#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 6.48 0.76 1.61 1.04 -1.26 -5.05 113.70 117.28 1wx6 s SER 2 Ca 0.00 0.60 -0.16 0.00 0.48 0.00 0.00 55.95 56.86 1wx6 s SER 2 Cb 0.00 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.94 1wx6 s SER 2 CO 0.00 0.01 0.04 -1.54 0.98 0.00 0.00 173.24 172.74 1wx6 n SER 3 N -0.09 -3.03 0.00 7.02 3.41 -1.26 -5.01 113.62 114.66 1wx6 n SER 3 Ca -0.02 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1wx6 n SER 3 Cb 0.52 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1wx6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wx6 n GLY 4 N 2.28 5.28 3.59 5.00 0.00 -1.26 -5.12 105.19 114.96 1wx6 n GLY 4 Ca 0.06 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 1wx6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wx6 n SER 5 N 0.00 0.20 -4.85 1.61 7.64 -1.26 -4.97 113.62 111.98 1wx6 n SER 5 Ca 0.00 0.67 -0.32 0.00 1.01 0.00 0.00 58.87 60.24 1wx6 n SER 5 Cb 0.00 -1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 61.81 1wx6 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wx6 s SER 6 N -1.55 6.52 0.20 6.43 1.04 -1.26 -5.08 113.70 120.01 1wx6 s SER 6 Ca 0.72 1.46 -0.21 0.00 0.48 0.00 0.00 55.95 58.40 1wx6 s SER 6 Cb -0.36 -2.47 0.05 0.00 0.10 0.00 0.00 66.02 63.34 1wx6 s SER 6 CO 0.51 -0.61 0.62 -0.83 0.98 0.00 0.00 173.24 173.91 1wx6 s GLY 7 N -3.32 -0.37 -0.18 7.32 0.00 -1.26 -5.18 107.32 104.33 1wx6 s GLY 7 Ca 0.57 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 45.12 1wx6 s GLY 7 CO 0.36 0.01 1.01 0.48 0.00 0.00 0.00 173.10 174.96 1wx6 s LEU 8 N -2.82 -0.37 -0.10 0.66 2.34 -1.26 -5.16 118.68 111.96 1wx6 s LEU 8 Ca 0.05 0.46 0.01 0.00 0.06 0.00 0.00 54.13 54.71 1wx6 s LEU 8 Cb -0.02 1.85 -0.02 0.00 -0.56 0.00 0.00 46.19 47.43 1wx6 s LEU 8 CO -0.05 -0.31 -0.11 -0.44 -1.06 0.00 0.00 176.35 174.39 1wx6 s SER 9 N -0.90 4.29 -0.28 1.48 0.01 -1.26 -5.10 113.70 111.94 1wx6 s SER 9 Ca -0.01 -0.19 -0.25 0.00 1.31 0.00 0.00 55.95 56.81 1wx6 s SER 9 Cb -0.01 -1.33 0.12 0.00 0.21 0.00 0.00 66.02 65.01 1wx6 s SER 9 CO 0.00 0.26 1.01 0.54 0.41 0.00 0.00 173.24 175.46 1wx6 s ASN 10 N -0.21 -0.47 0.00 2.44 2.20 -1.26 -5.17 114.94 112.48 1wx6 s ASN 10 Ca 0.01 0.90 0.00 0.00 -0.94 0.00 0.00 52.86 52.83 1wx6 s ASN 10 Cb -0.13 0.91 0.00 0.00 -2.00 0.00 0.00 41.25 40.03 1wx6 s ASN 10 CO 0.03 -0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.63 1wx6 n GLY 11 N 2.20 2.59 3.64 0.45 0.00 -1.26 -5.11 105.19 107.70 1wx6 n GLY 11 Ca -0.12 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.83 0.00 1.61 -1.52 -1.26 -4.60 119.66 117.73 1wx6 s GLN 12 Ca 0.00 2.34 0.00 0.00 -1.95 0.00 0.00 55.36 55.75 1wx6 s GLN 12 Cb 0.00 -4.20 0.00 0.00 -0.22 0.00 0.00 33.01 28.59 1wx6 s GLN 12 CO 0.00 -1.30 0.00 0.41 -0.25 0.00 0.00 175.29 174.15 1wx6 n GLY 13 N 4.86 0.15 3.77 3.09 0.00 -1.26 -5.11 105.19 110.69 1wx6 n GLY 13 Ca 0.22 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1wx6 n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx6 