#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 h SER 2 N 0.00 -2.14 -2.26 1.61 0.02 -2.11 -3.42 113.55 105.26 1wx6 h SER 2 Ca 0.00 0.33 -0.57 0.00 -0.84 0.00 0.00 61.79 60.70 1wx6 h SER 2 Cb 0.00 0.95 -0.13 0.00 0.14 0.00 0.00 62.40 63.35 1wx6 h SER 2 CO 0.00 -0.24 -0.64 -0.44 -1.14 0.00 0.00 176.83 174.37 1wx6 s SER 3 N -5.48 3.36 -0.12 3.07 0.01 -1.26 -5.09 113.70 108.20 1wx6 s SER 3 Ca -0.12 -1.28 -0.08 0.00 1.31 0.00 0.00 55.95 55.78 1wx6 s SER 3 Cb 0.11 -0.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 1wx6 s SER 3 CO 0.62 -0.37 0.13 1.23 0.41 0.00 0.00 173.24 175.26 1wx6 h GLY 4 N 2.01 0.00 -4.37 3.44 0.00 -2.04 -3.46 103.07 98.66 1wx6 h GLY 4 Ca -0.42 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.37 1wx6 h GLY 4 CO 0.73 0.00 0.87 -1.26 0.00 0.00 0.00 176.54 176.88 1wx6 n SER 5 N -4.71 3.80 -4.38 0.19 2.88 -1.26 -4.93 113.62 105.21 1wx6 n SER 5 Ca -0.04 1.14 -0.45 0.00 -1.33 0.00 0.00 58.87 58.18 1wx6 n SER 5 Cb 0.16 -1.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.03 1wx6 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wx6 s SER 6 N 0.53 6.96 0.00 -3.46 0.01 -1.26 -4.89 113.70 111.59 1wx6 s SER 6 Ca 0.65 -2.88 0.00 0.00 1.31 0.00 0.00 55.95 55.03 1wx6 s SER 6 Cb -0.51 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1wx6 s SER 6 CO 0.47 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1wx6 n GLY 7 N 3.94 0.58 3.12 3.44 0.00 -1.26 -5.06 105.19 109.93 1wx6 n GLY 7 Ca 0.23 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1wx6 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wx6 s LEU 8 N -0.70 1.87 -0.02 0.99 2.96 -1.26 -5.06 118.68 117.45 1wx6 s LEU 8 Ca 0.00 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1wx6 s LEU 8 Cb 0.00 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 1wx6 s LEU 8 CO 0.00 0.12 0.39 0.28 -1.32 0.00 0.00 176.35 175.83 1wx6 h SER 9 N 6.48 -0.17 -0.37 3.68 0.02 -2.02 -3.40 113.55 117.76 1wx6 h SER 9 Ca -0.31 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 1wx6 h SER 9 Cb 1.18 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1wx6 h SER 9 CO 0.48 0.04 0.11 0.20 -1.14 0.00 0.00 176.83 176.51 1wx6 s ASN 10 N -3.83 3.98 -0.01 3.07 0.01 -1.26 -4.77 114.94 112.13 1wx6 s ASN 10 Ca -0.03 -0.14 -0.23 0.00 -0.71 0.00 0.00 52.86 51.74 1wx6 s ASN 10 Cb 0.00 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 38.95 1wx6 s ASN 10 CO 0.09 -3.85 1.07 1.23 -1.51 0.00 0.00 177.10 174.13 1wx6 h GLY 11 N 22.03 -0.44 -1.47 0.66 0.00 -2.05 -3.45 103.07 118.35 1wx6 h GLY 11 Ca 0.02 0.16 -0.51 0.00 0.00 0.00 0.00 47.33 47.00 1wx6 h GLY 11 CO 1.03 -0.16 0.35 1.20 0.00 0.00 0.00 176.54 178.96 1wx6 s GLN 12 N -4.20 2.67 0.00 4.80 -1.52 -1.26 -5.01 119.66 115.13 1wx6 s GLN 12 Ca -0.13 1.19 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 1wx6 s GLN 12 Cb 0.02 -1.95 0.00 0.00 -0.22 0.00 0.00 33.01 30.86 1wx6 s GLN 12 CO 0.48 -1.33 0.00 0.41 -0.25 0.00 0.00 175.29 174.61 1wx6 n GLY 13 N -1.15 -2.81 3.00 3.09 0.00 -1.26 -5.11 105.19 100.95 1wx6 n GLY 13 Ca 0.09 -1.31 -0.52 0.00 0.00 0.00 0.00 46.02 44.27 1wx6 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wx6 n SER 14 N 2.91 0.40 -4.61 1.61 3.41 -1.26 -4.94 113.62 111.14 1wx6 n SER 14 Ca 0.00 0.98 -0.31 0.00 -0.26 0.00 0.00 58.87 59.28 1wx6 n SER 14 Cb 0.00 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.11 1wx6 n SER 14 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wx6 s ARG 15 N 1.00 2.10 -0.54 4.33 1.81 -1.26 -5.09 118.95 121.31 1wx6 s ARG 15 Ca 0.81 -2.31 -0.28 0.00 -1.72 0.00 0.00 55.73 52.22 1wx6 s ARG 15 Cb -1.14 -1.34 0.03 0.00 -0.45 0.00 0.00 34.95 32.05 1wx6 s ARG 15 CO 0.56 -0.35 1.14 0.08 -0.68 0.00 0.00 175.30 176.05 1wx6 s VAL 16 N -2.94 4.13 -0.07 3.52 1.01 -1.26 -4.23 120.40 120.57 1wx6 s VAL 16 Ca 0.13 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 1wx6 s VAL 16 Cb 0.03 -4.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 1wx6 s VAL 16 CO 0.07 -1.19 0.13 -0.07 0.00 0.00 0.00 175.10 174.04 1wx6 h LEU 17 N 11.54 -0.08 -7.23 3.92 3.38 -0.64 -3.39 115.31 122.81 1wx6 h LEU 17 Ca -0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1wx6 h LEU 17 Cb 1.06 0.02 -0.24 0.00 0.09 0.00 0.00 40.66 41.59 1wx6 h LEU 17 CO 1.15 0.30 -0.21 -1.00 0.09 0.00 0.00 178.44 178.77 1wx6 s HIS 18 N -1.77 -0.58 -0.26 1.13 3.76 -1.25 -2.58 115.29 113.75 1wx6 s HIS 18 Ca -0.01 1.32 -0.29 0.00 -0.15 0.00 0.00 55.06 55.93 1wx6 s HIS 18 Cb 0.00 0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.94 1wx6 s HIS 18 CO 0.04 -0.30 1.03 0.08 -0.85 0.00 0.00 174.74 174.74 1wx6 s VAL 19 N 0.77 4.64 0.23 -0.90 1.01 -1.16 -1.63 120.40 123.36 1wx6 s VAL 19 Ca -0.04 1.89 0.10 0.00 0.00 0.00 0.00 61.98 63.93 1wx6 s VAL 19 Cb -0.05 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1wx6 s VAL 19 CO -0.06 -0.27 -0.13 0.68 0.00 0.00 0.00 175.10 175.33 1wx6 s VAL 20 N 3.31 2.91 0.29 2.92 -7.23 -0.90 -0.73 120.40 120.97 1wx6 s VAL 20 Ca 0.44 -1.99 0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1wx6 s VAL 20 Cb -0.14 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1wx6 s VAL 20 CO 0.09 -0.25 -0.16 -1.58 -0.31 0.00 0.00 175.10 172.89 1wx6 s GLN 21 N -3.18 1.77 -0.29 4.82 0.74 -0.37 -0.89 119.66 122.26 1wx6 s GLN 21 Ca 0.27 -1.77 -0.10 0.00 0.05 0.00 0.00 55.36 53.81 1wx6 s GLN 21 Cb -0.07 -1.80 -0.03 0.00 1.10 0.00 0.00 33.01 32.22 1wx6 s GLN 21 CO 0.15 0.29 0.15 0.95 -0.55 0.00 0.00 175.29 176.28 1wx6 s THR 22 N -2.51 4.80 0.03 -0.34 -4.23 0.07 -1.67 115.64 111.79 1wx6 s THR 22 Ca 0.31 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 1wx6 s THR 22 Cb -0.04 -3.35 -0.33 0.00 1.34 0.00 0.00 72.50 70.12 1wx6 s THR 22 CO 0.16 0.19 0.99 -0.07 -0.54 0.00 0.00 174.62 175.35 1wx6 h LEU 23 N 8.34 0.70 -8.69 4.79 3.38 -1.68 -1.34 115.31 120.82 1wx6 h LEU 23 Ca -0.35 -0.78 -0.62 0.00 0.09 0.00 0.00 57.88 56.22 1wx6 h LEU 23 Cb 1.17 -0.23 -0.24 0.00 0.09 0.00 0.00 40.66 41.45 1wx6 h LEU 23 CO 0.59 1.62 -0.85 -0.31 0.09 0.00 0.00 178.44 179.58 1wx6 s TYR 24 N -2.61 2.01 -0.01 1.13 1.51 -1.25 -4.62 117.35 113.51 1wx6 s TYR 24 Ca -0.08 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 1wx6 s TYR 24 Cb 0.05 -1.