#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 7.22 0.95 1.61 1.04 -1.26 -5.01 113.70 118.25 2dn4 s SER 2 Ca 0.00 1.93 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 2dn4 s SER 2 Cb 0.00 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.70 2dn4 s SER 2 CO 0.00 -0.34 1.11 -0.44 0.98 0.00 0.00 173.24 174.55 2dn4 s SER 3 N 0.73 2.70 0.00 7.02 0.01 -1.26 -4.97 113.70 117.92 2dn4 s SER 3 Ca 0.54 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.72 2dn4 s SER 3 Cb -0.27 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2dn4 s SER 3 CO 0.30 -3.20 0.00 0.61 0.41 0.00 0.00 173.24 171.37 2dn4 n GLY 4 N 0.04 -0.09 1.48 3.44 0.00 -1.26 -5.11 105.19 103.68 2dn4 n GLY 4 Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.29 2dn4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dn4 n SER 5 N 0.00 -8.53 -4.73 1.61 3.41 -1.26 -4.75 113.62 99.36 2dn4 n SER 5 Ca 0.00 1.21 -0.41 0.00 -0.26 0.00 0.00 58.87 59.42 2dn4 n SER 5 Cb 0.00 -4.89 -0.04 0.00 -0.26 0.00 0.00 64.21 59.02 2dn4 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dn4 s SER 6 N -7.29 7.40 -0.03 4.04 0.15 -1.26 -4.89 113.70 111.81 2dn4 s SER 6 Ca 0.00 1.67 -0.29 0.00 0.70 0.00 0.00 55.95 58.03 2dn4 s SER 6 Cb 0.00 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2dn4 s SER 6 CO 0.00 -0.07 0.80 -0.83 1.20 0.00 0.00 173.24 174.34 2dn4 s GLY 7 N 0.15 -0.47 0.17 9.45 0.00 -1.26 -5.02 107.32 110.34 2dn4 s GLY 7 Ca 0.45 1.30 -0.27 0.00 0.00 0.00 0.00 44.72 46.21 2dn4 s GLY 7 CO 0.28 0.69 1.55 1.41 0.00 0.00 0.00 173.10 177.03 2dn4 h LEU 8 N 2.47 -1.77 -0.50 0.66 3.38 -1.96 0.41 115.31 117.99 2dn4 h LEU 8 Ca -0.25 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2dn4 h LEU 8 Cb 1.20 0.80 -0.10 0.00 0.09 0.00 0.00 40.66 42.66 2dn4 h LEU 8 CO 0.35 -0.30 -0.48 -0.09 0.09 0.00 0.00 178.44 178.01 2dn4 h ARG 9 N -0.13 -0.29 -0.76 1.13 2.43 -1.97 0.39 114.38 115.18 2dn4 h ARG 9 Ca 0.19 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.52 2dn4 h ARG 9 Cb 0.52 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.05 2dn4 h ARG 9 CO -0.82 -0.19 0.33 -0.22 -1.51 0.00 0.00 179.97 177.55 2dn4 h LYS 10 N -0.30 0.48 -0.21 0.20 3.64 -1.20 1.50 116.57 120.68 2dn4 h LYS 10 Ca 0.13 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2dn4 h LYS 10 Cb 0.58 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2dn4 h LYS 10 CO -0.64 0.32 -0.02 1.96 -2.27 0.00 0.00 179.45 178.79 2dn4 h GLN 11 N 0.49 0.04 -0.23 1.90 4.20 0.35 0.22 115.11 122.07 2dn4 h GLN 11 Ca 0.41 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.05 2dn4 h GLN 11 Cb 0.59 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2dn4 h GLN 11 CO -0.38 0.02 -0.12 0.28 -0.67 0.00 0.00 178.83 177.96 2dn4 h VAL 12 N 0.04 1.30 -0.38 -0.54 2.07 0.12 0.13 116.25 119.00 2dn4 h VAL 12 Ca 0.10 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.49 2dn4 h VAL 12 Cb 0.14 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 2dn4 h VAL 12 CO -0.19 0.37 -0.20 -0.33 0.02 0.00 0.00 177.57 177.25 2dn4 h GLU 13 N 0.21 -0.13 -0.45 1.57 5.08 0.25 1.50 114.58 122.61 2dn4 h GLU 13 Ca 0.05 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2dn4 h GLU 13 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2dn4 h GLU 13 CO 0.04 -0.09 -0.27 0.93 -1.00 0.00 0.00 179.01 