#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 s SER 2 N 0.00 -0.32 -0.29 1.61 0.01 -1.26 -4.97 113.70 108.48 2dn4 s SER 2 Ca 0.00 0.61 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 2dn4 s SER 2 Cb 0.00 0.64 0.10 0.00 0.21 0.00 0.00 66.02 66.96 2dn4 s SER 2 CO 0.00 -0.11 0.12 -0.55 0.41 0.00 0.00 173.24 173.11 2dn4 s SER 3 N 0.19 3.62 0.58 2.44 0.15 -1.26 -5.03 113.70 114.40 2dn4 s SER 3 Ca 0.04 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.34 2dn4 s SER 3 Cb -0.05 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2dn4 s SER 3 CO -0.09 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2dn4 n GLY 4 N 5.15 0.83 0.05 9.45 0.00 -1.26 -4.54 105.19 114.87 2dn4 n GLY 4 Ca -0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 2dn4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn4 n SER 5 N -3.42 1.24 -4.66 1.61 7.64 -1.26 -4.89 113.62 109.88 2dn4 n SER 5 Ca 0.00 0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.78 2dn4 n SER 5 Cb 0.00 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 2dn4 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dn4 s SER 6 N -5.14 6.65 -0.30 6.43 0.01 -1.26 -4.92 113.70 115.18 2dn4 s SER 6 Ca -0.15 2.22 -0.08 0.00 1.31 0.00 0.00 55.95 59.25 2dn4 s SER 6 Cb 0.02 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 63.90 2dn4 s SER 6 CO 0.23 -0.94 0.87 -0.83 0.41 0.00 0.00 173.24 172.98 2dn4 s GLY 7 N 3.40 -0.61 0.10 3.44 0.00 -1.26 -5.02 107.32 107.36 2dn4 s GLY 7 Ca 0.74 2.39 -0.21 0.00 0.00 0.00 0.00 44.72 47.64 2dn4 s GLY 7 CO 0.30 3.64 1.36 1.41 0.00 0.00 0.00 173.10 179.81 2dn4 h LEU 8 N 7.99 -1.35 -0.82 0.66 3.38 -1.96 0.65 115.31 123.86 2dn4 h LEU 8 Ca -0.17 0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.13 2dn4 h LEU 8 Cb 1.17 0.58 -0.14 0.00 0.09 0.00 0.00 40.66 42.35 2dn4 h LEU 8 CO 0.05 -0.21 -0.35 -0.09 0.09 0.00 0.00 178.44 177.93 2dn4 h ARG 9 N -0.12 -0.06 -0.71 1.13 2.43 -1.96 0.89 114.38 115.97 2dn4 h ARG 9 Ca 0.08 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2dn4 h ARG 9 Cb 0.33 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 2dn4 h ARG 9 CO -0.52 -0.04 0.38 -0.22 -1.51 0.00 0.00 179.97 178.06 2dn4 h LYS 10 N -0.07 0.66 0.02 0.20 3.64 -1.15 1.51 116.57 121.38 2dn4 h LYS 10 Ca 0.31 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2dn4 h LYS 10 Cb 0.58 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2dn4 h LYS 10 CO -0.85 0.44 -0.13 1.96 -2.27 0.00 0.00 179.45 178.59 2dn4 h GLN 11 N 0.68 -0.22 -0.46 1.90 4.20 0.62 0.28 115.11 122.12 2dn4 h GLN 11 Ca 0.33 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 2dn4 h GLN 11 Cb 0.27 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2dn4 h GLN 11 CO -0.22 -0.14 -0.07 0.28 -0.67 0.00 0.00 178.83 178.00 2dn4 h VAL 12 N -0.22 1.27 -0.05 -0.54 2.07 0.30 0.11 116.25 119.18 2dn4 h VAL 12 Ca 0.04 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.42 2dn4 h VAL 12 Cb 0.27 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2dn4 h VAL 12 CO -0.11 0.40 -0.27 -0.33 0.02 0.00 0.00 177.57 177.28 2dn4 h GLU 13 N 0.70 -0.37 -0.38 1.57 5.08 0.26 1.48 114.58 122.92 2dn4 h GLU 13 Ca 0.12 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2dn4 h GLU 13 Cb 0.60 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2dn4 h GLU 13 CO 0.04 -0.24 -0.15 0.93 -1.00 0.00 0.00 179.01 178.58 2dn4 h GLU 14 N -0.38 0.69 0.69 2.33 4.39 -0.40 -2.84 114.58 119.07 