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.69 1wx6 s TYR 24 CO 0.92 0.17 1.45 -1.25 -1.11 0.00 0.00 175.55 175.74 1wx6 s PRO 25 N -1.54 4.26 -0.13 -1.71 0.04 -1.26 -4.56 135.00 130.10 1wx6 s PRO 25 Ca 0.09 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.13 1wx6 s PRO 25 Cb -0.10 -3.64 0.04 0.00 0.04 0.00 0.00 34.50 30.85 1wx6 s PRO 25 CO 0.03 -0.64 0.01 0.12 0.04 0.00 0.00 177.00 176.56 1wx6 s PHE 26 N 2.70 0.89 -0.07 0.56 2.19 -1.16 -4.91 117.98 118.18 1wx6 s PHE 26 Ca 0.66 -0.50 0.04 0.00 0.33 0.00 0.00 56.93 57.45 1wx6 s PHE 26 Cb -0.32 -0.93 0.00 0.00 -1.31 0.00 0.00 43.02 40.46 1wx6 s PHE 26 CO 0.27 -0.46 -0.19 -1.54 1.83 0.00 0.00 175.22 175.12 1wx6 s SER 27 N 1.90 2.50 0.43 6.13 1.04 -1.26 -0.54 113.70 123.91 1wx6 s SER 27 Ca 0.03 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1wx6 s SER 27 Cb -0.14 -0.96 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 1wx6 s SER 27 CO -0.07 0.14 0.37 -0.55 0.98 0.00 0.00 173.24 174.12 1wx6 s SER 28 N 0.26 4.98 -0.22 7.02 0.15 -1.26 -5.00 113.70 119.63 1wx6 s SER 28 Ca -0.11 -0.81 0.12 0.00 0.70 0.00 0.00 55.95 55.85 1wx6 s SER 28 Cb -0.15 -0.48 -0.22 0.00 -1.71 0.00 0.00 66.02 63.46 1wx6 s SER 28 CO 0.05 -0.69 -0.04 0.52 1.20 0.00 0.00 173.24 174.28 1wx6 n VAL 29 N -1.55 1.41 -2.52 4.45 0.31 -1.26 -4.88 118.33 114.29 1wx6 n VAL 29 Ca 0.03 -0.74 -0.23 0.00 -0.01 0.00 0.00 64.34 63.39 1wx6 n VAL 29 Cb 0.62 -0.82 0.07 0.00 -0.91 0.00 0.00 33.84 32.80 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 -2.50 2.39 0.04 2.52 -1.32 -1.26 -5.02 115.64 110.50 1wx6 s THR 30 Ca -0.19 -0.55 -0.01 0.00 -1.21 0.00 0.00 61.69 59.73 1wx6 s THR 30 Cb 0.07 -2.85 -0.27 0.00 -1.51 0.00 0.00 72.50 67.95 1wx6 s THR 30 CO 0.73 0.00 1.01 -0.33 -2.21 0.00 0.00 174.62 173.82 1wx6 h GLU 31 N -0.31 0.21 -0.80 7.08 4.39 -1.98 -3.34 114.58 119.83 1wx6 h GLU 31 Ca -0.41 -0.36 0.17 0.00 0.34 0.00 0.00 59.36 59.10 1wx6 h GLU 31 Cb 1.29 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.92 1wx6 h GLU 31 CO 0.49 1.10 -0.16 0.93 -1.16 0.00 0.00 179.01 180.22 1wx6 h GLU 32 N 0.06 0.01 -7.09 2.33 3.07 -1.95 -3.41 114.58 107.59 1wx6 h GLU 32 Ca -0.17 -0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.21 1wx6 h GLU 32 Cb 1.97 -0.00 0.05 0.00 -0.84 0.00 0.00 28.75 29.93 1wx6 h GLU 32 CO 0.17 0.01 0.17 -1.21 -1.40 0.00 0.00 179.01 176.75 1wx6 s GLU 33 N -6.21 3.04 -0.03 2.33 2.02 -1.26 0.12 118.70 118.72 1wx6 s GLU 33 Ca -0.14 0.