s SER 14 N -4.00 6.53 0.51 1.61 0.15 -1.26 -5.04 113.70 112.19 1wx6 s SER 14 Ca 0.00 2.51 0.04 0.00 0.70 0.00 0.00 55.95 59.19 1wx6 s SER 14 Cb 0.00 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wx6 s SER 14 CO 0.00 -0.68 0.18 -0.13 1.20 0.00 0.00 173.24 173.81 1wx6 s ARG 15 N -2.14 2.22 -0.44 5.44 0.52 -1.26 -4.95 118.95 118.33 1wx6 s ARG 15 Ca 0.55 -2.17 -0.29 0.00 -0.52 0.00 0.00 55.73 53.30 1wx6 s ARG 15 Cb -0.35 -1.82 0.03 0.00 0.52 0.00 0.00 34.95 33.33 1wx6 s ARG 15 CO 0.45 -0.42 1.11 0.08 0.02 0.00 0.00 175.30 176.54 1wx6 s VAL 16 N -2.79 4.29 -0.06 3.52 1.01 -1.26 -4.41 120.40 120.70 1wx6 s VAL 16 Ca 0.22 1.30 -0.08 0.00 0.00 0.00 0.00 61.98 63.43 1wx6 s VAL 16 Cb 0.01 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1wx6 s VAL 16 CO 0.13 -0.88 0.34 -0.07 0.00 0.00 0.00 175.10 174.62 1wx6 h LEU 17 N 10.92 -0.23 -7.37 3.92 3.38 -0.98 -3.40 115.31 121.54 1wx6 h LEU 17 Ca -0.23 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1wx6 h LEU 17 Cb 1.06 0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.68 1wx6 h LEU 17 CO 1.10 0.18 -0.15 -1.00 0.09 0.00 0.00 178.44 178.66 1wx6 s HIS 18 N -2.43 -0.31 -0.19 1.13 3.76 -1.25 -2.77 115.29 113.23 1wx6 s HIS 18 Ca -0.04 0.49 -0.16 0.00 -0.15 0.00 0.00 55.06 55.20 1wx6 s HIS 18 Cb 0.00 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.84 1wx6 s HIS 18 CO 0.12 -0.45 0.42 0.08 -0.85 0.00 0.00 174.74 174.06 1wx6 s VAL 19 N -1.32 5.19 0.25 -0.90 1.01 -1.08 -0.52 120.40 123.01 1wx6 s VAL 19 Ca -0.13 0.76 0.10 0.00 0.00 0.00 0.00 61.98 62.71 1wx6 s VAL 19 Cb -0.04 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1wx6 s VAL 19 CO 0.06 0.26 -0.17 0.68 0.00 0.00 0.00 175.10 175.92 1wx6 s VAL 20 N 1.24 2.14 0.29 2.92 -7.23 -0.97 -0.65 120.40 118.13 1wx6 s VAL 20 Ca 0.20 -2.32 0.11 0.00 -1.81 0.00 0.00 61.98 58.17 1wx6 s VAL 20 Cb -0.15 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1wx6 s VAL 20 CO 0.08 -0.49 -0.17 -1.58 -0.31 0.00 0.00 175.10 172.63 1wx6 s GLN 21 N -3.57 1.74 -0.35 4.82 0.74 0.11 -2.00 119.66 121.16 1wx6 s GLN 21 Ca 0.27 -1.78 -0.11 0.00 0.05 0.00 0.00 55.36 53.79 1wx6 s GLN 21 Cb -0.03 -1.78 0.01 0.00 1.10 0.00 0.00 33.01 32.31 1wx6 s GLN 21 CO 0.11 0.30 0.19 0.95 -0.55 0.00 0.00 175.29 176.29 1wx6 s THR 22 N -2.52 4.67 0.09 -0.34 -4.23 0.11 -1.73 115.64 111.68 1wx6 s THR 22 Ca 0.31 -0.62 -0.09 0.00 -1.18 0.00 0.00 61.69 60.10 1wx6 s THR 22 Cb -0.04 -3.49 -0.24 0.00 1.34 0.00 0.00 72.50 70.07 1wx6 s THR 22 CO 0.16 -0.09 1.20 -0.07 -0.54 0.00 0.00 174.62 175.27 1wx6 h LEU 23 N 8.41 0.69 -8.47 4.79 3.38 -1.79 -0.68 115.31 121.64 1wx6 h LEU 23 Ca -0.29 -0.61 -0.52 0.00 0.09 0.00 0.00 57.88 56.56 1wx6 h LEU 23 Cb 1.13 -0.22 -0.25 0.00 0.09 0.00 0.00 40.66 41.41 1wx6 h LEU 23 CO 0.65 1.42 -0.82 -0.31 0.09 0.00 0.00 178.44 179.47 1wx6 s TYR 24 N -3.09 1.55 0.01 1.13 1.51 -1.25 -4.57 117.35 112.63 1wx6 s TYR 24 Ca -0.07 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1wx6 