#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 -0.46 -0.14 1.61 0.15 -1.26 -5.10 113.70 108.49 2dn4 s SER 2 Ca 0.00 0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 2dn4 s SER 2 Cb 0.00 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 64.90 2dn4 s SER 2 CO 0.00 -0.71 1.00 -0.55 1.20 0.00 0.00 173.24 174.17 2dn4 s SER 3 N -2.31 -0.35 0.00 5.45 0.15 -1.26 -4.78 113.70 110.59 2dn4 s SER 3 Ca 0.01 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2dn4 s SER 3 Cb -0.01 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2dn4 s SER 3 CO -0.07 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dn4 n GLY 4 N 0.53 1.74 3.44 9.45 0.00 -1.26 -5.10 105.19 114.00 2dn4 n GLY 4 Ca -0.09 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.74 2dn4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn4 s SER 5 N 0.00 2.37 0.07 1.61 1.04 -1.26 -4.91 113.70 112.61 2dn4 s SER 5 Ca 0.00 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2dn4 s SER 5 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2dn4 s SER 5 CO 0.00 -0.59 0.00 -1.20 0.98 0.00 0.00 173.24 172.43 2dn4 n SER 6 N -0.67 -0.59 -4.35 7.02 7.64 -1.26 -5.05 113.62 116.36 2dn4 n SER 6 Ca -0.02 0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 2dn4 n SER 6 Cb 0.66 0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 64.66 2dn4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn4 s GLY 7 N -2.53 1.50 0.08 0.23 0.00 -1.26 -5.01 107.32 100.33 2dn4 s GLY 7 Ca 0.00 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.83 2dn4 s GLY 7 CO 0.00 -1.74 1.30 1.41 0.00 0.00 0.00 173.10 174.07 2dn4 h LEU 8 N 2.50 -1.16 -0.96 0.66 3.38 -1.98 0.40 115.31 118.17 2dn4 h LEU 8 Ca -0.38 0.17 0.13 0.00 0.09 0.00 0.00 57.88 57.89 2dn4 h LEU 8 Cb 1.22 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 42.33 2dn4 h LEU 8 CO 0.64 -0.14 -0.43 -1.14 0.09 0.00 0.00 178.44 177.46 2dn4 n ARG 9 N -4.22 -0.28 -0.23 1.13 0.63 -1.26 0.17 116.66 112.60 2dn4 n ARG 9 Ca 0.01 1.47 0.01 0.00 -0.92 0.00 0.00 57.85 58.41 2dn4 n ARG 9 Cb 0.15 -2.17 0.13 0.00 0.45 0.00 0.00 32.46 31.02 2dn4 n ARG 9 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2dn4 h LYS 10 N 0.00 0.54 -0.26 -0.14 3.64 -1.08 1.59 116.57 120.87 2dn4 h LYS 10 Ca 0.28 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 2dn4 h LYS 10 Cb 0.52 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2dn4 h LYS 10 CO -0.94 0.36 0.04 1.96 -2.27 0.00 0.00 179.45 178.60 2dn4 h GLN 11 N 0.56 0.13 -0.05 1.90 4.20 0.57 0.12 115.11 122.54 2dn4 h GLN 11 Ca 0.34 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 2dn4 h GLN 11 Cb 0.36 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2dn4 h GLN 11 CO -0.27 0.08 -0.03 0.28 -0.67 0.00 0.00 178.83 178.22 2dn4 h VAL 12 N 0.13 1.35 -0.73 -0.54 2.07 0.80 0.28 116.25 119.61 2dn4 h VAL 12 Ca 0.12 -1.11 0.16 0.00 0.82 0.00 0.00 66.70 66.70 2dn4 h VAL 12 Cb 0.13 2.