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 1wx6 s GLU 33 Cb 0.23 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1wx6 s GLU 33 CO 0.76 -0.61 0.16 -0.51 0.02 0.00 0.00 175.26 175.07 1wx6 s LEU 34 N -4.96 4.30 -0.22 1.80 1.43 -1.15 -4.57 118.68 115.31 1wx6 s LEU 34 Ca 0.53 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1wx6 s LEU 34 Cb -0.10 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.69 1wx6 s LEU 34 CO 0.45 0.30 -0.09 0.54 0.23 0.00 0.00 176.35 177.78 1wx6 s ASN 35 N -1.70 3.98 0.19 2.29 2.20 -1.26 -4.05 114.94 116.59 1wx6 s ASN 35 Ca 0.24 -0.67 0.04 0.00 -0.94 0.00 0.00 52.86 51.52 1wx6 s ASN 35 Cb -0.12 -1.63 -0.01 0.00 -2.00 0.00 0.00 41.25 37.48 1wx6 s ASN 35 CO 0.15 -0.06 0.17 2.22 -2.94 0.00 0.00 177.10 176.64 1wx6 n PHE 36 N 4.69 -0.53 -4.56 1.54 -1.74 0.30 -4.97 117.46 112.20 1wx6 n PHE 36 Ca -0.18 -1.53 -0.27 0.00 -0.56 0.00 0.00 57.45 54.91 1wx6 n PHE 36 Cb 0.49 0.18 -0.07 0.00 1.52 0.00 0.00 39.48 41.60 1wx6 n PHE 36 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1wx6 n GLU 37 N -0.35 0.62 -2.12 3.97 -0.58 -1.26 -2.97 120.64 117.95 1wx6 n GLU 37 Ca 0.04 -3.53 -0.43 0.00 -0.42 0.00 0.00 57.16 52.82 1wx6 n GLU 37 Cb 0.34 1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 32.89 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1wx6 s LYS 38 N -3.62 3.83 0.00 3.49 2.20 -1.26 -3.33 119.74 121.05 1wx6 s LYS 38 Ca 0.17 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 1wx6 s LYS 38 Cb 0.01 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 1wx6 s LYS 38 CO 0.12 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.27 1wx6 n GLY 39 N 4.60 0.67 3.45 5.54 0.00 -0.51 -4.97 105.19 113.97 1wx6 n GLY 39 Ca 0.19 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.83 2.72 -0.20 1.61 2.56 -1.21 -4.91 118.70 118.44 1wx6 s GLU 40 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 54.97 54.18 1wx6 s GLU 40 Cb 0.00 -2.43 -0.04 0.00 2.00 0.00 0.00 34.13 33.65 1wx6 s GLU 40 CO 0.00 0.52 0.10 0.99 -0.56 0.00 0.00 175.26 176.31 1wx6 s THR 41 N -0.45 5.06 0.42 -1.70 2.01 -1.26 -0.75 115.64 118.96 1wx6 s THR 41 Ca 0.06 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1wx6 s THR 41 Cb -0.12 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1wx6 s THR 41 CO 0.02 0.43 0.12 -0.04 -0.69 0.00 0.00 174.62 174.46 1wx6 s MET 42 N 0.53 1.97 -0.06 4.92 -1.94 -0.07 -4.71 119.30 119.93 1wx6 s MET 42 Ca 0.05 -2.21 -0.00 0.00 -1.71 0.00 0.00 55.69 51.82 1wx6 s MET 42 Cb -0.12 -0.71 0.02 0.00 2.01 0.00 0.00 34.83 36.03 1wx6 s MET 42 CO 0.00 -0.47 -0.03 -1.21 -0.01 0.00 0.00 175.02 173.31 1wx6 s GLU 43 N -3.72 0.78 -0.26 2.03 8.01 -1.25 -2.12 118.70 122.17 1wx6 s GLU 43 Ca 0.22 -0.02 -0.29 0.00 0.01 0.00 0.00 54.97 54.89 1wx6 s GLU 43 Cb 0.02 -0.97 -0.02 0.00 -4.31 0.00 0.00 34.13 28.86 1wx6 s GLU 43 CO 0.13 -0.20 1.53 0.08 0.01 0.00 0.00 175.26 176.81 1wx6 s VAL 44 N 1.49 3.81 -0.16 2.63 1.01 -0.65 -2.97 120.40 125.56 1wx6 s VAL 44 Ca -0.02 0.91 0.11 0.00 0.00 0.00 0.00 61.98 62.97 1wx6 s VAL 44 Cb -0.13 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 1wx6 s VAL 44 CO -0.03 -0.37 0.20 2.30 0.00 0.00 0.00 175.10 177.20 1wx6 n ILE 45 N 6.44 1.51 -3.56 2.22 -5.35 -0.68 0.11 119.36 120.06 1wx6 