2dn4 h GLU 14 Ca 0.08 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 2dn4 h GLU 14 Cb 0.49 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2dn4 h GLU 14 CO -0.27 0.81 -0.33 1.25 -1.16 0.00 0.00 179.01 179.31 2dn4 h LEU 15 N 0.63 -0.79 -0.95 1.33 5.85 0.19 -0.24 115.31 121.33 2dn4 h LEU 15 Ca 0.10 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.97 2dn4 h LEU 15 Cb 0.61 0.20 -0.16 0.00 0.37 0.00 0.00 40.66 41.69 2dn4 h LEU 15 CO 0.04 -0.44 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.06 2dn4 h PHE 16 N -1.13 -1.04 0.02 1.25 -1.00 0.21 0.28 116.94 115.52 2dn4 h PHE 16 Ca -0.09 0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 2dn4 h PHE 16 Cb 0.74 0.60 0.00 0.00 3.61 0.00 0.00 35.95 40.90 2dn4 h PHE 16 CO -0.00 -0.40 -0.01 0.93 -1.61 0.00 0.00 178.31 177.21 2dn4 h GLU 17 N -0.02 -0.03 -0.48 1.51 5.08 -1.47 -2.25 114.58 116.92 2dn4 h GLU 17 Ca 0.34 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 2dn4 h GLU 17 Cb 0.60 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2dn4 h GLU 17 CO -0.96 0.01 -0.41 0.00 -1.00 0.00 0.00 179.01 176.65 2dn4 h ARG 18 N -0.06 -0.15 -0.41 2.33 2.47 0.13 1.60 114.38 120.28 2dn4 h ARG 18 Ca -0.00 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.81 2dn4 h ARG 18 Cb 0.06 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.32 2dn4 h ARG 18 CO 0.01 -0.10 -0.33 0.87 0.56 0.00 0.00 179.97 180.97 2dn4 h LYS 19 N -0.16 -0.24 -0.57 0.04 1.79 -1.03 0.69 116.57 117.09 2dn4 h LYS 19 Ca 0.08 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.64 2dn4 h LYS 19 Cb 0.37 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 2dn4 h LYS 19 CO -0.54 -0.16 0.23 -0.92 -1.08 0.00 0.00 179.45 176.99 2dn4 h TYR 20 N -0.25 0.42 -0.84 -1.35 3.20 -0.38 -0.05 116.97 117.72 2dn4 h TYR 20 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2dn4 h TYR 20 Cb 0.54 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2dn4 h TYR 20 CO -0.55 0.14 0.50 0.00 -1.64 0.00 0.00 178.16 176.61 2dn4 h ALA 21 N 1.37 1.31 -0.44 1.82 0.00 0.44 -2.14 119.26 121.61 2dn4 h ALA 21 Ca 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dn4 h ALA 21 Cb 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dn4 h ALA 21 CO -0.26 0.59 0.27 1.96 0.00 0.00 0.00 179.25 181.82 2dn4 h GLN 22 N 1.15 0.60 -0.06 0.00 4.20 0.20 1.72 115.11 122.92 2dn4 h GLN 22 Ca 0.30 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.98 2dn4 h GLN 22 Cb -0.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2dn4 h GLN 22 CO -0.06 0.44 0.13 0.00 -0.67 0.00 0.00 178.83 178.67 2dn4 h ALA 23 N 1.13 1.42 -0.01 3.87 0.00 -0.46 0.35 119.26 125.55 2dn4 h ALA 23 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dn4 h ALA 23 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dn4 h ALA 23 CO -0.03 -0.16 0.00 0.44 0.00 0.00 0.00 179.25 179.50 2dn4 n ILE 24 N -3.41 1.74 -4.09 0.00 -5.35 -0.15 -4.99 119.36 103.11 2dn4 n ILE 24 Ca -0.01 -2.03 -0.45 0.00 -0.27 0.00 0.00 62.75 59.98 2dn4 n ILE 24 Cb 0.22 -0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.02 2dn4 n ILE 24 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2dn4 n LYS 25 N -1.24 -0.25 -3.91 6.28 5.02 0.44 -4.90 118.16 119.61 2dn4 n LYS 25 Ca 0.13 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 56.09 2dn4 n LYS 25 Cb 0.58 -2.33 -0.12 0.00 -0.02 0.00 0.00 35.03 33.14 2dn4 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dn4 s ALA 26 