178.62 2dn4 h GLU 14 N -0.14 0.97 0.70 2.33 4.39 -0.54 -2.97 114.58 119.33 2dn4 h GLU 14 Ca 0.19 -0.45 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2dn4 h GLU 14 Cb 0.42 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2dn4 h GLU 14 CO -0.46 1.12 -0.34 1.25 -1.16 0.00 0.00 179.01 179.42 2dn4 h LEU 15 N 0.81 -0.79 -0.89 1.33 5.85 0.57 -0.26 115.31 121.92 2dn4 h LEU 15 Ca 0.09 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.95 2dn4 h LEU 15 Cb 0.85 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.96 2dn4 h LEU 15 CO 0.08 -0.56 -0.48 -0.26 -0.34 0.00 0.00 178.44 176.88 2dn4 h PHE 16 N -0.95 -1.45 -0.15 1.25 -1.00 0.21 0.20 116.94 115.05 2dn4 h PHE 16 Ca -0.10 0.11 0.03 0.00 2.81 0.00 0.00 57.97 60.82 2dn4 h PHE 16 Cb 0.72 0.76 -0.03 0.00 3.61 0.00 0.00 35.95 41.01 2dn4 h PHE 16 CO -0.02 -0.40 -0.03 0.93 -1.61 0.00 0.00 178.31 177.18 2dn4 h GLU 17 N -0.06 0.00 -0.51 1.51 5.08 -1.41 -2.50 114.58 116.70 2dn4 h GLU 17 Ca 0.24 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2dn4 h GLU 17 Cb 0.52 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2dn4 h GLU 17 CO -0.90 0.00 -0.38 0.00 -1.00 0.00 0.00 179.01 176.74 2dn4 h ARG 18 N 0.00 -0.09 -0.47 2.33 3.08 0.12 1.36 114.38 120.71 2dn4 h ARG 18 Ca 0.07 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.20 2dn4 h ARG 18 Cb 0.11 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.09 2dn4 h ARG 18 CO -0.15 -0.06 -0.48 0.87 -1.07 0.00 0.00 179.97 179.08 2dn4 h LYS 19 N -0.10 -0.31 -0.57 0.04 1.79 -1.03 0.98 116.57 117.38 2dn4 h LYS 19 Ca 0.08 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.67 2dn4 h LYS 19 Cb 0.31 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 30.96 2dn4 h LYS 19 CO -0.53 -0.20 0.14 -0.92 -1.08 0.00 0.00 179.45 176.85 2dn4 h TYR 20 N -0.32 0.22 -0.88 -1.35 3.20 -0.59 0.14 116.97 117.39 2dn4 h TYR 20 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2dn4 h TYR 20 Cb 0.58 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2dn4 h TYR 20 CO -0.69 0.00 0.55 0.00 -1.64 0.00 0.00 178.16 176.38 2dn4 h ALA 21 N 1.44 1.31 -0.51 1.82 0.00 0.42 -2.02 119.26 121.72 2dn4 h ALA 21 Ca 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dn4 h ALA 21 Cb 0.41 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dn4 h ALA 21 CO -0.36 0.61 0.24 1.96 0.00 0.00 0.00 179.25 181.70 2dn4 h GLN 22 N 1.21 0.74 0.00 0.00 4.20 0.32 1.83 115.11 123.41 2dn4 h GLN 22 Ca 0.32 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2dn4 h GLN 22 Cb -0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.56 2dn4 h GLN 22 CO -0.06 0.62 0.02 0.00 -0.67 0.00 0.00 178.83 178.74 2dn4 h ALA 23 N 1.08 1.02 0.00 3.87 0.00 -0.12 0.26 119.26 125.37 2dn4 h ALA 23 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dn4 h ALA 23 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dn4 h ALA 23 CO -0.02 -0.02 -0.04 0.44 0.00 0.00 0.00 179.25 179.61 2dn4 n ILE 24 N -2.77 1.22 -4.00 0.00 -5.35 -0.25 -4.98 119.36 103.24 2dn4 n ILE 24 Ca -0.02 -1.38 -0.42 0.00 -0.27 0.00 0.00 62.75 60.66 2dn4 n ILE 24 Cb 0.08 0.22 0.02 0.00 -1.74 0.00 0.00 39.64 38.22 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 -0.82 -0.62 -4.06 6.28 5.02 0.42 -4.92 118.16 119.46 2dn4 n LYS 25 Ca 0.07 0.17 -0.35 0.00 -2.02 0.00 0.00 58.31 56.18 