#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 n SER 2 N 0.00 -7.82 0.19 1.61 7.64 -1.26 -5.05 113.62 108.93 2dn4 n SER 2 Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2dn4 n SER 2 Cb 0.00 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 2dn4 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn4 n SER 3 N 1.45 -2.94 0.00 6.43 7.64 -1.26 -5.07 113.62 119.88 2dn4 n SER 3 Ca 0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 2dn4 n SER 3 Cb 0.00 2.82 0.00 0.00 -1.01 0.00 0.00 64.21 66.02 2dn4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 4 N -0.76 0.12 1.19 0.23 0.00 -1.26 -5.15 105.19 99.57 2dn4 n GLY 4 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.26 -6.47 -2.58 1.61 7.64 -1.26 -5.00 113.62 105.31 2dn4 n SER 5 Ca 0.00 1.29 -0.05 0.00 1.01 0.00 0.00 58.87 61.12 2dn4 n SER 5 Cb 0.00 -3.98 -0.04 0.00 -1.01 0.00 0.00 64.21 59.18 2dn4 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn4 n SER 6 N -3.43 -1.47 0.00 6.43 7.64 -1.26 -5.06 113.62 116.47 2dn4 n SER 6 Ca -0.05 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.25 2dn4 n SER 6 Cb 0.50 -5.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 2dn4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 7 N 1.76 1.51 0.42 0.23 0.00 -1.26 -4.93 105.19 102.92 2dn4 n GLY 7 Ca -0.38 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2dn4 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dn4 h LEU 8 N 0.00 -2.11 -0.81 0.99 3.38 -1.97 0.68 115.31 115.47 2dn4 h LEU 8 Ca 0.00 0.32 0.16 0.00 0.09 0.00 0.00 57.88 58.45 2dn4 h LEU 8 Cb 0.00 0.93 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2dn4 h LEU 8 CO 0.00 -0.26 -0.21 -0.09 0.09 0.00 0.00 178.44 177.97 2dn4 h ARG 9 N -0.06 -0.00 -0.23 1.13 2.43 -1.96 0.53 114.38 116.21 2dn4 h ARG 9 Ca 0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2dn4 h ARG 9 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2dn4 h ARG 9 CO -0.89 -0.00 0.14 -0.22 -1.51 0.00 0.00 179.97 177.49 2dn4 h LYS 10 N -0.00 0.31 -0.94 0.20 1.63 -0.34 0.73 116.57 118.16 2dn4 h LYS 10 Ca 0.39 -0.03 0.15 0.00 -0.85 0.00 0.00 60.65 60.30 2dn4 h LYS 10 Cb 0.59 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 2dn4 h LYS 10 CO -0.84 0.26 0.55 1.96 -3.45 0.00 0.00 179.45 177.92 2dn4 h GLN 11 N 0.28 0.76 -0.02 1.90 4.20 0.47 0.61 115.11 123.31 2dn4 h GLN 11 Ca 0.08 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 2dn4 h GLN 11 Cb 0.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2dn4 h GLN 11 CO -0.02 0.50 -0.27 0.28 -0.67 0.00 0.00 178.83 178.66 2dn4 h VAL 12 N 0.78 1.50 -0.37 -0.54 2.07 0.26 -0.63 116.25 119.32 2dn4 h VAL 12 Ca 0.50 -1.84 0.07 0.00 0.82 0.00 0.00 66.70 66.25 2dn4 h VAL 12 Cb 0.66 2.