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.77 2dn4 h VAL 12 CO -0.17 0.30 -0.01 -0.33 0.02 0.00 0.00 177.57 177.38 2dn4 h GLU 13 N -0.32 0.09 -0.30 1.57 5.08 0.26 1.46 114.58 122.42 2dn4 h GLU 13 Ca 0.01 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2dn4 h GLU 13 Cb 0.50 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dn4 h GLU 13 CO 0.01 0.06 -0.48 0.93 -1.00 0.00 0.00 179.01 178.53 2dn4 h GLU 14 N 0.10 0.86 0.93 2.33 4.39 -0.71 -3.05 114.58 119.43 2dn4 h GLU 14 Ca 0.39 -0.52 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 2dn4 h GLU 14 Cb 0.67 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2dn4 h GLU 14 CO -0.65 1.16 -0.44 1.25 -1.16 0.00 0.00 179.01 179.17 2dn4 h LEU 15 N 0.65 -1.05 -0.93 1.33 5.85 0.15 0.33 115.31 121.64 2dn4 h LEU 15 Ca 0.03 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2dn4 h LEU 15 Cb 1.09 0.27 -0.15 0.00 0.37 0.00 0.00 40.66 42.24 2dn4 h LEU 15 CO 0.11 -0.72 -0.37 0.49 -0.34 0.00 0.00 178.44 177.60 2dn4 n PHE 16 N -5.61 0.00 0.05 1.25 3.01 0.47 0.22 117.46 116.86 2dn4 n PHE 16 Ca -0.16 1.15 -0.12 0.00 1.01 0.00 0.00 57.45 59.33 2dn4 n PHE 16 Cb 0.49 -0.83 -0.07 0.00 -0.01 0.00 0.00 39.48 39.06 2dn4 n PHE 16 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dn4 h GLU 17 N 0.00 -0.05 -0.76 -1.08 5.08 -1.42 -2.55 114.58 113.80 2dn4 h GLU 17 Ca 0.31 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 2dn4 h GLU 17 Cb 0.55 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 2dn4 h GLU 17 CO -0.92 0.02 -0.46 0.00 -1.00 0.00 0.00 179.01 176.65 2dn4 h ARG 18 N -0.10 -0.01 -0.21 2.33 3.08 0.20 1.64 114.38 121.31 2dn4 h ARG 18 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2dn4 h ARG 18 Cb 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 2dn4 h ARG 18 CO 0.01 -0.01 -0.42 0.87 -1.07 0.00 0.00 179.97 179.36 2dn4 h LYS 19 N -0.01 -0.42 -0.12 0.04 1.79 -1.16 0.83 116.57 117.52 2dn4 h LYS 19 Ca 0.12 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.67 2dn4 h LYS 19 Cb 0.32 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 2dn4 h LYS 19 CO -0.72 -0.28 -0.28 -0.92 -1.08 0.00 0.00 179.45 176.17 2dn4 h TYR 20 N -0.44 -0.77 -0.88 -1.35 3.20 -0.38 0.32 116.97 116.67 2dn4 h TYR 20 Ca 0.10 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.11 2dn4 h TYR 20 Cb 0.61 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 39.16 2dn4 h TYR 20 CO -0.52 -0.36 0.51 0.00 -1.64 0.00 0.00 178.16 176.15 2dn4 h ALA 21 N 0.51 1.28 -0.81 1.82 0.00 0.31 0.57 119.26 122.96 2dn4 h ALA 21 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2dn4 h ALA 21 Cb 0.51 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2dn4 h ALA 21 CO -0.32 0.11 0.39 1.96 0.00 0.00 0.00 179.25 181.39 2dn4 h GLN 22 N 0.83 1.16 0.00 0.00 1.08 0.22 1.82 115.11 120.22 2dn4 h GLN 22 Ca 0.43 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2dn4 h GLN 22 Cb 0.43 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2dn4 h GLN 22 CO -0.26 0.89 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 2dn4 h ALA 23 N 1.27 1.00 0.00 3.87 0.00 0.19 0.18 119.26 125.77 2dn4 h ALA 23 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dn4 h ALA 23 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2dn4 h ALA 23 CO -0.04 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.65 2dn4 n ILE 24 N -2.93 0.81 -3.60 0.00 -5.35 -0.07 -5.01 119.36 103.21 2dn4 n ILE 24 Ca -0.02 -0.88 -0.28 0.00 -0.27 0.00 0.00 62.75 61.31 2dn4 n ILE 24 Cb 0.12 0.60 0.05 0.00 -1.74 0.00 0.00 39.64 38.67 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 -0.40 -1.63 -3.82 6.28 4.76 0.52 -4.95 118.16 118.91 2dn4 n LYS 25 Ca 0.00 0.54 -0.36 0.00 -2.87 