 h ARG 61 N 0.18 0.00 0.00 0.00 3.08 -1.96 -3.46 114.38 112.23 1wx6 h ARG 61 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1wx6 h ARG 61 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1wx6 h ARG 61 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1wx6 n GLY 62 N -0.04 0.73 3.86 0.04 0.00 -0.49 -5.07 105.19 104.23 1wx6 n GLY 62 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.71 3.86 0.11 1.61 1.11 -1.26 -4.79 119.66 119.58 1wx6 s GLN 63 Ca 0.00 0.64 0.10 0.00 0.01 0.00 0.00 55.36 56.11 1wx6 s GLN 63 Cb 0.00 -2.32 -0.04 0.00 -1.01 0.00 0.00 33.01 29.64 1wx6 s GLN 63 CO 0.00 -0.08 -0.25 0.14 0.01 0.00 0.00 175.29 175.11 1wx6 s VAL 64 N -2.40 2.36 0.05 1.09 -7.23 -1.26 -1.84 120.40 111.17 1wx6 s VAL 64 Ca 0.54 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 59.03 1wx6 s VAL 64 Cb -0.10 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.84 1wx6 s VAL 64 CO 0.30 0.16 0.33 0.61 -0.31 0.00 0.00 175.10 176.18 1wx6 n GLY 65 N 1.10 1.05 3.52 2.32 0.00 -1.16 -4.89 105.19 107.13 1wx6 n GLY 65 Ca -0.17 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 4.58 -0.07 0.99 1.43 0.14 -3.16 118.68 122.59 1wx6 s LEU 66 Ca 0.07 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1wx6 s LEU 66 Cb -0.01 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1wx6 s LEU 66 CO 0.02 -0.58 -0.10 0.54 0.23 0.00 0.00 176.35 176.45 1wx6 s VAL 67 N 2.38 3.38 -0.09 -1.59 0.11 0.62 -3.34 120.40 121.87 1wx6 s VAL 67 Ca 0.17 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.33 1wx6 s VAL 67 Cb -0.16 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 1wx6 s VAL 67 CO 0.15 0.58 1.52 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.61 4.20 0.45 1.54 0.04 -1.26 -0.40 135.00 138.96 1wx6 s PRO 68 Ca 0.09 2.01 0.17 0.00 0.04 0.00 0.00 61.00 63.30 1wx6 s PRO 68 Cb -0.11 -3.91 1.06 0.00 0.04 0.00 0.00 34.50 31.57 1wx6 s PRO 68 CO 0.01 -0.80 1.99 1.57 0.04 0.00 0.00 177.00 179.82 1wx6 h LYS 69 N 9.08 0.00 0.00 4.56 2.10 -1.86 -1.42 116.57 129.02 1wx6 h LYS 69 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1wx6 h LYS 69 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1wx6 h LYS 69 CO 0.96 0.19 0.00 0.09 -2.00 0.00 0.00 179.45 178.69 1wx6 n ASN 70 N -4.17 0.00 -0.04 7.07 3.02 -1.26 -1.74 115.26 118.14 1wx6 n ASN 70 Ca -0.02 0.49 0.01 0.00 -0.03 0.00 0.00 54.58 55.03 1wx6 n ASN 70 Cb 0.26 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 1wx6 n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wx6 n TYR 71 N -1.50 0.00 -3.66 3.10 4.02 -0.55 -5.02 117.16 113.56 1wx6 n TYR 71 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 1wx6 n TYR 71 Cb 0.09 -0.55 0.01 0.00 -0.02 0.00 0.00 39.34 38.87 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 -2.30 0.00 -3.67 -0.72 0.24 -0.71 -1.88 118.33 109.28 1wx6 n VAL 72 Ca -0.13 -1.87 -0.14 0.00 -2.04 0.00 0.00 64.34 60.15 1wx6 n VAL 72 Cb 0.70 -0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.35 0.00 -0.27 3.34 -7.23 -0.64 -4.88 120.40 108.37 1wx6 s VAL 73 Ca 0.33 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1wx6 s VAL 73 Cb -0.03 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.13 1wx6 s VAL 73 CO 0.21 -0.02 1.14 -0.69 -0.31 0.00 0.00 175.10 175.43 1wx6 s VAL 74 N 0.03 4.45 -0.19 1.32 1.01 -1.26 -1.25 120.40 124.52 1wx6 s VAL 74 Ca -0.02 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 1wx6 s VAL 74 Cb -0.04 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 1wx6 s VAL 74 CO 0.02 -0.35 -0.01 0.18 0.00 0.00 0.00 175.10 174.93 1wx6 n LEU 75 N 6.84 1.85 0.00 3.92 4.77 -0.06 -4.99 117.00 129.32 1wx6 n LEU 75 Ca 0.13 0.50 -0.20 0.00 -0.03 0.00 0.00 56.01 56.41 1wx6 n LEU 75 Cb 0.46 -0.91 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 1wx6 n LEU 75 CO 0.58 -0.02 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.31 1wx6 n SER 76 N -4.49 0.01 -3.88 -1.43 7.64 -1.17 -5.03 113.62 105.26 1wx6 n SER 76 Ca -0.23 -3.00 -0.24 0.00 