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 2dn4 h VAL 12 CO -0.33 0.51 -0.07 -0.33 0.02 0.00 0.00 177.57 177.37 2dn4 h GLU 13 N -0.38 0.02 -0.38 1.57 5.08 0.15 0.96 114.58 121.61 2dn4 h GLU 13 Ca -0.03 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2dn4 h GLU 13 Cb 0.98 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2dn4 h GLU 13 CO 0.05 0.01 -0.24 0.93 -1.00 0.00 0.00 179.01 178.77 2dn4 h GLU 14 N 0.02 0.76 0.30 2.33 4.39 0.12 -2.88 114.58 119.62 2dn4 h GLU 14 Ca 0.18 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2dn4 h GLU 14 Cb 0.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2dn4 h GLU 14 CO -0.36 0.92 -0.15 1.25 -1.16 0.00 0.00 179.01 179.51 2dn4 h LEU 15 N 0.66 -0.35 -0.59 1.33 5.85 0.23 -0.28 115.31 122.16 2dn4 h LEU 15 Ca 0.09 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2dn4 h LEU 15 Cb 0.74 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.76 2dn4 h LEU 15 CO 0.06 -0.13 -0.51 -0.26 -0.34 0.00 0.00 178.44 177.26 2dn4 h PHE 16 N -0.55 -1.54 -0.36 1.25 -1.00 0.96 0.65 116.94 116.35 2dn4 h PHE 16 Ca -0.04 0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.87 2dn4 h PHE 16 Cb 0.41 0.75 -0.04 0.00 3.61 0.00 0.00 35.95 40.68 2dn4 h PHE 16 CO -0.02 -0.44 0.14 0.93 -1.61 0.00 0.00 178.31 177.30 2dn4 h GLU 17 N -0.26 0.28 -0.25 1.51 3.07 -1.47 -2.32 114.58 115.16 2dn4 h GLU 17 Ca 0.14 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2dn4 h GLU 17 Cb 0.55 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.35 2dn4 h GLU 17 CO -0.70 0.19 -0.39 0.00 -1.40 0.00 0.00 179.01 176.70 2dn4 h ARG 18 N 0.29 -0.30 -0.58 2.33 2.47 0.87 1.25 114.38 120.71 2dn4 h ARG 18 Ca 0.16 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.99 2dn4 h ARG 18 Cb 0.12 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 28.40 2dn4 h ARG 18 CO -0.15 -0.20 -0.41 0.87 0.56 0.00 0.00 179.97 180.64 2dn4 h LYS 19 N -0.31 -0.20 0.07 0.04 1.79 -0.77 0.73 116.57 117.92 2dn4 h LYS 19 Ca 0.05 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2dn4 h LYS 19 Cb 0.43 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 2dn4 h LYS 19 CO -0.40 -0.14 -0.27 -0.92 -1.08 0.00 0.00 179.45 176.64 2dn4 h TYR 20 N -0.21 -0.73 -0.96 -1.35 3.20 -0.67 0.91 116.97 117.16 2dn4 h TYR 20 Ca 0.19 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.25 2dn4 h TYR 20 Cb 0.56 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 39.05 2dn4 h TYR 20 CO -0.69 -0.37 0.56 0.00 -1.64 0.00 0.00 178.16 176.03 2dn4 h ALA 21 N 0.30 1.53 -0.66 1.82 0.00 0.31 0.30 119.26 122.86 2dn4 h ALA 21 Ca 0.04 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2dn4 h ALA 21 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2dn4 h ALA 21 CO -0.19 -0.02 0.20 1.96 0.00 0.00 0.00 179.25 181.21 2dn4 h GLN 22 N 0.76 1.00 0.00 0.00 1.08 0.16 1.96 115.11 120.07 2dn4 h GLN 22 Ca 0.53 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 2dn4 h GLN 22 Cb 0.76 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2dn4 h GLN 22 CO -0.36 0.86 -0.11 0.00 -0.95 0.00 0.00 178.83 178.27 2dn4 h ALA 23 N 1.25 1.80 -0.28 3.87 0.00 0.20 -0.54 119.26 125.56 2dn4 h ALA 23 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dn4 h ALA 23 