0.00 0.00 58.31 55.62 2dn4 n LYS 25 Cb 0.23 -4.51 -0.13 0.00 -1.84 0.00 0.00 35.03 28.77 2dn4 n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dn4 s ALA 26 N -3.47 3.01 -0.32 7.82 0.00 0.41 -4.95 121.76 124.27 2dn4 s ALA 26 Ca 0.44 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2dn4 s ALA 26 Cb -0.14 -1.92 0.46 0.00 0.00 0.00 0.00 23.12 21.52 2dn4 s ALA 26 CO 0.84 -0.48 1.62 1.17 0.00 0.00 0.00 175.76 178.90 2dn4 n LYS 27 N 4.87 1.95 -4.16 0.00 4.81 -1.26 -4.49 118.16 119.87 2dn4 n LYS 27 Ca -0.17 -2.07 -0.12 0.00 -0.87 0.00 0.00 58.31 55.09 2dn4 n LYS 27 Cb 0.51 -1.82 -0.09 0.00 0.02 0.00 0.00 35.03 33.65 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2dn4 s GLY 28 N -0.57 1.29 -0.25 3.14 0.00 -1.26 -5.12 107.32 104.55 2dn4 s GLY 28 Ca 0.39 -1.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 2dn4 s GLY 28 CO 0.08 -1.24 1.32 2.56 0.00 0.00 0.00 173.10 175.81 2dn4 s PRO 29 N -4.09 4.01 0.35 2.90 0.04 -1.26 -4.94 135.00 132.01 2dn4 s PRO 29 Ca 0.36 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.91 2dn4 s PRO 29 Cb 0.05 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 2dn4 s PRO 29 CO 0.12 -0.99 0.13 0.14 0.04 0.00 0.00 177.00 176.43 2dn4 s VAL 30 N 4.15 2.87 0.29 -0.36 -7.23 -1.26 -4.65 120.40 114.20 2dn4 s VAL 30 Ca 0.57 -1.74 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 2dn4 s VAL 30 Cb -0.19 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 2dn4 s VAL 30 CO 0.21 -0.16 0.31 0.28 -0.31 0.00 0.00 175.10 175.42 2dn4 s THR 31 N -2.46 4.32 -0.21 5.32 -1.32 -1.26 -4.87 115.64 115.16 2dn4 s THR 31 Ca 0.38 -1.23 0.02 0.00 -1.21 0.00 0.00 61.69 59.65 2dn4 s THR 31 Cb -0.01 -3.45 0.04 0.00 -1.51 0.00 0.00 72.50 67.57 2dn4 s THR 31 CO 0.22 -0.26 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.60 2dn4 s ILE 32 N -2.15 1.95 -0.24 5.08 1.01 -1.26 -5.04 121.20 120.55 2dn4 s ILE 32 Ca 0.37 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 2dn4 s ILE 32 Cb -0.08 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2dn4 s ILE 32 CO 0.27 0.24 1.32 -2.16 0.00 0.00 0.00 174.94 174.62 2dn4 s PRO 33 N 1.27 4.01 0.15 2.79 0.04 -1.26 -4.90 135.00 137.10 2dn4 s PRO 33 Ca -0.01 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.48 2dn4 s PRO 33 Cb -0.16 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 2dn4 s PRO 33 CO -0.09 -1.00 1.35 1.88 0.04 0.00 0.00 177.00 179.18 2dn4 h TYR 34 N 9.07 0.32 0.07 0.56 0.05 -1.98 -3.07 116.97 121.99 2dn4 h TYR 34 Ca -0.27 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 2dn4 h TYR 34 Cb 1.11 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2dn4 h TYR 34 CO 0.86 1.02 -0.03 -1.00 -1.05 0.00 0.00 178.16 177.95 2dn4 h PRO 35 N 0.11 -0.09 -0.95 4.88 0.13 -1.97 0.54 132.00 134.65 2dn4 h PRO 35 Ca -0.05 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 65.36 2dn4 h PRO 35 Cb 1.57 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.54 2dn4 h PRO 35 CO 0.14 -0.06 0.07 1.28 -0.23 0.00 0.00 178.00 179.19 2dn4 n LEU 36 N -2.85 -0.07 -0.09 1.56 4.77 -1.26 0.21 117.00 119.26 2dn4 n LEU 36 Ca -0.01 1.61 -0.14 0.00 -0.03 0.00 0.00 56.01 57.44 2dn4 n LEU 36 Cb 0.04 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 2dn4 n LEU 36 CO 0.03 -1.65 0.47 -0.26 -1.33 0.00 0.00 177.39 174.65 2dn4 h PHE 37 N 