s TYR 24 Cb 0.07 -0.91 -0.06 0.00 -0.11 0.00 0.00 41.96 40.95 1wx6 s TYR 24 CO 0.90 0.08 1.44 -1.25 -1.11 0.00 0.00 175.55 175.61 1wx6 s PRO 25 N -1.27 4.27 -0.20 -1.71 0.04 -1.26 -4.62 135.00 130.25 1wx6 s PRO 25 Ca 0.05 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 1wx6 s PRO 25 Cb -0.09 -3.58 0.06 0.00 0.04 0.00 0.00 34.50 30.93 1wx6 s PRO 25 CO 0.02 -0.60 -0.00 0.12 0.04 0.00 0.00 177.00 176.57 1wx6 s PHE 26 N 2.44 1.50 -0.23 0.56 2.19 -1.21 -4.91 117.98 118.32 1wx6 s PHE 26 Ca 0.65 -1.12 -0.01 0.00 0.33 0.00 0.00 56.93 56.79 1wx6 s PHE 26 Cb -0.33 -1.22 0.03 0.00 -1.31 0.00 0.00 43.02 40.19 1wx6 s PHE 26 CO 0.27 -0.65 -0.10 0.45 1.83 0.00 0.00 175.22 177.02 1wx6 s SER 27 N 1.70 4.03 0.79 6.13 0.15 -1.26 -2.04 113.70 123.20 1wx6 s SER 27 Ca -0.02 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.75 1wx6 s SER 27 Cb -0.17 -1.61 0.15 0.00 -1.71 0.00 0.00 66.02 62.68 1wx6 s SER 27 CO -0.07 -0.09 0.95 -1.54 1.20 0.00 0.00 173.24 173.69 1wx6 n SER 28 N 4.64 0.81 -0.00 5.45 3.41 -1.25 -5.04 113.62 121.63 1wx6 n SER 28 Ca -0.17 -1.79 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 1wx6 n SER 28 Cb 0.48 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1wx6 n SER 28 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1wx6 n VAL 29 N -2.96 0.00 -4.10 -3.33 0.31 -1.26 -4.95 118.33 102.04 1wx6 n VAL 29 Ca 0.14 -0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 64.15 1wx6 n VAL 29 Cb 0.50 0.45 -0.05 0.00 -0.91 0.00 0.00 33.84 33.83 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 -2.19 4.48 0.33 2.52 -1.32 -1.26 -5.01 115.64 113.19 1wx6 s THR 30 Ca -0.01 -1.23 0.15 0.00 -1.21 0.00 0.00 61.69 59.39 1wx6 s THR 30 Cb 0.02 -3.35 0.11 0.00 -1.51 0.00 0.00 72.50 67.77 1wx6 s THR 30 CO 0.13 -0.23 1.82 1.05 -2.21 0.00 0.00 174.62 175.18 1wx6 h GLU 31 N 1.96 0.00 -0.70 7.08 9.09 -1.98 -3.05 114.58 126.98 1wx6 h GLU 31 Ca -0.48 0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.05 1wx6 h GLU 31 Cb 1.22 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.23 1wx6 h GLU 31 CO 0.62 0.37 0.27 0.93 0.05 0.00 0.00 179.01 181.25 1wx6 h GLU 32 N 0.00 0.42 -7.04 1.06 5.08 -1.95 -3.42 114.58 108.72 1wx6 h GLU 32 Ca -0.00 -0.03 -0.47 0.00 -1.00 0.00 0.00 59.36 57.86 1wx6 h GLU 32 Cb 0.71 -0.09 0.05 0.00 0.50 0.00 0.00 28.75 29.92 1wx6 h GLU 32 CO 0.05 0.28 0.12 -1.21 -1.00 0.00 0.00 179.01 177.24 1wx6 s GLU 33 N -6.05 2.82 0.05 2.33 2.02 -1.15 -0.07 118.70 118.64 1wx6 s GLU 33 Ca -0.13 -0.19 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 1wx6 s GLU 33 Cb 0.19 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 1wx6 s GLU 33 CO 0.76 -0.70 0.21 -0.51 0.02 0.00 0.00 175.26 175.04 1wx6 s LEU 34 N -4.93 4.36 -0.16 1.80 1.43 -1.17 -4.56 118.68 115.46 1wx6 s LEU 34 Ca 0.54 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1wx6 s LEU 34 Cb -0.10 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1wx6 s LEU 34 CO 0.43 0.18 -0.18 0.20 