N -3.62 3.12 -0.35 7.82 0.00 0.48 -4.95 121.76 124.26 2dn4 s ALA 26 Ca 0.46 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2dn4 s ALA 26 Cb -0.26 -1.93 0.49 0.00 0.00 0.00 0.00 23.12 21.42 2dn4 s ALA 26 CO 0.94 -0.29 1.59 0.36 0.00 0.00 0.00 175.76 178.35 2dn4 n LYS 27 N 4.53 2.25 -4.16 0.00 2.85 -1.26 -4.52 118.16 117.85 2dn4 n LYS 27 Ca -0.17 -2.12 -0.12 0.00 -1.05 0.00 0.00 58.31 54.86 2dn4 n LYS 27 Cb 0.52 -1.87 -0.09 0.00 -0.65 0.00 0.00 35.03 32.94 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dn4 s GLY 28 N -0.59 1.30 -0.23 2.58 0.00 -1.26 -5.12 107.32 104.00 2dn4 s GLY 28 Ca 0.39 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 2dn4 s GLY 28 CO 0.08 -1.25 1.32 2.56 0.00 0.00 0.00 173.10 175.82 2dn4 s PRO 29 N -4.08 4.04 0.36 2.90 0.04 -1.26 -4.91 135.00 132.08 2dn4 s PRO 29 Ca 0.36 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.94 2dn4 s PRO 29 Cb 0.05 -3.85 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2dn4 s PRO 29 CO 0.12 -0.96 0.24 0.14 0.04 0.00 0.00 177.00 176.58 2dn4 s VAL 30 N 4.08 3.07 -0.03 -0.36 -7.23 -1.26 -5.02 120.40 113.65 2dn4 s VAL 30 Ca 0.57 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2dn4 s VAL 30 Cb -0.20 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 2dn4 s VAL 30 CO 0.20 -0.13 0.09 -0.89 -0.31 0.00 0.00 175.10 174.06 2dn4 s THR 31 N -2.41 4.87 -0.35 5.32 2.01 -1.26 -4.84 115.64 118.97 2dn4 s THR 31 Ca 0.41 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2dn4 s THR 31 Cb -0.03 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.29 2dn4 s THR 31 CO 0.25 0.41 0.19 -0.63 -0.69 0.00 0.00 174.62 174.15 2dn4 s ILE 32 N -1.15 4.60 -0.24 1.82 1.01 -1.26 -5.05 121.20 120.92 2dn4 s ILE 32 Ca 0.21 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 2dn4 s ILE 32 Cb -0.12 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2dn4 s ILE 32 CO 0.12 -0.13 1.32 -2.16 0.00 0.00 0.00 174.94 174.09 2dn4 s PRO 33 N 1.58 4.02 0.14 2.79 0.04 -1.26 -4.90 135.00 137.41 2dn4 s PRO 33 Ca 0.03 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 2dn4 s PRO 33 Cb -0.18 -3.85 -0.08 0.00 0.04 0.00 0.00 34.50 30.42 2dn4 s PRO 33 CO 0.07 -0.99 1.32 1.88 0.04 0.00 0.00 177.00 179.32 2dn4 h TYR 34 N 9.04 0.41 0.02 0.56 0.05 -1.98 -3.10 116.97 121.97 2dn4 h TYR 34 Ca -0.27 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.27 2dn4 h TYR 34 Cb 1.11 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2dn4 h TYR 34 CO 0.86 1.07 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.03 2dn4 h PRO 35 N 0.14 -0.03 -0.85 4.88 0.13 -1.97 -0.71 132.00 133.60 2dn4 h PRO 35 Ca -0.07 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.30 2dn4 h PRO 35 Cb 1.60 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.58 2dn4 h PRO 35 CO 0.15 -0.02 0.01 1.28 -0.23 0.00 0.00 178.00 179.20 2dn4 n LEU 36 N -2.23 -0.10 -0.08 1.56 4.77 -1.26 0.20 117.00 119.86 2dn4 n LEU 36 Ca -0.00 1.44 -0.12 0.00 -0.03 0.00 0.00 56.01 57.30 2dn4 n LEU 36 Cb 0.01 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 2dn4 n LEU 36 CO 0.01 -1.46 0.73 -0.26 -1.33 0.00 0.00 177.39 175.08 2dn4 h PHE 37 N 0.00 0.48 -0.15 -1.77 -1.00 -1.65 0.55 116.94 113.39 2dn4 h PHE 37 Ca 0.51 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 61.15 2dn4 h PHE 37 Cb 1.05 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.48 2dn4 h PHE 37 CO -0.43 0.64 -0.10 0.37 -1.61 0.00 0.00 178.31 177.17 