2dn4 n LYS 25 Cb 0.47 -3.02 -0.12 0.00 -0.02 0.00 0.00 35.03 32.34 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 -3.59 3.08 -1.47 7.82 0.00 0.52 -4.95 121.76 123.17 2dn4 s ALA 26 Ca 0.44 -0.96 0.16 0.00 0.00 0.00 0.00 51.96 51.60 2dn4 s ALA 26 Cb -0.22 -1.80 0.59 0.00 0.00 0.00 0.00 23.12 21.68 2dn4 s ALA 26 CO 0.95 -0.12 1.48 0.36 0.00 0.00 0.00 175.76 178.43 2dn4 n LYS 27 N 4.18 3.02 -4.53 0.00 2.85 -1.26 -4.50 118.16 117.92 2dn4 n LYS 27 Ca -0.17 -2.34 -0.24 0.00 -1.05 0.00 0.00 58.31 54.51 2dn4 n LYS 27 Cb 0.52 -1.69 -0.11 0.00 -0.65 0.00 0.00 35.03 33.10 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 -0.88 2.29 -0.23 2.58 0.00 -1.26 -5.10 107.32 104.71 2dn4 s GLY 28 Ca 0.42 -2.09 -0.29 0.00 0.00 0.00 0.00 44.72 42.77 2dn4 s GLY 28 CO 0.23 -1.94 1.31 2.56 0.00 0.00 0.00 173.10 175.26 2dn4 s PRO 29 N -3.82 4.04 0.31 2.90 0.04 -1.26 -4.94 135.00 132.28 2dn4 s PRO 29 Ca 0.35 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.93 2dn4 s PRO 29 Cb 0.09 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2dn4 s PRO 29 CO 0.16 -0.96 0.12 0.14 0.04 0.00 0.00 177.00 176.51 2dn4 s VAL 30 N 4.06 3.33 -0.07 -0.36 -7.23 -1.26 -5.13 120.40 113.74 2dn4 s VAL 30 Ca 0.57 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.01 2dn4 s VAL 30 Cb -0.20 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2dn4 s VAL 30 CO 0.20 -0.25 0.08 -0.89 -0.31 0.00 0.00 175.10 173.93 2dn4 s THR 31 N -2.36 4.90 -0.28 5.32 2.01 -1.26 -4.87 115.64 119.10 2dn4 s THR 31 Ca 0.36 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 2dn4 s THR 31 Cb -0.04 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2dn4 s THR 31 CO 0.22 0.52 0.32 -0.63 -0.69 0.00 0.00 174.62 174.36 2dn4 s ILE 32 N -1.05 5.21 -0.50 1.82 1.01 -1.26 -5.03 121.20 121.40 2dn4 s ILE 32 Ca 0.18 0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.98 2dn4 s ILE 32 Cb -0.12 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2dn4 s ILE 32 CO 0.07 0.17 1.46 -2.16 0.00 0.00 0.00 174.94 174.49 2dn4 s PRO 33 N 1.98 3.35 0.10 2.79 0.04 -1.26 -4.86 135.00 137.15 2dn4 s PRO 33 Ca 0.13 0.68 -0.08 0.00 0.04 0.00 0.00 61.00 61.77 2dn4 s PRO 33 Cb -0.16 -4.11 -0.17 0.00 0.04 0.00 0.00 34.50 30.10 2dn4 s PRO 33 CO 0.10 -1.86 1.23 1.88 0.04 0.00 0.00 177.00 178.40 2dn4 h TYR 34 N 11.28 0.75 0.10 0.56 0.05 -1.99 -3.08 116.97 124.65 2dn4 h TYR 34 Ca -0.27 -0.43 -0.01 0.00 0.05 0.00 0.00 58.73 58.07 2dn4 h TYR 34 Cb 1.10 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.77 2dn4 h TYR 34 CO 1.01 1.27 -0.05 -1.00 -1.05 0.00 0.00 178.16 178.34 2dn4 h PRO 35 N 0.26 -0.14 -0.90 4.88 0.13 -1.99 -2.39 132.00 131.85 2dn4 h PRO 35 Ca -0.11 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.24 2dn4 h PRO 35 Cb 1.69 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.68 2dn4 h PRO 35 CO 0.19 -0.09 -0.12 1.28 -0.23 0.00 0.00 178.00 179.03 2dn4 n LEU 36 N -3.24 -0.23 -0.07 1.56 4.77 -1.26 0.18 117.00 118.71 2dn4 n LEU 36 Ca -0.02 1.54 -0.09 0.00 -0.03 0.00 0.00 56.01 57.41 2dn4 n LEU 36 Cb 0.06 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2dn4 n LEU 36 CO 0.04 -1.52 0.98 -0.26 -1.33 0.00 0.00 177.39 175.31 2dn4 h PHE 37 N 0.00 0.34 -0.93 -1.77 -1.00 -1.64 0.84 116.94 112.77 2dn4 h PHE 37 Ca 0.48 0.01 0.13 0.00 2.81 0.00 0.00 57.97 61.41 