n ILE 45 Ca 0.18 -0.76 -0.16 0.00 -0.27 0.00 0.00 62.75 61.73 1wx6 n ILE 45 Cb 0.46 -0.94 -0.06 0.00 -1.74 0.00 0.00 39.64 37.36 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 -2.53 1.02 -0.16 6.28 2.56 -1.16 -4.42 118.70 120.28 1wx6 s GLU 46 Ca -0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.97 54.85 1wx6 s GLU 46 Cb 0.07 0.47 0.01 0.00 2.00 0.00 0.00 34.13 36.69 1wx6 s GLU 46 CO 0.78 -0.34 -0.21 0.15 -0.56 0.00 0.00 175.26 175.08 1wx6 s LYS 47 N -1.74 3.01 0.11 4.30 1.02 -1.26 -1.52 119.74 123.66 1wx6 s LYS 47 Ca -0.09 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.75 1wx6 s LYS 47 Cb -0.01 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1wx6 s LYS 47 CO 0.04 -0.12 1.37 -1.25 -0.92 0.00 0.00 175.35 174.47 1wx6 s PRO 48 N 1.07 4.33 -0.05 -1.68 0.04 -1.26 -4.97 135.00 132.48 1wx6 s PRO 48 Ca -0.01 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1wx6 s PRO 48 Cb -0.14 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1wx6 s PRO 48 CO -0.08 -0.42 0.33 1.49 0.04 0.00 0.00 177.00 178.37 1wx6 h GLU 49 N 6.83 -0.25 -0.80 4.56 4.81 -1.98 -3.22 114.58 124.53 1wx6 h GLU 49 Ca -0.42 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1wx6 h GLU 49 Cb 1.21 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.51 1wx6 h GLU 49 CO 0.86 -0.17 -0.34 -0.91 -0.73 0.00 0.00 179.01 177.72 1wx6 h ASN 50 N -0.91 -1.24 -3.70 1.04 4.21 -2.00 -3.06 115.58 109.92 1wx6 h ASN 50 Ca -0.03 0.27 -0.71 0.00 1.21 0.00 0.00 56.30 57.04 1wx6 h ASN 50 Cb 0.20 0.65 -0.34 0.00 -1.12 0.00 0.00 38.32 37.70 1wx6 h ASN 50 CO 0.04 -0.29 -0.16 -0.62 -1.29 0.00 0.00 177.43 175.11 1wx6 s ASP 51 N -5.26 5.81 0.42 5.81 -1.08 -1.26 -4.89 116.67 116.22 1wx6 s ASP 51 Ca -0.14 -3.32 0.29 0.00 -0.52 0.00 0.00 52.55 48.86 1wx6 s ASP 51 Cb 0.19 -1.92 1.21 0.00 -1.46 0.00 0.00 42.92 40.94 1wx6 s ASP 51 CO 0.71 -0.29 1.86 1.55 0.52 0.00 0.00 175.17 179.53 1wx6 h PRO 52 N 6.54 0.00 0.00 4.34 0.13 -1.54 -2.66 132.00 138.82 1wx6 h PRO 52 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1wx6 h PRO 52 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wx6 h PRO 52 CO 0.80 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.50 1wx6 h GLU 53 N 0.00 0.00 -6.34 0.86 5.08 -1.90 -3.44 114.58 108.84 1wx6 h GLU 53 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1wx6 h GLU 53 Cb 0.43 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.55 1wx6 h GLU 53 CO 0.00 0.00 -0.70 -1.58 -1.00 0.00 0.00 179.01 175.73 1wx6 s TRP 54 N -3.48 2.61 0.06 4.33 0.52 -1.00 -3.00 118.94 118.97 1wx6 s TRP 54 Ca 0.03 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.95 1wx6 s TRP 54 Cb 0.09 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 1wx6 s TRP 54 CO 0.47 0.57 -0.11 -1.58 0.02 0.00 0.00 176.95 176.32 1wx6 s TRP 55 N -2.00 0.95 -0.36 -1.98 0.51 0.98 -4.29 118.94 112.75 1wx6 s TRP 55 Ca 0.28 -0.47 -0.15 0.00 -2.12 0.00 0.00 56.10 53.64 1wx6 s TRP 55 Cb -0.08 -0.55 -0.01 0.00 -0.81 0.00 0.00 