0.00 1.11 -0.59 -1.77 -1.00 -1.64 0.48 116.94 113.53 2dn4 h PHE 37 Ca 0.60 -0.38 -0.09 0.00 2.81 0.00 0.00 57.97 60.91 2dn4 h PHE 37 Cb 1.28 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 2dn4 h PHE 37 CO -0.44 1.21 0.00 0.37 -1.61 0.00 0.00 178.31 177.84 2dn4 h GLN 38 N 0.69 1.02 0.00 1.51 4.15 0.48 -1.11 115.11 121.85 2dn4 h GLN 38 Ca 0.03 -0.31 -0.13 0.00 0.77 0.00 0.00 58.65 59.01 2dn4 h GLN 38 Cb 1.10 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 2dn4 h GLN 38 CO 0.11 0.99 -0.60 1.03 -1.93 0.00 0.00 178.83 178.44 2dn4 h SER 39 N 0.93 0.00 -2.18 -0.69 0.87 0.24 -3.34 113.55 109.39 2dn4 h SER 39 Ca 0.17 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.14 2dn4 h SER 39 Cb 0.54 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.08 2dn4 h SER 39 CO 0.03 0.60 -0.72 1.41 -0.53 0.00 0.00 176.83 177.61 2dn4 n HIS 40 N -3.54 2.60 1.31 2.24 8.25 0.15 -4.83 115.22 121.39 2dn4 n HIS 40 Ca -0.00 -4.01 0.14 0.00 -0.26 0.00 0.00 57.72 53.59 2dn4 n HIS 40 Cb 0.66 -0.50 0.59 0.00 1.12 0.00 0.00 29.99 31.87 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 1.05 0.00 0.08 1.59 0.24 -0.46 -0.11 118.33 120.72 2dn4 n VAL 41 Ca 0.27 -0.04 0.07 0.00 -2.04 0.00 0.00 64.34 62.61 2dn4 n VAL 41 Cb 0.44 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.62 2dn4 n VAL 41 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dn4 h GLU 42 N 0.35 0.00 0.00 7.34 5.08 -1.88 -3.41 114.58 122.06 2dn4 h GLU 42 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2dn4 h GLU 42 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2dn4 h GLU 42 CO 0.00 0.11 -1.33 -0.25 -1.00 0.00 0.00 179.01 176.54 2dn4 n ASP 43 N -2.77 0.97 -4.53 1.42 9.92 -1.18 -4.95 116.55 115.43 2dn4 n ASP 43 Ca -0.03 0.16 -0.41 0.00 -0.53 0.00 0.00 54.79 53.98 2dn4 n ASP 43 Cb 0.66 -0.38 -0.10 0.00 -0.64 0.00 0.00 41.12 40.66 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 -6.81 4.56 -0.08 0.64 1.43 0.85 -2.07 118.68 117.20 2dn4 s LEU 44 Ca -0.15 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 2dn4 s LEU 44 Cb 0.05 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2dn4 s LEU 44 CO 0.20 -0.32 0.75 -0.72 0.23 0.00 0.00 176.35 176.49 2dn4 s TYR 45 N 1.86 -0.60 0.13 0.29 -0.85 -1.22 -3.88 117.35 113.08 2dn4 s TYR 45 Ca 0.09 1.03 -0.08 0.00 -0.52 0.00 0.00 57.07 57.59 2dn4 s TYR 45 Cb -0.17 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.53 2dn4 s TYR 45 CO 0.11 -0.55 0.41 0.08 -1.52 0.00 0.00 175.55 174.08 2dn4 s VAL 46 N -1.15 5.10 0.41 -3.49 1.01 -1.26 -2.16 120.40 118.85 2dn4 s VAL 46 Ca -0.09 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2dn4 s VAL 46 Cb -0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2dn4 s VAL 46 CO 0.08 0.13 0.18 -1.61 0.00 0.00 0.00 175.10 173.87 2dn4 s GLU 47 N -2.37 1.95 0.00 2.72 2.02 0.51 -4.80 118.70 118.72 2dn4 s GLU 47 Ca 0.39 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 53.19 2dn4 s GLU 47 Cb -0.13 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 33.73 2dn4 s GLU 47 CO 0.21 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2dn4 n GLY 48 N -0.89 0.73 3.77 -1.39 0.00 -1.25 0.14 105.19 106.29 2dn4 n GLY 48 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 3.53 1.02 0.99 1.43 -1.26 -2.52 118.68 121.87 2dn4 s LEU 49 Ca 0.00 2.09 -0.16 