1.01 0.00 0.00 58.87 56.40 1wx6 n SER 76 Cb 0.53 1.32 -0.17 0.00 -1.01 0.00 0.00 64.21 64.88 1wx6 n SER 76 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1wx6 s ASP 77 N -3.19 1.79 0.00 6.43 1.47 -1.26 -2.60 116.67 119.32 1wx6 s ASP 77 Ca 0.30 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.82 1wx6 s ASP 77 Cb 0.01 -0.67 0.00 0.00 -0.34 0.00 0.00 42.92 41.93 1wx6 s ASP 77 CO 0.21 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.56 1wx6 n GLY 78 N 4.77 -0.16 3.56 2.12 0.00 -0.83 -4.31 105.19 110.34 1wx6 n GLY 78 Ca -0.14 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1wx6 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx6 s PRO 79 N -4.26 2.54 -0.70 1.61 0.04 -1.26 -3.32 135.00 129.65 1wx6 s PRO 79 Ca 0.00 -0.49 -0.04 0.00 0.04 0.00 0.00 61.00 60.51 1wx6 s PRO 79 Cb 0.00 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1wx6 s PRO 79 CO 0.00 -3.51 0.61 0.00 0.04 0.00 0.00 177.00 174.14 1wx6 n ALA 80 N 14.06 -0.73 -2.69 8.56 0.00 -1.26 -5.02 120.51 133.42 1wx6 n ALA 80 Ca 0.41 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.66 1wx6 n ALA 80 Cb 0.47 -2.95 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 1wx6 n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wx6 s LEU 81 N -4.31 4.43 -0.04 0.00 2.96 -1.21 -5.09 118.68 115.42 1wx6 s LEU 81 Ca 0.27 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1wx6 s LEU 81 Cb -0.12 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1wx6 s LEU 81 CO 0.38 0.36 0.10 -1.38 -1.32 0.00 0.00 176.35 174.49 1wx6 s HIS 82 N -1.07 3.37 0.06 5.38 -3.43 -1.26 -4.84 115.29 113.51 1wx6 s HIS 82 Ca 0.20 0.29 -0.31 0.00 -0.80 0.00 0.00 55.06 54.44 1wx6 s HIS 82 Cb -0.14 -1.80 -0.07 0.00 -1.43 0.00 0.00 32.58 29.14 1wx6 s HIS 82 CO 0.09 0.59 1.40 -1.25 -2.00 0.00 0.00 174.74 173.57 1wx6 s PRO 83 N -1.52 4.30 0.21 -0.38 0.04 -1.26 -4.96 135.00 131.44 1wx6 s PRO 83 Ca 0.21 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.96 1wx6 s PRO 83 Cb -0.12 -3.41 -0.11 0.00 0.04 0.00 0.00 34.50 30.90 1wx6 s PRO 83 CO 0.11 -0.50 1.66 0.00 0.04 0.00 0.00 177.00 178.31 1wx6 s ALA 84 N 1.73 3.87 0.14 8.56 0.00 -1.26 -4.91 121.76 129.89 1wx6 s ALA 84 Ca 0.65 1.53 -0.17 0.00 0.00 0.00 0.00 51.96 53.97 1wx6 s ALA 84 Cb -0.34 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.12 1wx6 s ALA 84 CO 0.29 -0.90 1.76 0.45 0.00 0.00 0.00 175.76 177.36 1wx6 h HIS 85 N 6.43 0.24 -2.51 0.00 3.86 -2.06 -3.44 115.15 117.67 1wx6 h HIS 85 Ca -0.44 0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.26 1wx6 h HIS 85 Cb 1.20 -0.06 -0.14 0.00 1.06 0.00 0.00 27.41 29.47 1wx6 h HIS 85 CO 0.63 0.12 -0.71 -1.12 0.86 0.00 0.00 177.93 177.71 1wx6 s SER 86 N -5.37 3.04 0.00 2.45 0.01 -1.26 -5.02 113.70 107.55 1wx6 s SER 86 Ca -0.13 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1wx6 s SER 86 Cb 0.11 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1wx6 s SER 86 CO 0.70 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1wx6 n GLY 87 N -0.57 -1.98 3.71 3.44 0.00 -1.26 -5.16 105.19 103.37 1wx6 n GLY 87 Ca -0.06 0.66 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 1.02 0.31 1.61 0.04 -1.26 -5.07 135.00 131.64 1wx6 s PRO 88 Ca 0.00 0.73 0.09 0.00 0.04 0.00 0.00 61.00 61.86 1wx6 s PRO 88 Cb 0.00 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1wx6 s PRO 88 CO 0.00 -2.38 0.05 -1.12 0.04 0.00 0.00 177.00 173.58 1wx6 s SER 89 N -3.43 4.47 0.77 6.66 0.01 -1.26 -5.13 113.70 115.79 1wx6 s SER 89 Ca 0.64 -0.79 -0.11 0.00 1.31 0.00 0.00 55.95 56.99 1wx6 s SER 89 Cb -0.18 -0.71 0.05 0.00 0.21 0.00 0.00 66.02 65.40 1wx6 s SER 89 CO 0.57 -0.17 1.09 -0.44 0.41 0.00 0.00 173.24 174.70 1wx6 s SER 90 N -3.74 4.68 0.00 2.44 0.01 -1.26 -5.32 113.70 110.51 1wx6 s SER 90 Ca 0.35 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1wx6 s SER 90 Cb -0.03 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wx6 s SER 90 CO 0.21 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.60