0.23 0.00 0.00 176.35 177.22 1wx6 s ASN 35 N -2.42 3.40 0.20 2.29 0.01 -1.26 -3.95 114.94 113.22 1wx6 s ASN 35 Ca 0.34 -0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 1wx6 s ASN 35 Cb -0.13 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 40.02 1wx6 s ASN 35 CO 0.26 0.05 0.29 2.22 -1.51 0.00 0.00 177.10 178.42 1wx6 n PHE 36 N 4.30 -1.09 -4.33 2.20 -1.74 -0.87 -4.98 117.46 110.95 1wx6 n PHE 36 Ca -0.20 -1.29 -0.16 0.00 -0.56 0.00 0.00 57.45 55.25 1wx6 n PHE 36 Cb 0.51 0.33 -0.04 0.00 1.52 0.00 0.00 39.48 41.80 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 -0.32 0.91 -2.28 3.97 0.28 -1.26 -3.31 120.64 118.62 1wx6 n GLU 37 Ca -0.00 -2.01 -0.42 0.00 -0.16 0.00 0.00 57.16 54.57 1wx6 n GLU 37 Cb 0.33 0.92 -0.03 0.00 1.43 0.00 0.00 31.44 34.09 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1wx6 s LYS 38 N -2.93 4.38 -0.17 3.44 2.20 -1.26 -3.56 119.74 121.83 1wx6 s LYS 38 Ca 0.08 1.95 -0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1wx6 s LYS 38 Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1wx6 s LYS 38 CO 0.06 -0.34 0.14 0.41 -0.36 0.00 0.00 175.35 175.27 1wx6 n GLY 39 N 3.23 0.41 3.58 5.54 0.00 -0.26 -4.97 105.19 112.71 1wx6 n GLY 39 Ca 0.10 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 1wx6 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wx6 s GLU 40 N -4.37 2.21 -0.01 1.61 2.02 -1.23 -4.91 118.70 114.01 1wx6 s GLU 40 Ca 0.02 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.07 1wx6 s GLU 40 Cb -0.01 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1wx6 s GLU 40 CO 0.10 0.52 -0.08 0.99 0.02 0.00 0.00 175.26 176.82 1wx6 s THR 41 N -1.17 3.57 0.36 3.63 2.01 -1.26 -0.71 115.64 122.06 1wx6 s THR 41 Ca 0.21 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1wx6 s THR 41 Cb -0.11 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.90 1wx6 s THR 41 CO 0.12 0.44 0.56 -0.04 -0.69 0.00 0.00 174.62 175.02 1wx6 s MET 42 N -1.25 2.00 -0.03 4.92 -1.94 -0.85 -4.72 119.30 117.44 1wx6 s MET 42 Ca 0.16 -1.68 0.02 0.00 -1.71 0.00 0.00 55.69 52.48 1wx6 s MET 42 Cb -0.11 0.49 0.01 0.00 2.01 0.00 0.00 34.83 37.23 1wx6 s MET 42 CO 0.06 -0.86 -0.06 -1.21 -0.01 0.00 0.00 175.02 172.94 1wx6 s GLU 43 N -2.86 0.76 -0.52 2.03 2.02 -1.26 -2.30 118.70 116.56 1wx6 s GLU 43 Ca 0.27 -0.18 -0.28 0.00 0.02 0.00 0.00 54.97 54.79 1wx6 s GLU 43 Cb -0.02 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.49 1wx6 s GLU 43 CO 0.18 0.03 1.38 0.08 0.02 0.00 0.00 175.26 176.95 1wx6 s VAL 44 N 0.44 3.86 0.05 2.63 1.01 0.32 -3.12 120.40 125.58 1wx6 s VAL 44 Ca -0.06 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1wx6 s VAL 44 Cb -0.10 -4.42 -0.22 0.00 0.00 0.00 0.00 36.38 31.64 1wx6 s VAL 44 CO 0.00 -1.08 1.02 0.16 0.00 0.00 0.00 175.10 175.21 1wx6 h ILE 45 N 6.37 1.36 -2.03 2.22 3.07 -1.32 0.16 117.51 127.34 1wx6 h ILE 45 Ca -0.27 -3.11 0.04 0.00 1.55 0.00 0.00 64.86 63.08 1wx6 h ILE 45 Cb 1.09 2.69 -0.19 0.00 -0.27 0.00 0.00 36.82 