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dn4 h ALA 23 CO -0.01 0.14 0.00 0.44 0.00 0.00 0.00 179.25 179.82 2dn4 n ILE 24 N -4.39 0.60 -3.52 0.00 -5.35 -0.58 -4.99 119.36 101.13 2dn4 n ILE 24 Ca -0.03 -0.80 -0.25 0.00 -0.27 0.00 0.00 62.75 61.41 2dn4 n ILE 24 Cb 0.19 0.82 0.05 0.00 -1.74 0.00 0.00 39.64 38.95 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 0.81 -1.53 -4.26 6.28 4.76 0.54 -4.97 118.16 119.79 2dn4 n LYS 25 Ca 0.12 0.65 -0.34 0.00 -2.87 0.00 0.00 58.31 55.87 2dn4 n LYS 25 Cb 0.43 -4.67 -0.14 0.00 -1.84 0.00 0.00 35.03 28.81 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 -3.40 2.75 -0.35 7.82 0.00 0.51 -4.95 121.76 124.14 2dn4 s ALA 26 Ca 0.43 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2dn4 s ALA 26 Cb -0.12 -1.50 0.50 0.00 0.00 0.00 0.00 23.12 22.00 2dn4 s ALA 26 CO 0.82 -0.13 1.63 1.63 0.00 0.00 0.00 175.76 179.71 2dn4 n LYS 27 N 4.22 2.21 -4.17 0.00 5.02 -1.26 -4.48 118.16 119.70 2dn4 n LYS 27 Ca -0.18 -2.21 -0.12 0.00 -2.02 0.00 0.00 58.31 53.79 2dn4 n LYS 27 Cb 0.52 -1.89 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dn4 s GLY 28 N -0.66 1.31 -0.22 0.72 0.00 -1.26 -5.12 107.32 102.09 2dn4 s GLY 28 Ca 0.41 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 2dn4 s GLY 28 CO 0.09 -1.27 1.30 2.56 0.00 0.00 0.00 173.10 175.78 2dn4 s PRO 29 N -4.11 4.08 0.33 2.90 0.04 -1.26 -4.92 135.00 132.06 2dn4 s PRO 29 Ca 0.36 1.50 0.09 0.00 0.04 0.00 0.00 61.00 62.99 2dn4 s PRO 29 Cb 0.05 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2dn4 s PRO 29 CO 0.12 -0.91 0.10 0.14 0.04 0.00 0.00 177.00 176.49 2dn4 s VAL 30 N 3.96 3.01 -0.09 -0.36 -7.23 -1.26 -5.13 120.40 113.30 2dn4 s VAL 30 Ca 0.57 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2dn4 s VAL 30 Cb -0.20 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2dn4 s VAL 30 CO 0.19 -0.21 0.08 -0.89 -0.31 0.00 0.00 175.10 173.95 2dn4 s THR 31 N -2.43 4.90 -0.23 5.32 2.01 -1.26 -4.86 115.64 119.10 2dn4 s THR 31 Ca 0.36 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 2dn4 s THR 31 Cb -0.03 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2dn4 s THR 31 CO 0.22 0.57 0.43 -0.63 -0.69 0.00 0.00 174.62 174.51 2dn4 s ILE 32 N -1.00 5.16 -0.57 1.82 1.01 -1.26 -5.02 121.20 121.34 2dn4 s ILE 32 Ca 0.16 0.74 -0.28 0.00 0.00 0.00 0.00 60.65 61.27 2dn4 s ILE 32 Cb -0.12 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2dn4 s ILE 32 CO 0.05 0.19 1.50 -2.16 0.00 0.00 0.00 174.94 174.52 2dn4 s PRO 33 N 1.69 3.19 0.14 2.79 0.04 -1.26 -4.85 135.00 136.75 2dn4 s PRO 33 Ca 0.19 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 2dn4 s PRO 33 Cb -0.15 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 2dn4 s PRO 33 CO 0.09 -2.07 1.34 1.88 0.04 0.00 0.00 177.00 178.28 2dn4 h TYR 34 N 11.72 0.51 0.11 0.56 -1.99 -1.99 -2.99 116.97 122.91 2dn4 h TYR 34 Ca -0.27 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.18 2dn4 h TYR 34 Cb 1.11 