0.00 -1.03 0.00 0.00 54.13 55.04 2dn4 s LEU 49 Cb 0.00 -4.57 0.21 0.00 0.03 0.00 0.00 46.19 41.86 2dn4 s LEU 49 CO 0.00 -1.50 1.19 -2.16 0.23 0.00 0.00 176.35 174.11 2dn4 s PRO 50 N -3.76 0.21 0.27 1.29 0.04 -1.26 -4.99 135.00 126.80 2dn4 s PRO 50 Ca 0.70 -0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 2dn4 s PRO 50 Cb -0.22 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2dn4 s PRO 50 CO 0.36 -2.76 1.06 -1.21 0.04 0.00 0.00 177.00 174.49 2dn4 s GLU 51 N -5.53 4.69 -0.96 4.56 2.02 -1.26 -3.19 118.70 119.03 2dn4 s GLU 51 Ca 0.69 1.73 0.00 0.00 0.02 0.00 0.00 54.97 57.41 2dn4 s GLU 51 Cb -0.09 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2dn4 s GLU 51 CO 0.54 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.51 2dn4 n GLY 52 N 1.25 0.02 2.87 -1.39 0.00 -1.26 -4.98 105.19 101.69 2dn4 n GLY 52 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.54 0.00 -0.61 1.01 -1.19 -5.10 121.20 112.23 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 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.66 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 4.93 0.98 -3.67 2.79 -0.04 -1.26 -4.28 135.00 134.46 2dn4 n PRO 54 Ca 0.04 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 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 -0.01 3.51 0.15 0.54 5.36 -1.26 -4.98 117.98 121.28 2dn4 s PHE 55 Ca 0.00 -2.71 -0.01 0.00 -0.96 0.00 0.00 56.93 53.26 2dn4 s PHE 55 Cb 0.00 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 2dn4 s PHE 55 CO 0.00 -0.83 0.06 1.03 -1.46 0.00 0.00 175.22 174.01 2dn4 s ARG 56 N -0.28 0.99 -0.18 10.12 1.81 -1.26 -5.01 118.95 125.14 2dn4 s ARG 56 Ca 0.19 -1.48 -0.37 0.00 -1.72 0.00 0.00 55.73 52.35 2dn4 s ARG 56 Cb -0.17 0.16 -0.17 0.00 -0.45 0.00 0.00 34.95 34.32 2dn4 s ARG 56 CO -0.05 -0.26 1.11 0.54 -0.68 0.00 0.00 175.30 175.96 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 57.14 2dn4 n ARG 57 Cb 0.64 -1.28 0.61 0.00 -1.02 0.00 0.00 32.46 31.42 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 2.20 0.75 -0.20 5.56 -0.04 -1.26 -2.35 135.00 139.65 2dn4 n PRO 58 Ca 0.21 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 2dn4 n PRO 58 Cb 0.02 -1.43 0.25 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 -0.93 2.54 -0.00 3.54 3.41 -1.26 -4.01 113.62 116.91 2dn4 n SER 59 Ca 0.16 -1.93 -0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2dn4 n SER 59 Cb 0.07 -0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.89 0.01 -0.91 6.66 -2.24 -0.99 -5.06 114.28 112.64 2dn4 n THR 60 Ca 0.17 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.61 2dn4 n THR 60 Cb 0.42 -0.76 0.12 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.24 -0.87 -1.86 4.78 4.01 -1.24 -4.98 117.16 114.77 2dn4 n TYR 61 Ca -0.00 0.29 -0.30 0.00 -0.16 0.00 0.00 57.90 57.72 2dn4 n TYR 61 Cb 0.50 -1.86 0.05 0.00 -0.31 0.00 0.00 39.34 37.73 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 -1.97 1.63 0.22 2.72 0.00 -1.26 -4.80 107.32 103.85 2dn4 s GLY 62 Ca 0.61 -0.34 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 2dn4 s GLY 62 CO 0.63 0.04 1.82 -2.22 0.00 0.00 0.00 173.10 173.37 2dn4 h ILE 63 N -0.70 0.99 -0.03 0.90 5.03 -1.99 0.40 117.51 122.11 2dn4 h ILE 63 Ca -0.45 -0.26 -0.21 0.00 -0.12 0.00 0.00 64.86 63.82 2dn4 h ILE 63 Cb 