40.15 1wx6 h ILE 45 CO 1.15 0.79 0.41 -0.70 -1.05 0.00 0.00 178.15 178.75 1wx6 s GLU 46 N -2.66 0.85 -0.15 0.16 2.56 -1.13 -4.54 118.70 113.79 1wx6 s GLU 46 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.97 54.94 1wx6 s GLU 46 Cb 0.09 0.40 0.02 0.00 2.00 0.00 0.00 34.13 36.64 1wx6 s GLU 46 CO 0.83 -0.31 -0.16 0.15 -0.56 0.00 0.00 175.26 175.21 1wx6 s LYS 47 N -1.99 2.42 -0.33 4.30 1.02 -1.26 -0.97 119.74 122.92 1wx6 s LYS 47 Ca -0.02 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 1wx6 s LYS 47 Cb -0.01 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1wx6 s LYS 47 CO -0.01 -0.19 1.69 -1.25 -0.92 0.00 0.00 175.35 174.67 1wx6 s PRO 48 N 1.35 3.45 0.10 -1.68 0.04 -1.26 -4.90 135.00 132.10 1wx6 s PRO 48 Ca 0.03 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 1wx6 s PRO 48 Cb -0.13 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.16 1wx6 s PRO 48 CO -0.09 -1.71 1.70 0.93 0.04 0.00 0.00 177.00 177.87 1wx6 h GLU 49 N 12.11 -0.17 -0.78 4.56 5.08 -1.98 -2.60 114.58 130.80 1wx6 h GLU 49 Ca -0.32 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.23 1wx6 h GLU 49 Cb 1.15 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1wx6 h GLU 49 CO 1.04 -0.11 0.11 -0.91 -1.00 0.00 0.00 179.01 178.14 1wx6 h ASN 50 N -0.17 -0.15 -4.01 1.42 2.35 -2.00 -3.21 115.58 109.80 1wx6 h ASN 50 Ca 0.02 0.18 -0.63 0.00 -0.55 0.00 0.00 56.30 55.32 1wx6 h ASN 50 Cb 0.19 0.28 -0.41 0.00 0.05 0.00 0.00 38.32 38.43 1wx6 h ASN 50 CO -0.06 -0.13 -0.63 -0.62 -1.65 0.00 0.00 177.43 174.34 1wx6 s ASP 51 N -5.18 4.33 0.29 5.81 -1.08 -0.99 -4.93 116.67 114.92 1wx6 s ASP 51 Ca -0.13 -3.16 0.25 0.00 -0.52 0.00 0.00 52.55 48.99 1wx6 s ASP 51 Cb 0.23 -1.57 1.03 0.00 -1.46 0.00 0.00 42.92 41.15 1wx6 s ASP 51 CO 0.76 -0.20 1.74 1.55 0.52 0.00 0.00 175.17 179.54 1wx6 h PRO 52 N 6.27 0.00 0.00 4.34 0.13 -1.53 -2.60 132.00 138.62 1wx6 h PRO 52 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1wx6 h PRO 52 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1wx6 h PRO 52 CO 0.67 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 1wx6 n GLU 53 N -2.34 0.48 -4.22 0.86 1.02 -1.26 -4.73 120.64 110.44 1wx6 n GLU 53 Ca 0.02 0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 57.02 1wx6 n GLU 53 Cb 0.23 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.37 1.21 0.06 -0.32 0.52 -0.98 -3.61 118.94 113.45 1wx6 s TRP 54 Ca 0.27 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 56.02 1wx6 s TRP 54 Cb 0.16 -0.69 -0.03 0.00 -1.15 0.00 0.00 33.47 31.76 1wx6 s TRP 54 CO 0.32 0.05 -0.17 -1.58 0.02 0.00 0.00 176.95 175.59 1wx6 s TRP 55 N -1.14 1.51 -0.36 -1.98 0.51 0.58 -4.21 118.94 113.84 1wx6 s TRP 55 Ca -0.01 -0.38 -0.16 0.00 -2.12 0.00 0.00 56.10 53.42 1wx6 s TRP 55 Cb -0.09 -0.88 -0.00 0.00 -0.81 0.00 0.00 33.47 31.69 1wx6 s TRP 55 CO 0.02 0.09 0.41 0.21 -0.51 0.00 0.00 176.95 177.17 1wx6 s LYS 56 N -1.36 3.47 0.31 4.98 2.20 -0.14 -0.25 119.74 128.94 1wx6 s LYS 56 Ca 0.04 