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.78 2dn4 h TYR 34 CO 1.04 1.08 -0.05 -1.00 -0.00 0.00 0.00 178.16 179.22 2dn4 h PRO 35 N 0.20 -0.15 -1.00 4.88 0.13 -1.99 -2.49 132.00 131.58 2dn4 h PRO 35 Ca -0.06 0.01 0.25 0.00 -0.87 0.00 0.00 66.00 65.32 2dn4 h PRO 35 Cb 1.52 0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.50 2dn4 h PRO 35 CO 0.15 -0.10 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.68 2dn4 h LEU 36 N -0.48 -0.65 -0.15 1.56 3.38 -1.95 0.94 115.31 117.96 2dn4 h LEU 36 Ca -0.02 0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2dn4 h LEU 36 Cb 0.12 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2dn4 h LEU 36 CO 0.03 -0.35 0.02 -0.26 0.09 0.00 0.00 178.44 177.96 2dn4 h PHE 37 N 0.00 0.02 -0.75 1.13 -1.00 -1.63 0.85 116.94 115.56 2dn4 h PHE 37 Ca 0.56 0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.45 2dn4 h PHE 37 Cb 1.06 0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.56 2dn4 h PHE 37 CO -0.60 0.00 0.39 1.96 -1.61 0.00 0.00 178.31 178.45 2dn4 h GLN 38 N 0.07 0.63 -0.06 1.51 1.08 0.13 0.79 115.11 119.26 2dn4 h GLN 38 Ca 0.07 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 2dn4 h GLN 38 Cb 0.07 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 2dn4 h GLN 38 CO -0.10 0.42 -0.70 1.03 -0.95 0.00 0.00 178.83 178.53 2dn4 h SER 39 N 0.65 0.33 -2.17 1.46 0.87 -0.30 -3.33 113.55 111.07 2dn4 h SER 39 Ca 0.37 -0.22 -0.59 0.00 -1.23 0.00 0.00 61.79 60.13 2dn4 h SER 39 Cb 0.39 -0.10 -0.41 0.00 -0.44 0.00 0.00 62.40 61.84 2dn4 h SER 39 CO -0.27 0.93 -0.70 1.41 -0.53 0.00 0.00 176.83 177.67 2dn4 n HIS 40 N -3.81 2.97 1.13 2.24 8.25 0.29 -4.82 115.22 121.46 2dn4 n HIS 40 Ca -0.03 -4.03 0.14 0.00 -0.26 0.00 0.00 57.72 53.54 2dn4 n HIS 40 Cb 0.69 -0.51 0.61 0.00 1.12 0.00 0.00 29.99 31.90 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 0.73 0.00 0.98 1.59 0.24 0.26 -0.60 118.33 121.52 2dn4 n VAL 41 Ca 0.29 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.69 2dn4 n VAL 41 Cb 0.44 -0.39 0.09 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.41 0.01 -0.05 7.34 1.02 -1.26 -4.35 120.64 121.95 2dn4 n GLU 42 Ca 0.09 -0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 2dn4 n GLU 42 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.52 2.24 -4.23 1.62 8.00 -1.11 -4.97 116.55 116.57 2dn4 n ASP 43 Ca 0.05 0.02 -0.34 0.00 0.71 0.00 0.00 54.79 55.23 2dn4 n ASP 43 Cb 0.34 -0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 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 -5.94 2.47 -0.01 0.64 1.43 0.23 -0.60 118.68 116.91 2dn4 s LEU 44 Ca -0.13 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.18 2dn4 s LEU 44 Cb 0.04 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.76 2dn4 s LEU 44 CO 0.19 0.03 0.73 -0.72 0.23 0.00 0.00 176.35 176.82 2dn4 s TYR 45 N 1.14 -0.54 -0.14 0.29 -0.85 -1.16 -4.11 117.35 111.98 2dn4 s TYR 45 Ca 0.01 0.72 -0.12 0.00 -0.52 0.00 0.00 57.07 57.16 2dn4 s TYR 45 Cb -0.14 