33.47 32.03 1wx6 s TRP 55 CO 0.17 -0.01 0.33 0.21 -0.51 0.00 0.00 176.95 177.14 1wx6 s LYS 56 N -1.62 3.42 0.23 4.98 2.20 -0.58 -0.29 119.74 128.08 1wx6 s LYS 56 Ca -0.05 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1wx6 s LYS 56 Cb -0.10 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1wx6 s LYS 56 CO 0.01 -0.57 0.04 0.00 -0.36 0.00 0.00 175.35 174.48 1wx6 s LYS 58 N -3.95 2.74 0.73 0.00 2.20 -1.16 -2.51 119.74 117.79 1wx6 s LYS 58 Ca 0.31 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 55.10 1wx6 s LYS 58 Cb 0.07 -2.29 0.07 0.00 -1.51 0.00 0.00 37.83 34.17 1wx6 s LYS 58 CO 0.10 -0.09 1.05 0.54 -0.36 0.00 0.00 175.35 176.59 1wx6 s ASN 59 N 1.02 4.72 0.64 1.43 6.03 -0.93 -3.90 114.94 123.94 1wx6 s ASN 59 Ca -0.03 0.50 0.25 0.00 -1.03 0.00 0.00 52.86 52.55 1wx6 s ASN 59 Cb -0.15 -1.10 1.32 0.00 -3.03 0.00 0.00 41.25 38.29 1wx6 s ASN 59 CO -0.05 -1.68 1.75 0.00 -2.03 0.00 0.00 177.10 175.09 1wx6 h ALA 60 N -0.70 1.72 0.00 3.54 0.00 -1.91 0.69 119.26 122.59 1wx6 h ALA 60 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wx6 h ALA 60 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wx6 h ALA 60 CO 0.61 -0.60 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1wx6 n ARG 61 N -3.06 0.80 -1.91 0.00 5.12 -1.26 -4.83 116.66 111.52 1wx6 n ARG 61 Ca 0.02 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.74 1wx6 n ARG 61 Cb 0.60 -1.17 -0.06 0.00 -1.16 0.00 0.00 32.46 30.67 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 0.40 1.00 3.44 -0.13 0.00 0.24 -4.97 105.19 105.18 1wx6 n GLY 62 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.25 2.84 0.08 1.61 -0.21 -1.24 -4.93 119.66 113.56 1wx6 s GLN 63 Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.71 1wx6 s GLN 63 Cb 0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1wx6 s GLN 63 CO 0.00 0.48 0.15 0.14 -2.12 0.00 0.00 175.29 173.93 1wx6 s VAL 64 N -0.34 4.93 0.10 1.09 -7.23 -1.26 -2.18 120.40 115.51 1wx6 s VAL 64 Ca 0.03 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 1wx6 s VAL 64 Cb -0.13 -3.41 0.04 0.00 0.56 0.00 0.00 36.38 33.45 1wx6 s VAL 64 CO 0.02 0.11 0.60 0.61 -0.31 0.00 0.00 175.10 176.13 1wx6 n GLY 65 N 0.28 0.88 3.56 2.32 0.00 -1.04 -4.87 105.19 106.32 1wx6 n GLY 65 Ca -0.07 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.28 -0.06 0.99 1.43 0.12 -3.06 118.68 122.38 1wx6 s LEU 66 Ca 0.13 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1wx6 s LEU 66 Cb -0.02 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1wx6 s LEU 66 CO 0.03 -0.63 -0.20 0.54 0.23 0.00 0.00 176.35 176.32 1wx6 s VAL 67 N 2.76 2.57 -0.09 -1.59 0.11 0.60 -2.92 120.40 121.83 1wx6 s VAL 67 Ca 0.25 -0.89 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 1wx6 s VAL 67 Cb -0.14 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1wx6 s VAL 67 CO 0.16 0.57 1.52 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.37 4.20 0.24 1.54 0.04 -1.26 -0.01 135.00 139.38 1wx6 s PRO 68 Ca 