2dn4 h GLN 38 N 0.17 0.24 -0.03 1.51 4.15 0.40 -0.88 115.11 120.67 2dn4 h GLN 38 Ca 0.06 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.22 2dn4 h GLN 38 Cb 0.47 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2dn4 h GLN 38 CO 0.02 0.35 -0.88 1.03 -1.93 0.00 0.00 178.83 177.42 2dn4 h SER 39 N 0.23 0.53 -2.27 -0.69 0.87 0.22 -3.33 113.55 109.11 2dn4 h SER 39 Ca 0.05 -0.40 -0.61 0.00 -1.23 0.00 0.00 61.79 59.60 2dn4 h SER 39 Cb 0.33 -0.16 -0.41 0.00 -0.44 0.00 0.00 62.40 61.72 2dn4 h SER 39 CO 0.02 1.19 -0.51 1.41 -0.53 0.00 0.00 176.83 178.41 2dn4 n HIS 40 N -3.77 3.82 0.75 2.24 8.25 0.16 -4.79 115.22 121.88 2dn4 n HIS 40 Ca -0.06 -3.95 0.10 0.00 -0.26 0.00 0.00 57.72 53.55 2dn4 n HIS 40 Cb 0.80 -0.57 0.46 0.00 1.12 0.00 0.00 29.99 31.80 2dn4 n HIS 40 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dn4 n VAL 41 N 0.17 0.54 0.68 1.59 0.24 -0.40 0.13 118.33 121.28 2dn4 n VAL 41 Ca 0.31 0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.86 2dn4 n VAL 41 Cb 0.39 -0.78 0.12 0.00 -1.47 0.00 0.00 33.84 32.11 2dn4 n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dn4 n GLU 42 N -1.48 0.21 0.04 7.34 1.02 -1.26 -4.56 120.64 121.96 2dn4 n GLU 42 Ca 0.06 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2dn4 n GLU 42 Cb 0.24 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2dn4 n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dn4 n ASP 43 N -1.89 0.94 -4.58 1.62 9.92 -0.82 -4.99 116.55 116.74 2dn4 n ASP 43 Ca 0.03 0.12 -0.40 0.00 -0.53 0.00 0.00 54.79 54.01 2dn4 n ASP 43 Cb 0.41 -0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 40.52 2dn4 n ASP 43 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dn4 s LEU 44 N -6.84 4.23 -0.04 0.64 1.43 0.34 -2.31 118.68 116.13 2dn4 s LEU 44 Ca -0.00 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 2dn4 s LEU 44 Cb 0.00 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.87 2dn4 s LEU 44 CO 0.00 -0.30 0.78 -0.72 0.23 0.00 0.00 176.35 176.34 2dn4 s TYR 45 N 2.13 -0.52 0.14 0.29 -0.85 -1.12 -3.87 117.35 113.55 2dn4 s TYR 45 Ca 0.15 0.77 -0.08 0.00 -0.52 0.00 0.00 57.07 57.39 2dn4 s TYR 45 Cb -0.16 0.46 -0.06 0.00 0.38 0.00 0.00 41.96 42.58 2dn4 s TYR 45 CO 0.11 -0.56 0.43 0.08 -1.52 0.00 0.00 175.55 174.09 2dn4 s VAL 46 N -1.77 5.08 0.37 -3.49 1.01 -1.26 -1.76 120.40 118.58 2dn4 s VAL 46 Ca -0.05 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.27 2dn4 s VAL 46 Cb -0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2dn4 s VAL 46 CO 0.02 0.10 0.19 -1.61 0.00 0.00 0.00 175.10 173.80 2dn4 s GLU 47 N -2.43 1.82 0.00 2.72 2.02 0.51 -4.81 118.70 118.53 2dn4 s GLU 47 Ca 0.40 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.30 2dn4 s GLU 47 Cb -0.13 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2dn4 s GLU 47 CO 0.22 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.36 2dn4 n GLY 48 N -0.76 0.74 3.77 -1.39 0.00 -1.25 0.11 105.19 106.41 2dn4 n GLY 48 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dn4 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dn4 s LEU 49 N 0.00 3.57 0.00 0.99 1.43 -1.26 -2.76 118.68 120.65 2dn4 s LEU 49 Ca 0.00 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.09 2dn4 s LEU 49 Cb 0.00 -4.57 0.20 0.00 0.03 0.00 0.00 46.19 41.85 2dn4 s LEU 49 CO 0.00 -1.48 0.94 -0.81 0.23 0.00 0.00 176.35 175.23 2dn4 n PRO 50 N -1.86 -1.81 -2.91 1.29 -0.04 -1.26 -5.00 135.00 123.40 2dn4 n