2dn4 h PHE 37 Cb 0.87 -0.11 -0.08 0.00 3.61 0.00 0.00 35.95 40.24 2dn4 h PHE 37 CO -0.59 0.21 0.60 1.96 -1.61 0.00 0.00 178.31 178.88 2dn4 h GLN 38 N 0.37 0.79 0.00 1.51 1.08 0.24 0.44 115.11 119.54 2dn4 h GLN 38 Ca 0.10 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2dn4 h GLN 38 Cb -0.04 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 2dn4 h GLN 38 CO -0.02 0.52 -0.54 1.03 -0.95 0.00 0.00 178.83 178.87 2dn4 h SER 39 N 0.81 0.00 -2.13 1.46 0.87 -0.25 -3.36 113.55 110.95 2dn4 h SER 39 Ca 0.47 -0.10 -0.55 0.00 -1.23 0.00 0.00 61.79 60.38 2dn4 h SER 39 Cb 0.62 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.18 2dn4 h SER 39 CO -0.23 0.05 -0.90 1.41 -0.53 0.00 0.00 176.83 176.63 2dn4 n HIS 40 N -2.42 1.97 0.80 2.24 8.25 0.28 -4.83 115.22 121.52 2dn4 n HIS 40 Ca 0.03 -3.89 0.13 0.00 -0.26 0.00 0.00 57.72 53.72 2dn4 n HIS 40 Cb 0.48 -0.45 0.34 0.00 1.12 0.00 0.00 29.99 31.48 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 0.37 0.22 0.67 1.59 0.24 0.11 0.83 118.33 122.36 2dn4 n VAL 41 Ca 0.27 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 2dn4 n VAL 41 Cb 0.51 -0.20 0.30 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.83 0.23 0.03 7.34 1.02 -1.26 -4.45 120.64 121.72 2dn4 n GLU 42 Ca 0.05 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2dn4 n GLU 42 Cb 0.39 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.05 0.27 -4.52 1.62 8.00 -1.19 -4.99 116.55 113.69 2dn4 n ASP 43 Ca 0.05 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 2dn4 n ASP 43 Cb 0.42 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.38 2dn4 n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dn4 s LEU 44 N -6.18 4.61 0.12 0.64 1.43 0.24 -2.35 118.68 117.21 2dn4 s LEU 44 Ca 0.00 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 2dn4 s LEU 44 Cb 0.00 -2.41 0.07 0.00 0.03 0.00 0.00 46.19 43.88 2dn4 s LEU 44 CO 0.00 -0.48 0.76 -0.72 0.23 0.00 0.00 176.35 176.14 2dn4 s TYR 45 N 2.16 -0.37 -0.07 0.29 -0.85 -1.17 -3.68 117.35 113.66 2dn4 s TYR 45 Ca 0.13 0.13 -0.01 0.00 -0.52 0.00 0.00 57.07 56.80 2dn4 s TYR 45 Cb -0.16 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 2dn4 s TYR 45 CO 0.13 -0.81 0.01 0.08 -1.52 0.00 0.00 175.55 173.44 2dn4 s VAL 46 N -3.51 4.31 0.39 -3.49 1.01 -1.26 -1.84 120.40 116.01 2dn4 s VAL 46 Ca 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2dn4 s VAL 46 Cb -0.02 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2dn4 s VAL 46 CO -0.07 0.56 0.11 -0.62 0.00 0.00 0.00 175.10 175.09 2dn4 n GLU 47 N 1.98 0.65 -0.92 2.72 1.02 0.48 -4.78 120.64 121.79 2dn4 n GLU 47 Ca -0.18 -3.20 0.00 0.00 -0.02 0.00 0.00 57.16 53.76 2dn4 n GLU 47 Cb 0.53 1.60 0.00 0.00 -0.02 0.00 0.00 31.44 33.56 2dn4 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dn4 n GLY 48 N -0.54 0.75 3.77 0.62 0.00 -1.25 0.14 105.19 108.68 2dn4 n GLY 48 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 3.31 0.00 0.99 1.43 -1.26 -2.49 118.68 120.66 2dn4 s LEU 49 Ca 0.00 1.95 -0.15 0.00 -1.03 0.00 0.00 54.13 54.90 2dn4 s LEU 49 Cb 0.00 -4.54 0.21 0.00 0.03 0.00 0.00 46.19 41.89 2dn4 s LEU 49 CO 0.00 -1.70 0.97 -0.81 0.23 0.00 0.00 176.35 175.05 2dn4 n PRO 50 N -2.65 -1.88 -2.80 1.29 -0.04 -1.26 -4.98 135.00 122.67 2dn4 n PRO 50 Ca 0.10 -1.53 -0.40 0.00 -0.04 0.00 0.00 