0.03 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 1wx6 s PRO 68 Cb -0.12 -3.91 0.27 0.00 0.04 0.00 0.00 34.50 30.78 1wx6 s PRO 68 CO 0.02 -0.80 1.81 1.57 0.04 0.00 0.00 177.00 179.64 1wx6 h LYS 69 N 9.08 1.06 -0.06 4.56 2.10 -1.87 -1.86 116.57 129.58 1wx6 h LYS 69 Ca -0.35 -0.19 0.02 0.00 -2.00 0.00 0.00 60.65 58.13 1wx6 h LYS 69 Cb 1.15 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1wx6 h LYS 69 CO 0.96 0.87 0.30 -0.91 -2.00 0.00 0.00 179.45 178.67 1wx6 h ASN 70 N 1.03 0.00 0.45 7.07 4.21 -1.91 0.28 115.58 126.71 1wx6 h ASN 70 Ca 0.24 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.52 1wx6 h ASN 70 Cb 0.22 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.38 1wx6 h ASN 70 CO -0.02 0.00 -1.73 -1.22 -1.29 0.00 0.00 177.43 173.17 1wx6 n TYR 71 N -3.06 0.70 -3.50 1.19 4.02 -0.72 -4.96 117.16 110.83 1wx6 n TYR 71 Ca -0.01 0.24 -0.17 0.00 -0.01 0.00 0.00 57.90 57.95 1wx6 n TYR 71 Cb 0.37 -1.04 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 -2.84 0.00 -3.64 -0.72 0.24 0.99 -1.75 118.33 110.61 1wx6 n VAL 72 Ca -0.16 -1.51 -0.14 0.00 -2.04 0.00 0.00 64.34 60.49 1wx6 n VAL 72 Cb 0.93 -0.34 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.84 -0.00 -0.28 3.34 -7.23 -0.67 -4.87 120.40 108.85 1wx6 s VAL 73 Ca 0.31 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 1wx6 s VAL 73 Cb -0.02 -0.95 -0.00 0.00 0.56 0.00 0.00 36.38 35.96 1wx6 s VAL 73 CO 0.19 0.00 1.31 -0.69 -0.31 0.00 0.00 175.10 175.60 1wx6 s VAL 74 N 0.37 4.15 -0.08 1.32 1.01 -1.26 -1.23 120.40 124.68 1wx6 s VAL 74 Ca -0.00 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.23 1wx6 s VAL 74 Cb -0.05 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1wx6 s VAL 74 CO 0.01 -0.43 -0.10 -0.07 0.00 0.00 0.00 175.10 174.51 1wx6 h LEU 75 N 10.77 0.00 -9.74 3.92 3.38 -1.29 -3.49 115.31 118.87 1wx6 h LEU 75 Ca -0.26 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.17 1wx6 h LEU 75 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1wx6 h LEU 75 CO 1.02 0.42 -0.58 -0.55 0.09 0.00 0.00 178.44 178.85 1wx6 s SER 76 N -4.76 5.14 -0.92 -0.43 0.15 -1.16 -5.02 113.70 106.69 1wx6 s SER 76 Ca -0.08 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.13 1wx6 s SER 76 Cb 0.01 -1.20 0.23 0.00 -1.71 0.00 0.00 66.02 63.36 1wx6 s SER 76 CO 0.12 0.00 0.84 1.51 1.20 0.00 0.00 173.24 176.91 1wx6 s ASP 77 N -3.60 6.48 0.00 5.45 1.47 -1.26 -3.00 116.67 122.21 1wx6 s ASP 77 Ca 0.32 -3.37 0.00 0.00 1.18 0.00 0.00 52.55 50.68 1wx6 s ASP 77 Cb -0.08 -2.06 0.00 0.00 -0.34 0.00 0.00 42.92 40.44 1wx6 s ASP 77 CO 0.22 -0.32 0.00 0.61 0.68 0.00 0.00 175.17 176.37 1wx6 n GLY 78 N 2.92 0.97 0.00 2.12 0.00 -1.06 -4.57 105.19 105.57 1wx6 n GLY 78 Ca 0.19 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 1.16 0.40 -2.40 1.61 -0.04 -1.26 -4.77 135.00 129.70 1wx6 n PRO 79 Ca 0.00 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 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 -1.09 -0.65 -0.97 0.55 0.00 -1.26 -4.97 120.51 112.12 1wx6 n ALA 80 Ca 0.10 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 1wx6 n ALA 80 Cb 0.07 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.40 1wx6 n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wx6 n LEU 81 N -1.95 -5.65 -2.72 0.00 7.94 -1.26 -3.73 117.00 109.62 1wx6 n LEU 81 Ca -0.08 0.20 -0.12 0.00 -1.11 0.00 0.00 56.01 54.91 1wx6 n LEU 81 Cb 0.55 -0.73 0.06 0.00 0.53 0.00 0.00 43.42 43.83 1wx6 n LEU 81 CO 0.18 -5.73 0.06 1.57 -1.11 0.00 0.00 177.39 172.37 1wx6 n HIS 82 N -2.33 -1.60 0.37 1.96 -0.00 -1.26 -4.91 115.22 107.44 1wx6 n HIS 82 Ca -0.01 0.65 0.13 0.00 0.46 0.00 0.00 57.72 58.94 1wx6 n HIS 82 Cb 0.53 -4.03 0.53 0.00 -0.12 0.00 0.00 29.99 26.91 1wx6 n HIS 82 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1wx6 h PRO 83 N -1.17 0.00 -7.26 1.57 0.13 -1.94 -3.45 132.00 119.88 1wx6 h PRO 83 Ca -0.42 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.22 1wx6 h PRO 83 Cb 1.23 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 1wx6 h PRO 83 CO 0.34 0.00 0.39 0.00 -0.23 0.00 0.00 178.00 178.50 1wx6 s ALA 84 N -3.39 3.07 0.31 -0.56 0.00 -1.26 -4.98 121.76 114.95 1wx6 s ALA 84 Ca 0.03 0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1wx6 s ALA 84 Cb 0.09 -3.11 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 1wx6 s ALA 84 CO 0.41 -0.42 0.93 0.72 0.00 0.00 0.00 175.76 177.41 1wx6 n HIS 85 N -2.03 0.97 -3.44 0.00 8.25 -1.26 -4.99 115.22 112.71 1wx6 n HIS 85 Ca 0.06 0.70 -0.15 0.00 -0.26 0.00 0.00 57.72 58.08 1wx6 n HIS 85 Cb 0.54 -2.20 -0.11 0.00 1.12 0.00 0.00 29.99 29.34 1wx6 n HIS 85 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wx6 s SER 86 N -0.65 0.90 0.00 0.41 0.15 -1.26 -5.08 113.70 108.17 1wx6 s SER 86 Ca 0.60 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1wx6 s SER 86 Cb -0.69 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wx6 s SER 86 CO 0.59 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1wx6 n GLY 87 N 5.34 1.99 3.74 9.45 0.00 -1.26 -5.14 105.19 119.31 1wx6 n GLY 87 Ca -0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 1.16 1.63 -1.04 1.61 0.04 -1.26 -4.06 135.00 133.09 1wx6 s PRO 88 Ca 0.00 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 1wx6 s PRO 88 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1wx6 s PRO 88 CO 0.00 -2.02 0.89 0.45 0.04 0.00 0.00 177.00 176.36 1wx6 n SER 89 N -3.75 -3.98 -0.23 6.66 2.88 -1.26 -4.90 113.62 109.04 1wx6 n SER 89 Ca 0.08 -0.46 0.02 0.00 -1.33 0.00 0.00 58.87 57.18 1wx6 n SER 89 Cb 0.54 -4.18 0.12 0.00 -0.75 0.00 0.00 64.21 59.94 1wx6 n SER 89 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wx6 h SER 90 N -1.89 -0.37 0.00 -3.46 0.02 -2.02 -3.54 113.55 102.29 1wx6 h SER 90 Ca -0.47 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1wx6 h SER 90 Cb 1.29 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1wx6 h SER 90 CO 0.43 -0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.57