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.23 1wx6 s LYS 56 Cb -0.09 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1wx6 s LYS 56 CO 0.02 -0.63 0.09 0.00 -0.36 0.00 0.00 175.35 174.48 1wx6 s LYS 58 N -3.92 2.12 0.84 0.00 2.20 -1.18 -2.54 119.74 117.26 1wx6 s LYS 58 Ca 0.35 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1wx6 s LYS 58 Cb 0.07 -1.88 0.13 0.00 -1.51 0.00 0.00 37.83 34.64 1wx6 s LYS 58 CO 0.15 -0.14 1.18 0.54 -0.36 0.00 0.00 175.35 176.72 1wx6 s ASN 59 N 1.21 3.99 0.53 1.43 6.03 -0.88 -4.14 114.94 123.10 1wx6 s ASN 59 Ca -0.02 0.37 0.28 0.00 -1.03 0.00 0.00 52.86 52.45 1wx6 s ASN 59 Cb -0.14 -0.70 1.51 0.00 -3.03 0.00 0.00 41.25 38.90 1wx6 s ASN 59 CO -0.05 -2.17 1.83 0.00 -2.03 0.00 0.00 177.10 174.68 1wx6 h ALA 60 N -1.13 1.18 0.00 3.54 0.00 -1.91 0.25 119.26 121.18 1wx6 h ALA 60 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wx6 h ALA 60 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wx6 h ALA 60 CO 0.50 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 180.12 1wx6 n ARG 61 N -2.63 0.99 -1.55 0.00 5.12 -1.26 -4.84 116.66 112.49 1wx6 n ARG 61 Ca -0.02 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.71 1wx6 n ARG 61 Cb 0.24 -1.09 -0.08 0.00 -1.16 0.00 0.00 32.46 30.37 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 0.58 1.81 3.67 -0.13 0.00 0.87 -4.96 105.19 107.04 1wx6 n GLY 62 Ca 0.04 0.00 -0.34 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 -3.61 2.90 0.06 1.61 -1.52 -1.25 -4.92 119.66 112.93 1wx6 s GLN 63 Ca 0.00 -0.48 0.04 0.00 -1.95 0.00 0.00 55.36 52.97 1wx6 s GLN 63 Cb 0.00 -2.73 -0.04 0.00 -0.22 0.00 0.00 33.01 30.02 1wx6 s GLN 63 CO 0.00 0.68 0.01 0.14 -0.25 0.00 0.00 175.29 175.87 1wx6 s VAL 64 N -0.93 4.15 0.18 1.09 -7.23 -1.26 -2.08 120.40 114.31 1wx6 s VAL 64 Ca 0.15 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 1wx6 s VAL 64 Cb -0.11 -2.95 0.08 0.00 0.56 0.00 0.00 36.38 33.96 1wx6 s VAL 64 CO 0.04 0.19 1.04 -0.83 -0.31 0.00 0.00 175.10 175.24 1wx6 s GLY 65 N -2.12 0.09 -0.39 2.32 0.00 -1.05 -4.88 107.32 101.28 1wx6 s GLY 65 Ca 0.25 -0.29 -0.25 0.00 0.00 0.00 0.00 44.72 44.42 1wx6 s GLY 65 CO 0.17 2.40 0.91 1.08 0.00 0.00 0.00 173.10 177.65 1wx6 s LEU 66 N -3.39 4.01 -0.06 0.66 1.43 0.90 -3.02 118.68 119.20 1wx6 s LEU 66 Ca 0.22 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1wx6 s LEU 66 Cb -0.02 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 1wx6 s LEU 66 CO 0.05 -0.89 -0.15 0.54 0.23 0.00 0.00 176.35 176.13 1wx6 s VAL 67 N 3.50 2.99 0.04 -1.59 0.11 0.65 -3.03 120.40 123.08 1wx6 s VAL 67 Ca 0.37 -0.74 -0.31 0.00 -2.93 0.00 0.00 61.98 58.37 1wx6 s VAL 67 Cb -0.12 -2.17 -0.06 0.00 -1.53 0.00 0.00 36.38 32.49 1wx6 s VAL 67 CO 0.20 0.58 1.42 -2.16 -3.33 0.00 0.00 175.10 171.81 1wx6 s PRO 68 N -0.59 4.29 0.05 1.54 0.04 -1.26 -0.31 135.00 138.76 1wx6 s PRO 68 Ca 0.08 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1wx6 s PRO 68 Cb -0.11 -3.48 -0.15 0.00 0.04 