PRO 50 Ca 0.11 -1.47 -0.40 0.00 -0.04 0.00 0.00 63.50 61.71 2dn4 n PRO 50 Cb 0.51 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 2dn4 n PRO 50 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2dn4 s GLU 51 N -5.08 4.65 -0.89 0.54 2.12 -1.26 -3.60 118.70 115.19 2dn4 s GLU 51 Ca 0.56 1.25 0.00 0.00 0.36 0.00 0.00 54.97 57.15 2dn4 s GLU 51 Cb -0.03 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2dn4 s GLU 51 CO 0.41 0.55 0.00 0.41 -0.54 0.00 0.00 175.26 176.09 2dn4 n GLY 52 N 1.58 0.06 2.86 -1.50 0.00 -1.26 -4.99 105.19 101.94 2dn4 n GLY 52 Ca -0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 2dn4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dn4 s ILE 53 N -2.50 -0.53 0.00 -0.61 1.01 -1.24 -5.09 121.20 112.24 2dn4 s ILE 53 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2dn4 s ILE 53 Cb 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2dn4 s ILE 53 CO 0.00 -0.38 0.00 -0.81 0.00 0.00 0.00 174.94 173.75 2dn4 n PRO 54 N 4.96 0.94 -3.64 2.79 -0.04 -1.26 -4.34 135.00 134.40 2dn4 n PRO 54 Ca 0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 2dn4 n PRO 54 Cb 0.48 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 2dn4 n PRO 54 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dn4 s PHE 55 N -0.04 3.60 0.15 0.54 5.36 -1.26 -5.00 117.98 121.32 2dn4 s PHE 55 Ca 0.00 -2.72 -0.00 0.00 -0.96 0.00 0.00 56.93 53.25 2dn4 s PHE 55 Cb 0.00 -3.30 -0.04 0.00 -0.34 0.00 0.00 43.02 39.34 2dn4 s PHE 55 CO 0.00 -0.83 0.05 1.03 -1.46 0.00 0.00 175.22 174.01 2dn4 s ARG 56 N -0.44 0.99 -0.20 10.12 1.81 -1.26 -5.03 118.95 124.94 2dn4 s ARG 56 Ca 0.20 -1.48 -0.38 0.00 -1.72 0.00 0.00 55.73 52.36 2dn4 s ARG 56 Cb -0.15 0.15 -0.18 0.00 -0.45 0.00 0.00 34.95 34.32 2dn4 s ARG 56 CO -0.07 -0.25 1.16 0.54 -0.68 0.00 0.00 175.30 176.00 2dn4 n ARG 57 N -0.14 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.79 2dn4 n ARG 57 Ca -0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.13 2dn4 n ARG 57 Cb 0.64 -1.33 0.58 0.00 -1.02 0.00 0.00 32.46 31.33 2dn4 n ARG 57 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2dn4 n PRO 58 N 2.31 0.75 -0.14 5.56 -0.04 -1.26 -2.57 135.00 139.61 2dn4 n PRO 58 Ca 0.22 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2dn4 n PRO 58 Cb 0.02 -1.41 0.20 0.00 -0.04 0.00 0.00 33.50 32.27 2dn4 n PRO 58 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn4 n SER 59 N -0.91 1.63 0.00 3.54 3.41 -1.26 -3.94 113.62 116.10 2dn4 n SER 59 Ca 0.15 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2dn4 n SER 59 Cb 0.07 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2dn4 n SER 59 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dn4 n THR 60 N 0.37 0.00 -1.37 6.66 -2.24 -1.06 -5.07 114.28 111.57 2dn4 n THR 60 Ca 0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 2dn4 n THR 60 Cb 0.27 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2dn4 n THR 60 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dn4 n TYR 61 N -2.53 -1.35 -1.33 4.78 4.01 -1.25 -4.91 117.16 114.58 2dn4 n TYR 61 Ca 0.00 0.62 -0.30 0.00 -0.16 0.00 0.00 57.90 58.06 2dn4 n TYR 61 Cb 0.45 -1.88 0.12 0.00 -0.31 0.00 0.00 39.34 37.72 2dn4 n TYR 61 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dn4 s GLY 62 N -0.99 1.62 0.22 2.72 0.00 -1.26 -4.71 107.32 104.93 2dn4 s GLY 62 Ca 0.61 -0.08 -0.08 0.00 0.00 0.00 0.00 44.72 45.17 2dn4 s GLY 62 CO 0.60 0.37 1.78 -2.22 0.00 0.00 