1.26 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 35.21 2dn4 h ILE 63 CO 0.63 0.14 -0.86 1.55 -0.68 0.00 0.00 178.15 178.93 2dn4 h PRO 64 N 0.76 0.42 -0.73 2.37 0.13 -2.00 -2.61 132.00 130.35 2dn4 h PRO 64 Ca 0.32 -0.41 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 2dn4 h PRO 64 Cb 0.17 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.38 2dn4 h PRO 64 CO -0.17 1.06 0.21 0.00 -0.23 0.00 0.00 178.00 178.87 2dn4 h ARG 65 N 0.26 1.14 0.32 0.86 3.08 -1.72 -2.83 114.38 115.48 2dn4 h ARG 65 Ca -0.06 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 2dn4 h ARG 65 Cb 1.48 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2dn4 h ARG 65 CO 0.15 0.98 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.80 2dn4 h LEU 66 N 1.09 -0.37 -0.94 3.04 3.38 -0.23 -2.84 115.31 118.43 2dn4 h LEU 66 Ca 0.23 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2dn4 h LEU 66 Cb 0.33 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.04 2dn4 h LEU 66 CO -0.00 -0.06 -0.48 -0.62 0.09 0.00 0.00 178.44 177.36 2dn4 n GLU 67 N -5.17 -0.34 -0.12 1.13 1.02 -0.99 0.44 120.64 116.61 2dn4 n GLU 67 Ca -0.10 1.43 -0.06 0.00 -0.02 0.00 0.00 57.16 58.42 2dn4 n GLU 67 Cb 0.26 -2.11 0.01 0.00 -0.02 0.00 0.00 31.44 29.58 2dn4 n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dn4 h ARG 68 N 0.00 -0.14 -0.90 3.49 3.08 -1.48 0.79 114.38 119.22 2dn4 h ARG 68 Ca 0.22 0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.53 2dn4 h ARG 68 Cb 0.45 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 2dn4 h ARG 68 CO -0.90 -0.09 0.64 0.82 -1.07 0.00 0.00 179.97 179.36 2dn4 h ILE 69 N -0.15 0.57 0.03 2.04 2.04 0.24 1.68 117.51 123.96 2dn4 h ILE 69 Ca 0.20 -0.02 -0.24 0.00 1.00 0.00 0.00 64.86 65.79 2dn4 h ILE 69 Cb 0.46 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2dn4 h ILE 69 CO -0.50 0.01 -1.22 -0.07 0.00 0.00 0.00 178.15 176.37 2dn4 h LEU 70 N 0.07 0.11 -0.26 1.44 3.38 0.21 -1.89 115.31 118.36 2dn4 h LEU 70 Ca 0.44 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 2dn4 h LEU 70 Cb 1.63 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2dn4 h LEU 70 CO -0.04 1.11 -0.35 -0.07 0.09 0.00 0.00 178.44 179.18 2dn4 h LEU 71 N 0.02 0.00 -0.94 1.67 3.38 0.57 -2.87 115.31 117.14 2dn4 h LEU 71 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2dn4 h LEU 71 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2dn4 h LEU 71 CO 0.14 0.35 -0.28 0.00 0.09 0.00 0.00 178.44 178.73 2dn4 n ALA 72 N -2.20 3.14 -0.32 1.53 0.00 0.49 -4.30 120.51 118.85 2dn4 n ALA 72 Ca 0.02 -0.54 0.20 0.00 0.00 0.00 0.00 53.44 53.11 2dn4 n ALA 72 Cb 0.63 -0.96 0.40 0.00 0.00 0.00 0.00 19.45 19.52 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 2.29 0.16 -0.93 0.00 2.10 -1.10 2.11 116.57 121.20 2dn4 h LYS 73 Ca 0.00 -0.01 0.18 0.00 -2.00 0.00 0.00 60.65 58.82 2dn4 h LYS 73 Cb 0.67 -0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.89 2dn4 h LYS 73 CO 0.00 0.10 0.60 0.93 -2.00 0.00 0.00 179.45 179.08 2dn4 h GLU 74 N 0.16 0.58 0.11 0.07 5.08 -1.80 -1.79 114.58 117.00 2dn4 h GLU 74 Ca 0.67 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.63 2dn4 h GLU 74 Cb 1.50 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2dn4 h GLU 74 CO -0.72 0.38 -1.97 0.54 -1.00 0.00 0.00 179.01 176.25 2dn4 n ARG 75 N -4.59 0.75 -1.18 2.33 1.74 0.63 -4.95 116.66 111.39 2dn4 n ARG 75 Ca 0.20 0.27 -0.40 0.00 -0.77 0.00 0.00 57.85 57.14 2dn4 n ARG 75 Cb 0.59 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 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 -3.43 1.40 -3.59 0.55 5.41 0.36 -3.94 119.36 116.12 2dn4 n ILE 76 Ca -0.30 -0.43 -0.14 0.00 1.00 0.00 0.00 62.75 62.87 2dn4 n ILE 76 Cb 1.05 0.00 -0.07 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 -0.86 0.85 -0.34 0.38 3.52 0.36 -4.79 118.95 118.08 2dn4 s ARG 77 Ca 0.54 0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 56.70 2dn4 s ARG 77 Cb -0.73 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.10 2dn4 s ARG 77 CO 0.50 -0.18 0.10 -0.06 -0.81 0.00 0.00 175.30 174.85 2dn4 s PHE 78 N -0.30 3.25 0.03 5.12 0.40 -1.26 0.19 117.98 125.40 2dn4 s PHE 78 Ca -0.03 -1.39 -0.20 0.00 -0.60 0.00 0.00 56.93 54.70 2dn4 s PHE 78 Cb -0.03 -2.27 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 2dn4 s PHE 78 CO 0.03 -0.72 0.59 0.08 0.70 0.00 0.00 175.22 175.90 2dn4 s VAL 79 N 1.41 4.84 -0.62 -0.44 1.01 -0.92 -4.79 120.40 120.89 2dn4 s VAL 79 Ca -0.01 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.26 2dn4 s VAL 79 Cb -0.19 -3.92 0.19 0.00 0.00 0.00 0.00 36.38 32.46 2dn4 s VAL 79 CO 0.03 0.47 0.53 -0.38 0.00 0.00 0.00 175.10 175.74 2dn4 n ILE 80 N 2.36 1.13 -0.25 2.22 2.08 -1.26 -3.44 119.36 122.20 2dn4 n ILE 80 Ca -0.08 -4.63 -0.05 0.00 0.56 0.00 0.00 62.75 58.55 2dn4 n ILE 80 Cb 0.51 -2.06 0.05 0.00 -0.75 0.00 0.00 39.64 37.39 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 5.06 0.91 -4.88 0.38 1.79 -1.79 -3.38 116.57 114.65 2dn4 h LYS 81 Ca 0.18 -0.06 -0.67 0.00 -2.18 0.00 0.00 60.65 57.92 2dn4 h LYS 81 Cb 0.77 -0.20 -0.31 0.00 -1.58 0.00 0.00 32.23 30.90 2dn4 h LYS 81 CO 0.66 0.60 -0.72 0.15 -1.08 0.00 0.00 179.45 179.06 2dn4 s LYS 82 N -6.14 2.84 -0.15 3.15 -0.14 -1.26 -4.98 119.74 113.06 2dn4 s LYS 82 Ca -0.13 -0.98 -0.18 0.00 -1.36 0.00 0.00 55.97 53.32 2dn4 s LYS 82 Cb 0.14 -3.06 -0.15 0.00 -1.68 0.00 0.00 37.83 33.08 2dn4 s LYS 82 CO 0.77 -0.42 0.31 0.45 -0.76 0.00 0.00 175.35 175.70 2dn4 h HIS 83 N 8.04 0.00 -0.93 3.18 3.86 -1.97 -3.35 115.15 123.98 2dn4 h HIS 83 Ca -0.31 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.17 2dn4 h HIS 83 Cb 1.11 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.43 2dn4 h HIS 83 CO 0.59 0.77 0.33 1.05 0.86 0.00 0.00 177.93 181.53 2dn4 h GLU 84 N -1.00 0.21 -1.13 2.45 4.11 -1.97 1.22 114.58 118.47 2dn4 h GLU 84 Ca -0.10 -0.01 0.33 0.00 0.07 0.00 0.00 59.36 59.65 2dn4 h GLU 84 Cb 0.80 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.89 2dn4 h GLU 84 CO -0.06 0.14 0.72 -0.07 0.07 0.00 0.00 179.01 179.81 2dn4 h LEU 85 N 0.21 0.38 -5.12 3.06 3.38 -1.99 0.34 115.31 115.57 2dn4 h LEU 85 Ca 0.62 0.11 -0.66 0.00 0.09 0.00 0.00 57.88 58.05 2dn4 h LEU 85 Cb 1.34 0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.95 2dn4 h LEU 85 CO -0.67 -0.03 1.08 0.18 0.09 0.00 0.00 178.44 179.10 2dn4 n LEU 86 N -4.69 7.19 -4.31 1.67 4.77 0.42 -4.88 117.00 117.16 2dn4 n LEU 86 Ca 0.30 -4.60 -0.46 0.00 -0.03 0.00 0.00 56.01 51.22 2dn4 n LEU 86 Cb 1.07 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2dn4 n LEU 86 CO 0.22 1.86 0.12 0.54 -1.33 0.00 0.00 177.39 178.80 2dn4 s ASN 87 N -0.19 6.16 -0.33 -1.43 2.20 0.12 -4.77 114.94 116.70 2dn4 s ASN 87 Ca 0.54 -1.74 0.05 0.00 -0.94 0.00 0.00 52.86 50.77 2dn4 s ASN 87 Cb 0.33 -2.20 0.21 0.00 -2.00 0.00 0.00 41.25 37.59 2dn4 s ASN 87 CO -0.23 -0.83 1.17 -1.20 -2.94 0.00 0.00 177.10 173.08 2dn4 n SER 88 N 5.23 -1.39 -4.00 3.54 7.64 -1.26 -5.05 113.62 118.32 2dn4 n SER 88 Ca -0.14 -1.96 -0.43 0.00 1.01 0.00 0.00 58.87 57.35 2dn4 n SER 88 Cb 0.40 0.93 0.01 0.00 -1.01 0.00 0.00 64.21 64.54 2dn4 n SER 88 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dn4 n THR 89 N -0.59 4.83 -3.69 0.44 -2.24 -1.26 -4.91 114.28 106.87 2dn4 n THR 89 Ca -0.16 -5.22 -0.12 0.00 -2.27 0.00 0.00 64.05 56.28 2dn4 n THR 89 Cb 0.73 -2.25 -0.09 0.00 -2.10 0.00 0.00 70.33 66.63 2dn4 n THR 89 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2dn4 s ARG 90 N -1.17 0.58 -0.17 -0.78 6.06 -1.26 -5.04 118.95 117.16 2dn4 s ARG 90 Ca 0.35 0.81 -0.04 0.00 -2.50 0.00 0.00 55.73 54.35 2dn4 s ARG 90 Cb 0.05 0.21 0.02 0.00 0.06 0.00 0.00 34.95 35.29 2dn4 s ARG 90 CO 0.05 -0.10 0.08 0.39 -2.50 0.00 0.00 175.30 173.22 2dn4 n GLU 91 N 3.30 -2.99 -3.18 5.12 -0.58 -1.26 -5.03 120.64 116.02 2dn4 n GLU 91 Ca -0.16 2.44 0.02 0.00 -0.42 0.00 0.00 57.16 59.04 2dn4 n GLU 91 Cb 0.56 -3.87 -0.01 0.00 -0.57 0.00 0.00 31.44 27.56 2dn4 n GLU 91 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2dn4 s ASP 92 N -0.98 -1.50 -0.20 1.62 2.15 -1.26 -5.15 116.67 111.35 2dn4 s ASP 92 Ca -0.09 -0.52 -0.31 0.00 0.43 0.00 0.00 52.55 52.05 2dn4 s ASP 92 Cb 0.01 1.92 0.15 0.00 -0.30 0.00 0.00 42.92 44.70 2dn4 s ASP 92 CO 0.54 -0.19 1.17 -0.22 -0.17 0.00 0.00 175.17 176.30 2dn4 s LEU 93 N 2.09 -0.19 -0.29 -1.34 2.96 -1.26 -5.08 118.68 115.56 2dn4 s LEU 93 Ca 0.15 0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.02 2dn4 s LEU 93 Cb -0.05 1.48 0.18 0.00 0.50 0.00 0.00 46.19 48.30 2dn4 s LEU 93 CO -0.12 -0.23 1.18 -0.94 -1.32 0.00 0.00 176.35 174.93 2dn4 s SER 94 N -1.47 -0.23 -0.32 3.68 1.04 -1.26 -5.10 113.70 110.03 2dn4 s SER 94 Ca 0.05 0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.86 2dn4 s SER 94 Cb -0.01 0.91 0.19 0.00 0.10 0.00 0.00 66.02 67.21 2dn4 s SER 94 CO -0.04 -0.06 0.82 -0.83 0.98 0.00 0.00 173.24 174.11 2dn4 s GLY 95 N 0.89 -1.22 -0.44 7.32 0.00 -1.26 -4.77 107.32 107.83 2dn4 s GLY 95 Ca -0.05 1.23 -0.29 0.00 0.00 0.00 0.00 44.72 45.62 2dn4 s GLY 95 CO -0.12 3.93 1.43 2.56 0.00 0.00 0.00 173.10 180.90 2dn4 s PRO 96 N 2.49 3.49 0.00 2.90 0.04 -1.26 -4.17 135.00 138.49 2dn4 s PRO 96 Ca 0.17 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2dn4 s PRO 96 Cb -0.04 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2dn4 s PRO 96 CO -0.19 -1.67 0.00 0.45 0.04 0.00 0.00 177.00 175.63 2dn4 n SER 97 N 9.09 -0.02 -3.62 6.66 2.88 -1.26 -5.14 113.62 122.21 2dn4 n SER 97 Ca 0.16 0.44 -0.10 0.00 -1.33 0.00 0.00 58.87 58.04 2dn4 n SER 97 Cb 0.48 0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 64.33 2dn4 n SER 97 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn4 s SER 98 N -2.00 -0.46 0.00 -3.46 1.04 -1.26 -5.36 113.70 102.20 2dn4 s SER 98 Ca 0.00 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2dn4 s SER 98 Cb 0.00 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2dn4 s SER 98 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61