63.50 61.63 2dn4 n PRO 50 Cb 0.52 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 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 -5.16 4.73 -0.88 0.54 2.12 -1.26 -3.49 118.70 115.29 2dn4 s GLU 51 Ca 0.59 1.38 -0.00 0.00 0.36 0.00 0.00 54.97 57.30 2dn4 s GLU 51 Cb -0.04 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2dn4 s GLU 51 CO 0.43 0.41 0.02 0.41 -0.54 0.00 0.00 175.26 175.99 2dn4 n GLY 52 N 1.84 -0.05 2.86 -1.50 0.00 -1.26 -4.99 105.19 102.09 2dn4 n GLY 52 Ca -0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.54 -0.51 0.00 -0.61 1.01 -1.23 -5.10 121.20 112.21 2dn4 s ILE 53 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2dn4 s ILE 53 Cb -0.01 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2dn4 s ILE 53 CO 0.01 -0.40 0.00 -0.81 0.00 0.00 0.00 174.94 173.74 2dn4 n PRO 54 N 4.83 0.78 -3.63 2.79 -0.04 -1.26 -4.29 135.00 134.19 2dn4 n PRO 54 Ca 0.05 0.00 -0.39 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 33.86 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 -0.15 3.52 0.14 0.54 5.36 -1.26 -4.99 117.98 121.14 2dn4 s PHE 55 Ca 0.00 -2.60 -0.01 0.00 -0.96 0.00 0.00 56.93 53.36 2dn4 s PHE 55 Cb 0.00 -3.34 -0.04 0.00 -0.34 0.00 0.00 43.02 39.30 2dn4 s PHE 55 CO 0.00 -0.86 0.07 1.03 -1.46 0.00 0.00 175.22 173.99 2dn4 s ARG 56 N -0.16 0.97 -0.19 10.12 1.81 -1.26 -4.99 118.95 125.26 2dn4 s ARG 56 Ca 0.18 -1.47 -0.35 0.00 -1.72 0.00 0.00 55.73 52.37 2dn4 s ARG 56 Cb -0.17 0.24 -0.16 0.00 -0.45 0.00 0.00 34.95 34.41 2dn4 s ARG 56 CO -0.05 -0.28 1.06 0.54 -0.68 0.00 0.00 175.30 175.89 2dn4 n ARG 57 N -0.12 0.00 0.00 3.54 1.74 -1.26 -4.74 116.66 115.81 2dn4 n ARG 57 Ca -0.04 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 2dn4 n ARG 57 Cb 0.64 -1.21 0.63 0.00 -1.02 0.00 0.00 32.46 31.51 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 2.14 0.75 -0.12 5.56 -0.04 -1.26 -2.17 135.00 139.86 2dn4 n PRO 58 Ca 0.20 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2dn4 n PRO 58 Cb 0.01 -1.44 0.28 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.94 2.64 -0.00 3.54 3.41 -1.26 -3.83 113.62 117.17 2dn4 n SER 59 Ca 0.16 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2dn4 n SER 59 Cb 0.07 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2dn4 n SER 59 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2dn4 n THR 60 N 0.97 0.00 -2.01 6.66 5.66 -0.92 -5.04 114.28 119.60 2dn4 n THR 60 Ca 0.17 -0.49 -0.31 0.00 -3.05 0.00 0.00 64.05 60.37 2dn4 n THR 60 Cb 0.49 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 2dn4 n THR 60 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2dn4 s TYR 61 N -0.97 3.48 0.74 1.09 2.02 -1.24 -5.05 117.35 117.42 2dn4 s TYR 61 Ca 0.00 1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.96 2dn4 s TYR 61 Cb 0.00 -2.78 0.03 0.00 -0.40 0.00 0.00 41.96 38.82 2dn4 s TYR 61 CO 0.02 -0.67 1.09 0.20 -1.57 0.00 0.00 175.55 174.62 2dn4 s GLY 62 N -3.71 1.63 0.21 0.71 0.00 -1.26 -4.81 107.32 100.10 2dn4 s GLY 62 Ca 0.57 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.99 2dn4 s GLY 62 CO 0.46 0.17 1.83 -2.22 0.00 0.00 0.00 173.10 173.34 2dn4 h ILE 63 N -0.84 1.04 -0.01 0.90 2.04 -1.99 0.22 117.51 118.87 2dn4 h ILE 63 Ca -0.46 -0.27 -0.18 0.00 1.00 0.00 0.00 64.86 64.95 2dn4 h ILE 63 Cb 1.25 