0.00 173.10 173.63 2dn4 h ILE 63 N -1.35 0.86 -0.01 0.90 2.04 -1.99 0.46 117.51 118.41 2dn4 h ILE 63 Ca -0.48 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.00 2dn4 h ILE 63 Cb 1.27 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2dn4 h ILE 63 CO 0.56 0.10 -0.81 1.55 0.00 0.00 0.00 178.15 179.55 2dn4 h PRO 64 N 0.58 0.21 -0.63 2.37 0.13 -2.00 -2.60 132.00 130.06 2dn4 h PRO 64 Ca 0.33 -0.21 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 2dn4 h PRO 64 Cb 0.33 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2dn4 h PRO 64 CO -0.26 0.91 0.07 0.00 -0.23 0.00 0.00 178.00 178.50 2dn4 h ARG 65 N 0.13 1.06 0.23 0.86 3.08 -1.57 -2.78 114.38 115.39 2dn4 h ARG 65 Ca -0.04 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 2dn4 h ARG 65 Cb 1.41 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2dn4 h ARG 65 CO 0.12 1.00 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.84 2dn4 h LEU 66 N 0.97 -0.27 -0.95 3.04 3.38 -0.12 -2.86 115.31 118.51 2dn4 h LEU 66 Ca 0.19 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2dn4 h LEU 66 Cb 0.48 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 2dn4 h LEU 66 CO 0.02 0.05 -0.58 -0.33 0.09 0.00 0.00 178.44 177.68 2dn4 h GLU 67 N -0.60 -0.02 -0.49 1.13 5.08 -1.39 0.24 114.58 118.53 2dn4 h GLU 67 Ca -0.03 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2dn4 h GLU 67 Cb 0.43 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 2dn4 h GLU 67 CO 0.05 -0.02 -0.34 0.00 -1.00 0.00 0.00 179.01 177.70 2dn4 h ARG 68 N -0.02 -0.21 -1.06 2.33 3.08 -1.50 0.81 114.38 117.81 2dn4 h ARG 68 Ca 0.15 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.50 2dn4 h ARG 68 Cb 0.42 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.42 2dn4 h ARG 68 CO -0.91 -0.14 0.68 0.82 -1.07 0.00 0.00 179.97 179.35 2dn4 h ILE 69 N -0.22 0.49 -0.00 2.04 2.04 -0.38 1.52 117.51 123.00 2dn4 h ILE 69 Ca 0.20 -0.13 -0.20 0.00 1.00 0.00 0.00 64.86 65.73 2dn4 h ILE 69 Cb 0.55 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2dn4 h ILE 69 CO -0.61 0.07 -0.86 -0.07 0.00 0.00 0.00 178.15 176.68 2dn4 h LEU 70 N 0.38 0.28 -0.06 1.44 3.38 0.22 -0.42 115.31 120.53 2dn4 h LEU 70 Ca 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2dn4 h LEU 70 Cb 1.58 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2dn4 h LEU 70 CO -0.32 1.01 0.00 0.18 0.09 0.00 0.00 178.44 179.41 2dn4 n LEU 71 N -3.68 0.35 -0.34 1.67 4.77 0.44 -2.46 117.00 117.75 2dn4 n LEU 71 Ca -0.04 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 2dn4 n LEU 71 Cb 0.79 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2dn4 n LEU 71 CO 0.48 -0.14 0.25 0.00 -1.33 0.00 0.00 177.39 176.65 2dn4 n ALA 72 N -1.63 3.11 -0.30 -1.18 0.00 0.32 -4.56 120.51 116.28 2dn4 n ALA 72 Ca 0.06 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 53.01 2dn4 n ALA 72 Cb 0.35 -0.52 0.10 0.00 0.00 0.00 0.00 19.45 19.37 2dn4 n ALA 72 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2dn4 h LYS 73 N 1.65 -0.01 -1.18 0.00 2.10 -0.75 2.12 116.57 120.51 2dn4 h LYS 73 Ca 0.00 0.00 0.34 0.00 -2.00 0.00 0.00 60.65 58.99 2dn4 h LYS 73 Cb 0.51 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.76 2dn4 h LYS 73 CO 0.00 -0.01 0.80 0.93 -2.00 0.00 0.00 179.45 179.18 2dn4 h GLU 74 N -0.01 0.17 0.09 0.07 5.08 -1.80 0.11 114.58 118.28 2dn4 h GLU 74 Ca 0.40 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 58.38 2dn4 h GLU 74 Cb 