0.00 0.00 34.50 30.81 1wx6 s PRO 68 CO 0.01 -0.54 1.31 1.57 0.04 0.00 0.00 177.00 179.39 1wx6 h LYS 69 N 7.56 0.51 0.00 4.56 2.10 -1.90 -2.93 116.57 126.47 1wx6 h LYS 69 Ca -0.40 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 57.92 1wx6 h LYS 69 Cb 1.19 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1wx6 h LYS 69 CO 0.89 0.94 0.38 -2.95 -2.00 0.00 0.00 179.45 176.71 1wx6 h ASN 70 N 0.15 0.00 0.40 7.07 7.08 -1.92 0.59 115.58 128.94 1wx6 h ASN 70 Ca 0.00 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 52.98 1wx6 h ASN 70 Cb 0.93 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.13 1wx6 h ASN 70 CO 0.07 0.00 -1.81 -1.22 -2.08 0.00 0.00 177.43 172.40 1wx6 n TYR 71 N -2.68 0.65 -3.49 4.14 4.02 -1.12 -4.97 117.16 113.71 1wx6 n TYR 71 Ca -0.02 0.22 -0.17 0.00 -0.01 0.00 0.00 57.90 57.93 1wx6 n TYR 71 Cb 0.41 -1.05 0.02 0.00 -0.02 0.00 0.00 39.34 38.71 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 -2.85 0.00 -3.66 -0.72 0.24 0.21 -2.25 118.33 109.30 1wx6 n VAL 72 Ca -0.17 -1.51 -0.13 0.00 -2.04 0.00 0.00 64.34 60.48 1wx6 n VAL 72 Cb 0.96 -0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.83 -0.00 -0.13 3.34 -7.23 -0.71 -4.88 120.40 108.97 1wx6 s VAL 73 Ca 0.31 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1wx6 s VAL 73 Cb -0.02 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1wx6 s VAL 73 CO 0.20 0.00 1.13 -0.69 -0.31 0.00 0.00 175.10 175.42 1wx6 s VAL 74 N 0.41 4.50 -0.20 1.32 1.01 -1.26 -0.71 120.40 125.47 1wx6 s VAL 74 Ca -0.01 1.80 -0.18 0.00 0.00 0.00 0.00 61.98 63.59 1wx6 s VAL 74 Cb -0.04 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1wx6 s VAL 74 CO -0.00 -0.06 0.05 0.18 0.00 0.00 0.00 175.10 175.26 1wx6 n LEU 75 N 5.64 1.86 -4.18 3.92 4.77 0.17 -4.98 117.00 124.21 1wx6 n LEU 75 Ca 0.11 0.46 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1wx6 n LEU 75 Cb 0.47 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1wx6 n LEU 75 CO 0.54 0.11 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.76 1wx6 s SER 76 N -6.62 1.30 -1.08 -1.43 0.15 -1.23 -5.05 113.70 99.73 1wx6 s SER 76 Ca -0.26 -0.93 -0.15 0.00 0.70 0.00 0.00 55.95 55.30 1wx6 s SER 76 Cb 0.06 0.05 0.17 0.00 -1.71 0.00 0.00 66.02 64.60 1wx6 s SER 76 CO 0.49 -0.38 1.26 -1.81 1.20 0.00 0.00 173.24 173.99 1wx6 s ASP 77 N -2.84 6.95 0.00 5.45 1.11 -1.26 -2.65 116.67 123.43 1wx6 s ASP 77 Ca 0.10 -2.76 0.00 0.00 0.18 0.00 0.00 52.55 50.07 1wx6 s ASP 77 Cb 0.02 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1wx6 s ASP 77 CO -0.02 -0.78 0.00 0.61 1.18 0.00 0.00 175.17 176.16 1wx6 n GLY 78 N 4.35 2.30 3.56 0.21 0.00 -1.12 -4.96 105.19 109.54 1wx6 n GLY 78 Ca 0.30 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.00 2.76 -0.71 1.61 0.04 -1.26 -4.32 135.00 131.11 1wx6 s PRO 79 Ca 0.00 0.73 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 1wx6 s PRO 79 Cb 0.00 -4.35 -0.14 0.00 0.04 0.00 0.00 34.50 30.05 1wx6 s PRO 79 CO 0.00 -2.57 2.43 0.00 0.04 