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2dn4 h ILE 63 CO 0.61 0.14 -0.80 1.55 0.00 0.00 0.00 178.15 179.65 2dn4 h PRO 64 N 0.78 0.19 -0.57 2.37 0.13 -2.00 -2.60 132.00 130.30 2dn4 h PRO 64 Ca 0.29 -0.18 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 2dn4 h PRO 64 Cb 0.10 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 2dn4 h PRO 64 CO -0.14 0.89 0.10 0.00 -0.23 0.00 0.00 178.00 178.62 2dn4 h ARG 65 N 0.11 0.93 0.05 0.86 3.08 -1.70 -2.73 114.38 114.99 2dn4 h ARG 65 Ca -0.03 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 2dn4 h ARG 65 Cb 1.40 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2dn4 h ARG 65 CO 0.12 0.89 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.81 2dn4 h LEU 66 N 0.83 -0.06 -0.81 3.04 3.38 -0.59 -2.76 115.31 118.34 2dn4 h LEU 66 Ca 0.17 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2dn4 h LEU 66 Cb 0.40 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2dn4 h LEU 66 CO 0.01 0.21 -0.57 -0.33 0.09 0.00 0.00 178.44 177.85 2dn4 h GLU 67 N -0.33 -0.12 -0.52 1.13 5.08 -1.35 0.29 114.58 118.75 2dn4 h GLU 67 Ca -0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2dn4 h GLU 67 Cb 0.30 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 2dn4 h GLU 67 CO 0.01 -0.08 -0.15 0.00 -1.00 0.00 0.00 179.01 177.79 2dn4 h ARG 68 N -0.12 -0.03 -0.84 2.33 3.08 -1.47 0.75 114.38 118.08 2dn4 h ARG 68 Ca 0.14 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.40 2dn4 h ARG 68 Cb 0.48 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2dn4 h ARG 68 CO -0.83 -0.02 0.57 0.82 -1.07 0.00 0.00 179.97 179.44 2dn4 h ILE 69 N -0.03 0.67 0.00 2.04 2.04 -0.24 1.41 117.51 123.40 2dn4 h ILE 69 Ca 0.25 -0.09 -0.17 0.00 1.00 0.00 0.00 64.86 65.86 2dn4 h ILE 69 Cb 0.41 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2dn4 h ILE 69 CO -0.55 0.05 -0.79 -0.07 0.00 0.00 0.00 178.15 176.78 2dn4 h LEU 70 N 0.25 0.00 0.00 1.44 3.38 0.26 -1.17 115.31 119.47 2dn4 h LEU 70 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2dn4 h LEU 70 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dn4 h LEU 70 CO -0.10 0.79 -0.33 0.18 0.09 0.00 0.00 178.44 179.07 2dn4 n LEU 71 N -3.35 0.58 -0.40 1.67 4.77 0.32 -3.14 117.00 117.45 2dn4 n LEU 71 Ca 0.01 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.40 2dn4 n LEU 71 Cb 0.84 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2dn4 n LEU 71 CO 0.44 -0.05 0.27 0.00 -1.33 0.00 0.00 177.39 176.73 2dn4 n ALA 72 N -1.70 3.25 -0.31 -1.18 0.00 0.40 -4.47 120.51 116.50 2dn4 n ALA 72 Ca 0.05 -0.56 0.15 0.00 0.00 0.00 0.00 53.44 53.08 2dn4 n ALA 72 Cb 0.40 -0.62 0.32 0.00 0.00 0.00 0.00 19.45 19.56 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 1.96 0.19 -0.75 0.00 2.10 -1.16 2.22 116.57 121.13 2dn4 h LYS 73 Ca 0.00 -0.01 0.20 0.00 -2.00 0.00 0.00 60.65 58.84 2dn4 h LYS 73 Cb 0.60 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.85 2dn4 h LYS 73 CO 0.00 0.13 0.53 0.93 -2.00 0.00 0.00 179.45 179.04 2dn4 h GLU 74 N 0.20 0.11 0.05 0.07 5.08 -1.81 -1.62 114.58 116.65 2dn4 h GLU 74 Ca 0.59 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.57 2dn4 h GLU 74 Cb 1.23 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2dn4 h GLU 74 CO -0.67 0.07 -2.26 0.54 -1.00 0.00 0.00 179.01 175.69 2dn4 n ARG 75 