0.62 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2dn4 h GLU 74 CO -0.87 0.11 -2.10 0.54 -1.00 0.00 0.00 179.01 175.69 2dn4 n ARG 75 N -4.42 0.73 -1.25 2.33 1.74 0.62 -4.96 116.66 111.45 2dn4 n ARG 75 Ca 0.28 0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 57.18 2dn4 n ARG 75 Cb 1.16 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.92 2dn4 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2dn4 n ILE 76 N -3.39 1.21 -3.58 0.55 5.41 0.42 -3.92 119.36 116.06 2dn4 n ILE 76 Ca -0.34 -0.46 -0.13 0.00 1.00 0.00 0.00 62.75 62.81 2dn4 n ILE 76 Cb 1.04 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.91 2dn4 n ILE 76 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2dn4 s ARG 77 N -0.92 0.76 -0.33 0.38 3.52 0.31 -4.79 118.95 117.89 2dn4 s ARG 77 Ca 0.57 0.43 -0.06 0.00 -0.13 0.00 0.00 55.73 56.54 2dn4 s ARG 77 Cb -0.72 0.36 0.04 0.00 -1.56 0.00 0.00 34.95 33.07 2dn4 s ARG 77 CO 0.55 -0.19 0.08 -0.06 -0.81 0.00 0.00 175.30 174.87 2dn4 s PHE 78 N -0.59 3.24 -0.39 5.12 0.40 -1.26 0.19 117.98 124.69 2dn4 s PHE 78 Ca -0.03 -1.45 -0.21 0.00 -0.60 0.00 0.00 56.93 54.64 2dn4 s PHE 78 Cb -0.02 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.28 2dn4 s PHE 78 CO 0.02 -0.73 0.68 0.08 0.70 0.00 0.00 175.22 175.98 2dn4 s VAL 79 N 1.39 4.82 -1.00 -0.44 1.01 -0.72 -4.76 120.40 120.70 2dn4 s VAL 79 Ca -0.02 0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2dn4 s VAL 79 Cb -0.19 -4.15 0.29 0.00 0.00 0.00 0.00 36.38 32.33 2dn4 s VAL 79 CO 0.02 -0.44 1.30 -0.38 0.00 0.00 0.00 175.10 175.60 2dn4 n ILE 80 N 5.74 4.69 0.13 2.22 2.08 -1.26 -2.77 119.36 130.19 2dn4 n ILE 80 Ca -0.00 -5.75 -0.16 0.00 0.56 0.00 0.00 62.75 57.40 2dn4 n ILE 80 Cb 0.48 -2.13 -0.09 0.00 -0.75 0.00 0.00 39.64 37.15 2dn4 n ILE 80 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2dn4 h LYS 81 N 5.32 -0.72 -4.99 0.38 1.79 -1.84 -3.38 116.57 113.14 2dn4 h LYS 81 Ca 0.20 0.05 -0.64 0.00 -2.18 0.00 0.00 60.65 58.08 2dn4 h LYS 81 Cb 0.65 0.16 -0.20 0.00 -1.58 0.00 0.00 32.23 31.26 2dn4 h LYS 81 CO 1.21 -0.48 -0.59 0.15 -1.08 0.00 0.00 179.45 178.66 2dn4 s LYS 82 N -5.82 3.79 -0.11 3.15 -0.14 -1.26 -4.99 119.74 114.36 2dn4 s LYS 82 Ca -0.17 -0.41 -0.05 0.00 -1.36 0.00 0.00 55.97 53.99 2dn4 s LYS 82 Cb 0.06 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.80 2dn4 s LYS 82 CO 0.62 -0.11 -0.09 0.45 -0.76 0.00 0.00 175.35 175.46 2dn4 h HIS 83 N 8.02 0.00 -1.00 3.18 3.86 -1.99 -3.36 115.15 123.85 2dn4 h HIS 83 Ca -0.37 0.00 0.37 0.00 -1.16 0.00 0.00 60.37 59.20 2dn4 h HIS 83 Cb 1.18 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.48 2dn4 h HIS 83 CO 0.68 0.00 0.54 1.05 0.86 0.00 0.00 177.93 181.06 2dn4 h GLU 84 N -0.91 0.16 -1.00 2.45 4.11 -1.97 1.28 114.58 118.70 2dn4 h GLU 84 Ca 0.00 -0.01 0.31 0.00 0.07 0.00 0.00 59.36 59.73 2dn4 h GLU 84 Cb 0.25 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.32 2dn4 h GLU 84 CO 0.00 0.11 0.57 -0.07 0.07 0.00 0.00 179.01 179.69 2dn4 h LEU 85 N 0.16 0.54 0.89 3.06 3.38 -1.99 0.13 115.31 121.47 2dn4 h LEU 85 Ca 0.78 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.90 2dn4 h LEU 85 Cb 1.93 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2dn4 h LEU 85 CO -0.69 -0.10 -0.48 -0.07 0.09 0.00 0.00 178.44 177.19 2dn4 h LEU 86 N 0.36 -1.17 -2.86 1.67 3.38 0.15 -3.48 115.31 113.36 2dn4 h LEU 86 Ca 0.72 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.74 2dn4 h LEU 