0.00 0.00 177.00 176.90 1wx6 n ALA 80 N 12.27 0.61 -2.70 8.56 0.00 -1.26 -4.90 120.51 133.09 1wx6 n ALA 80 Ca 0.21 -0.97 -0.37 0.00 0.00 0.00 0.00 53.44 52.31 1wx6 n ALA 80 Cb 0.51 -3.01 -0.08 0.00 0.00 0.00 0.00 19.45 16.87 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 11.29 4.19 0.45 0.00 0.20 -1.26 -5.06 118.68 128.48 1wx6 s LEU 81 Ca 1.06 0.37 -0.24 0.00 0.69 0.00 0.00 54.13 56.00 1wx6 s LEU 81 Cb -0.40 -2.29 -0.07 0.00 -0.43 0.00 0.00 46.19 42.99 1wx6 s LEU 81 CO 0.27 0.06 1.31 -1.00 -0.29 0.00 0.00 176.35 176.71 1wx6 s HIS 82 N 0.79 2.65 0.22 5.38 3.76 -1.26 -4.96 115.29 121.86 1wx6 s HIS 82 Ca 0.13 1.40 -0.30 0.00 -0.15 0.00 0.00 55.06 56.14 1wx6 s HIS 82 Cb -0.13 -3.69 -0.09 0.00 1.11 0.00 0.00 32.58 29.78 1wx6 s HIS 82 CO 0.04 -2.32 1.29 -1.25 -0.85 0.00 0.00 174.74 171.65 1wx6 s PRO 83 N -2.51 4.40 -0.15 8.40 0.04 -1.26 -4.96 135.00 138.97 1wx6 s PRO 83 Ca 0.62 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.62 1wx6 s PRO 83 Cb -0.38 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 30.91 1wx6 s PRO 83 CO 0.47 -0.21 -0.22 0.00 0.04 0.00 0.00 177.00 177.08 1wx6 n ALA 84 N 2.34 1.84 -4.17 8.56 0.00 -1.26 -5.10 120.51 122.72 1wx6 n ALA 84 Ca 0.05 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 1wx6 n ALA 84 Cb 0.43 0.24 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 1wx6 n ALA 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1wx6 n HIS 85 N -3.85 -0.59 -1.80 0.00 1.44 -1.26 -5.09 115.22 104.07 1wx6 n HIS 85 Ca -0.29 -2.51 -0.41 0.00 -2.01 0.00 0.00 57.72 52.50 1wx6 n HIS 85 Cb 0.65 0.22 -0.03 0.00 0.12 0.00 0.00 29.99 30.96 1wx6 n HIS 85 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1wx6 s SER 86 N -3.13 5.41 0.00 4.39 0.01 -1.26 -4.27 113.70 114.86 1wx6 s SER 86 Ca 0.33 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1wx6 s SER 86 Cb 0.02 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1wx6 s SER 86 CO 0.24 -2.09 0.00 0.61 0.41 0.00 0.00 173.24 172.41 1wx6 n GLY 87 N 5.67 -2.54 3.61 3.44 0.00 -1.26 -5.16 105.19 108.96 1wx6 n GLY 87 Ca 0.27 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.83 0.52 1.61 0.04 -1.26 -5.00 135.00 130.08 1wx6 s PRO 88 Ca 0.00 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 60.91 1wx6 s PRO 88 Cb 0.00 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 32.85 1wx6 s PRO 88 CO 0.00 -3.48 1.13 -1.54 0.04 0.00 0.00 177.00 173.15 1wx6 s SER 89 N -3.78 5.89 -0.17 6.66 1.04 -1.26 -4.98 113.70 117.10 1wx6 s SER 89 Ca 0.70 2.17 -0.13 0.00 0.48 0.00 0.00 55.95 59.17 1wx6 s SER 89 Cb -0.12 -2.58 -0.22 0.00 0.10 0.00 0.00 66.02 63.19 1wx6 s SER 89 CO 0.56 -1.10 0.25 -0.24 0.98 0.00 0.00 173.24 173.69 1wx6 n SER 90 N -1.09 2.00 0.00 7.02 2.88 -1.26 -4.60 113.62 118.57 1wx6 n SER 90 Ca 0.10 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1wx6 n SER 90 Cb 0.51 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1wx6 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42