N -4.37 0.69 -1.20 2.33 1.74 0.65 -4.97 116.66 111.52 2dn4 n ARG 75 Ca 0.15 0.19 -0.40 0.00 -0.77 0.00 0.00 57.85 57.01 2dn4 n ARG 75 Cb 0.75 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 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 -3.30 1.26 -3.57 0.55 5.41 0.42 -3.97 119.36 116.17 2dn4 n ILE 76 Ca -0.39 -0.44 -0.16 0.00 1.00 0.00 0.00 62.75 62.76 2dn4 n ILE 76 Cb 1.03 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.89 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 -0.89 0.94 -0.32 0.38 3.52 0.37 -4.78 118.95 118.17 2dn4 s ARG 77 Ca 0.55 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.68 2dn4 s ARG 77 Cb -0.71 0.45 0.05 0.00 -1.56 0.00 0.00 34.95 33.17 2dn4 s ARG 77 CO 0.52 -0.22 0.05 -0.06 -0.81 0.00 0.00 175.30 174.78 2dn4 s PHE 78 N -0.51 3.27 -0.26 5.12 0.40 -1.26 0.18 117.98 124.93 2dn4 s PHE 78 Ca -0.06 -1.68 -0.22 0.00 -0.60 0.00 0.00 56.93 54.38 2dn4 s PHE 78 Cb -0.02 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 2dn4 s PHE 78 CO 0.06 -0.77 0.69 0.08 0.70 0.00 0.00 175.22 175.97 2dn4 s VAL 79 N 1.32 4.94 -0.82 -0.44 1.01 -0.77 -4.77 120.40 120.87 2dn4 s VAL 79 Ca -0.03 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.20 2dn4 s VAL 79 Cb -0.20 -3.99 0.33 0.00 0.00 0.00 0.00 36.38 32.52 2dn4 s VAL 79 CO 0.01 -0.02 1.41 -0.38 0.00 0.00 0.00 175.10 176.12 2dn4 n ILE 80 N 5.23 4.69 -0.21 2.22 2.08 -1.26 -3.02 119.36 129.08 2dn4 n ILE 80 Ca 0.01 -5.80 -0.10 0.00 0.56 0.00 0.00 62.75 57.42 2dn4 n ILE 80 Cb 0.48 -1.49 -0.06 0.00 -0.75 0.00 0.00 39.64 37.83 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 3.66 -0.24 -5.03 0.38 1.57 -1.84 -3.35 116.57 111.71 2dn4 h LYS 81 Ca 0.34 0.02 -0.65 0.00 -1.87 0.00 0.00 60.65 58.49 2dn4 h LYS 81 Cb 0.41 0.06 -0.23 0.00 0.08 0.00 0.00 32.23 32.54 2dn4 h LYS 81 CO 1.01 -0.16 -0.65 0.15 -0.57 0.00 0.00 179.45 179.23 2dn4 s LYS 82 N -5.75 3.61 -0.13 3.15 -0.14 -1.26 -4.99 119.74 114.22 2dn4 s LYS 82 Ca -0.14 -0.51 -0.08 0.00 -1.36 0.00 0.00 55.97 53.88 2dn4 s LYS 82 Cb 0.12 -3.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 2dn4 s LYS 82 CO 0.65 -0.10 -0.06 0.45 -0.76 0.00 0.00 175.35 175.53 2dn4 h HIS 83 N 7.89 0.00 -0.97 3.18 3.86 -1.99 -3.37 115.15 123.75 2dn4 h HIS 83 Ca -0.38 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.12 2dn4 h HIS 83 Cb 1.17 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.50 2dn4 h HIS 83 CO 0.62 0.14 0.49 1.05 0.86 0.00 0.00 177.93 181.09 2dn4 h GLU 84 N -1.00 0.32 -1.64 2.45 4.11 -1.96 1.01 114.58 117.88 2dn4 h GLU 84 Ca -0.02 -0.02 0.48 0.00 0.07 0.00 0.00 59.36 59.86 2dn4 h GLU 84 Cb 0.42 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 2dn4 h GLU 84 CO -0.01 0.21 1.18 -0.07 0.07 0.00 0.00 179.01 180.39 2dn4 h LEU 85 N 0.33 0.00 0.00 3.06 3.38 -1.99 -1.30 115.31 118.80 2dn4 h LEU 85 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.65 2dn4 h LEU 85 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2dn4 h LEU 85 CO -0.60 -0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.11 2dn4 n LEU 86 N -4.05 0.00 -4.08 1.67 4.77 0.35 -4.86 117.00 110.81 2dn4 n LEU 86 Ca 0.37 0.66 -0.45 0.00 -0.03 0.00 0.00 56.01 56.55 2dn4 n LEU 86 Cb 1.69 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 42.64 2dn4 n LEU 86 CO 0.43 -0.16 -0.16 -0.46 -1.33 0.00 0.00 177.39 175.71 2dn4 n ASN 87 N -1.00 -3.92 -3.80 -1.43 0.23 -0.49 -4.94 115.26 99.90 2dn4 n ASN 87 Ca 0.00 -1.26 -0.15 0.00 -0.53 0.00 0.00 54.58 52.64 2dn4 n ASN 87 Cb 0.00 -1.51 -0.16 0.00 -2.08 0.00 0.00 39.78 36.03 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2dn4 s SER 88 N -3.58 0.18 -0.10 0.53 0.15 -1.26 -5.02 113.70 104.61 2dn4 s SER 88 Ca 0.47 0.01 0.07 0.00 0.70 0.00 0.00 55.95 57.20 2dn4 s SER 88 Cb -0.26 -0.11 -0.11 0.00 -1.71 0.00 0.00 66.02 63.83 2dn4 s SER 88 CO 0.94 -0.10 0.00 1.07 1.20 0.00 0.00 173.24 176.35 2dn4 n THR 89 N 4.00 0.64 -3.43 6.45 5.66 -1.26 -5.07 114.28 121.28 2dn4 n THR 89 Ca -0.25 -0.36 -0.35 0.00 -3.05 0.00 0.00 64.05 60.03 2dn4 n THR 89 Cb 0.51 -0.79 0.04 0.00 -1.55 0.00 0.00 70.33 68.54 2dn4 n THR 89 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2dn4 n ARG 90 N -2.45 -1.95 -3.20 1.09 5.12 -1.26 -4.86 116.66 109.15 2dn4 n ARG 90 Ca -0.16 1.50 -0.42 0.00 -1.93 0.00 0.00 57.85 56.83 2dn4 n ARG 90 Cb 0.78 -2.43 -0.01 0.00 -1.16 0.00 0.00 32.46 29.65 2dn4 n ARG 90 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2dn4 n GLU 91 N -0.16 3.89 -4.06 5.56 2.13 -1.26 -4.97 120.64 121.77 2dn4 n GLU 91 Ca -0.06 -4.52 -0.16 0.00 0.66 0.00 0.00 57.16 53.08 2dn4 n GLU 91 Cb 0.65 -2.50 -0.15 0.00 0.27 0.00 0.00 31.44 29.71 2dn4 n GLU 91 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2dn4 s ASP 92 N -0.59 0.49 -0.13 4.31 2.15 -1.26 -5.13 116.67 116.50 2dn4 s ASP 92 Ca 0.31 -0.06 -0.05 0.00 0.43 0.00 0.00 52.55 53.18 2dn4 s ASP 92 Cb -0.01 -0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.55 2dn4 s ASP 92 CO 0.01 0.00 0.27 -0.22 -0.17 0.00 0.00 175.17 175.07 2dn4 s LEU 93 N 0.27 -0.32 -0.34 -1.34 0.20 -1.26 -5.11 118.68 110.78 2dn4 s LEU 93 Ca -0.03 0.61 0.01 0.00 0.69 0.00 0.00 54.13 55.41 2dn4 s LEU 93 Cb -0.06 0.73 0.11 0.00 -0.43 0.00 0.00 46.19 46.54 2dn4 s LEU 93 CO -0.01 -0.24 0.11 -0.94 -0.29 0.00 0.00 176.35 174.99 2dn4 s SER 94 N 2.43 4.14 0.00 3.68 1.04 -1.26 -5.07 113.70 118.66 2dn4 s SER 94 Ca 0.01 -1.93 0.00 0.00 0.48 0.00 0.00 55.95 54.52 2dn4 s SER 94 Cb -0.12 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.93 2dn4 s SER 94 CO -0.09 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2dn4 n GLY 95 N 4.49 2.61 0.07 7.32 0.00 -1.26 -4.91 105.19 113.51 2dn4 n GLY 95 Ca 0.01 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 2dn4 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn4 h PRO 96 N 0.00 0.06 -3.75 1.61 0.13 -2.03 -3.50 132.00 124.52 2dn4 h PRO 96 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2dn4 h PRO 96 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2dn4 h PRO 96 CO 0.00 0.79 -0.84 0.45 -0.23 0.00 0.00 178.00 178.18 2dn4 n SER 97 N -4.66 -8.31 -3.53 1.44 2.88 -1.26 -5.09 113.62 95.08 2dn4 n SER 97 Ca -0.09 1.19 -0.07 0.00 -1.33 0.00 0.00 58.87 58.57 2dn4 n SER 97 Cb 0.40 -4.42 -0.02 0.00 -0.75 0.00 0.00 64.21 59.42 2dn4 n SER 97 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dn4 s SER 98 N -1.17 -0.29 0.00 -3.46 0.15 -1.26 -5.18 113.70 102.49 2dn4 s SER 98 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2dn4 s SER 98 Cb 0.00 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2dn4 s SER 98 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54