86 Cb 1.60 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 2dn4 h LEU 86 CO -0.59 -0.77 -0.90 -3.20 0.09 0.00 0.00 178.44 173.07 2dn4 n ASN 87 N -5.54 -6.51 -4.24 -0.43 2.85 0.44 -5.01 115.26 96.82 2dn4 n ASN 87 Ca -0.16 0.88 -0.22 0.00 -0.11 0.00 0.00 54.58 54.98 2dn4 n ASN 87 Cb 0.51 -2.99 -0.12 0.00 1.24 0.00 0.00 39.78 38.42 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dn4 s SER 88 N -0.97 2.22 -0.45 1.20 1.04 -1.26 -5.07 113.70 110.40 2dn4 s SER 88 Ca -0.03 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 55.79 2dn4 s SER 88 Cb 0.00 -0.10 0.31 0.00 0.10 0.00 0.00 66.02 66.33 2dn4 s SER 88 CO 0.30 0.00 1.12 1.07 0.98 0.00 0.00 173.24 176.71 2dn4 n THR 89 N 1.12 0.00 -3.65 2.02 5.66 -1.26 -5.12 114.28 113.05 2dn4 n THR 89 Ca -0.20 -1.44 0.03 0.00 -3.05 0.00 0.00 64.05 59.39 2dn4 n THR 89 Cb 0.54 1.47 -0.06 0.00 -1.55 0.00 0.00 70.33 70.73 2dn4 n THR 89 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2dn4 s ARG 90 N 0.29 0.00 -0.38 1.09 6.06 -1.26 -5.12 118.95 119.63 2dn4 s ARG 90 Ca 0.23 0.01 0.01 0.00 -2.50 0.00 0.00 55.73 53.47 2dn4 s ARG 90 Cb 0.28 0.00 0.13 0.00 0.06 0.00 0.00 34.95 35.43 2dn4 s ARG 90 CO -0.08 -0.00 0.21 -2.00 -2.50 0.00 0.00 175.30 170.93 2dn4 s GLU 91 N 0.92 0.86 0.00 5.12 -6.30 -1.26 -5.03 118.70 113.01 2dn4 s GLU 91 Ca -0.07 -1.56 0.00 0.00 -2.50 0.00 0.00 54.97 50.85 2dn4 s GLU 91 Cb -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 34.13 32.32 2dn4 s GLU 91 CO -0.10 -1.16 0.00 -0.25 0.02 0.00 0.00 175.26 173.77 2dn4 n ASP 92 N 3.95 0.00 -2.82 -1.70 8.00 -1.26 -5.11 116.55 117.61 2dn4 n ASP 92 Ca 0.09 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 2dn4 n ASP 92 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.47 2dn4 n ASP 92 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dn4 s LEU 93 N 0.00 -1.45 -0.02 0.64 2.96 -1.26 -5.04 118.68 114.51 2dn4 s LEU 93 Ca 0.00 -1.63 -0.00 0.00 -0.22 0.00 0.00 54.13 52.27 2dn4 s LEU 93 Cb 0.00 1.90 0.00 0.00 0.50 0.00 0.00 46.19 48.59 2dn4 s LEU 93 CO 0.00 -0.06 0.00 -1.20 -1.32 0.00 0.00 176.35 173.77 2dn4 n SER 94 N 3.11 -6.71 -3.96 3.68 7.64 -1.26 -4.87 113.62 111.25 2dn4 n SER 94 Ca 0.17 0.52 -0.27 0.00 1.01 0.00 0.00 58.87 60.30 2dn4 n SER 94 Cb 0.56 -1.85 0.17 0.00 -1.01 0.00 0.00 64.21 62.08 2dn4 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 95 N 1.34 -2.60 3.56 0.23 0.00 -1.26 -4.80 105.19 101.67 2dn4 n GLY 95 Ca -0.00 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 2dn4 n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn4 s PRO 96 N -3.50 3.05 -0.28 1.61 0.04 -1.26 -4.97 135.00 129.69 2dn4 s PRO 96 Ca 0.49 0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 2dn4 s PRO 96 Cb -0.09 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.21 2dn4 s PRO 96 CO 0.54 -2.26 0.66 -1.12 0.04 0.00 0.00 177.00 174.85 2dn4 s SER 97 N 5.50 6.56 0.73 6.66 0.01 -1.26 -5.04 113.70 126.87 2dn4 s SER 97 Ca 0.53 0.59 -0.15 0.00 1.31 0.00 0.00 55.95 58.22 2dn4 s SER 97 Cb -0.11 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2dn4 s SER 97 CO 0.21 -0.46 1.24 -0.55 0.41 0.00 0.00 173.24 174.09 2dn4 s SER 98 N 1.56 4.08 0.00 2.44 0.15 -1.26 -4.92 113.70 115.74 2dn4 s SER 98 Ca 0.27 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.39 2dn4 s SER 98 Cb -0.15 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2dn4 s SER 98 CO 0.10 -2.35 0.27 0.61 1.20 0.00 0.00 173.24 173.08