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 2dn4 s TYR 45 CO -0.05 -0.62 0.25 0.08 -1.52 0.00 0.00 175.55 173.68 2dn4 s VAL 46 N -2.11 5.33 0.50 -3.49 1.01 -1.26 -1.99 120.40 118.39 2dn4 s VAL 46 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2dn4 s VAL 46 Cb -0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2dn4 s VAL 46 CO 0.00 0.47 0.01 -0.62 0.00 0.00 0.00 175.10 174.96 2dn4 n GLU 47 N 2.98 0.77 -0.91 2.72 1.02 0.42 -4.71 120.64 122.93 2dn4 n GLU 47 Ca -0.15 -3.67 0.00 0.00 -0.02 0.00 0.00 57.16 53.32 2dn4 n GLU 47 Cb 0.53 1.03 0.00 0.00 -0.02 0.00 0.00 31.44 32.98 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 -1.02 0.69 3.77 0.62 0.00 -1.25 0.40 105.19 108.39 2dn4 n GLY 48 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 3.55 0.00 0.99 1.43 -1.26 -2.92 118.68 120.46 2dn4 s LEU 49 Ca 0.00 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 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 -1.53 0.92 -0.81 0.23 0.00 0.00 176.35 175.17 2dn4 n PRO 50 N -1.94 -1.78 -2.88 1.29 -0.04 -1.26 -5.00 135.00 123.38 2dn4 n PRO 50 Ca 0.11 -1.45 -0.40 0.00 -0.04 0.00 0.00 63.50 61.73 2dn4 n PRO 50 Cb 0.51 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 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 -5.05 4.65 -0.89 0.54 2.12 -1.26 -3.56 118.70 115.25 2dn4 s GLU 51 Ca 0.56 1.27 0.00 0.00 0.36 0.00 0.00 54.97 57.16 2dn4 s GLU 51 Cb -0.03 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2dn4 s GLU 51 CO 0.41 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.99 2dn4 n GLY 52 N 1.82 -0.04 2.85 -1.50 0.00 -1.26 -4.99 105.19 102.07 2dn4 n GLY 52 Ca -0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.51 -0.50 0.00 -0.61 1.01 -1.23 -5.09 121.20 112.26 2dn4 s ILE 53 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2dn4 s ILE 53 Cb 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2dn4 s ILE 53 CO 0.00 -0.41 0.00 -0.81 0.00 0.00 0.00 174.94 173.72 2dn4 n PRO 54 N 4.83 0.71 -3.62 2.79 -0.04 -1.26 -4.30 135.00 134.10 2dn4 n PRO 54 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 2dn4 n PRO 54 Cb 0.48 0.00 -0.07 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 -0.20 3.57 0.15 0.54 5.36 -1.26 -5.00 117.98 121.14 2dn4 s PHE 55 Ca 0.00 -2.63 -0.01 0.00 -0.96 0.00 0.00 56.93 53.32 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 -0.85 0.08 1.03 -1.46 0.00 0.00 175.22 174.02 2dn4 s ARG 56 N -0.28 0.99 -0.34 10.12 1.81 -1.26 -5.02 118.95 124.97 2dn4 s ARG 56 Ca 0.19 -1.47 -0.32 0.00 -1.72 0.00 0.00 55.73 52.41 2dn4 s ARG 56 Cb -0.16 0.25 -0.14 0.00 -0.45 0.00 0.00 34.95 34.46 2dn4 s ARG 56 CO -0.06 -0.29 1.08 -2.13 -0.68 0.00 0.00 175.30 173.22 2dn4 n ARG 57 N -0.13 0.00 0.00 3.54 0.63 -1.26 -4.72 116.66 114.71 2dn4 n ARG 57 Ca -0.04 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.00 2dn4 n ARG 57 Cb 0.64 -1.02 0.62 0.00 0.45 0.00 0.00 32.46 33.15 2dn4 n ARG 57 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2dn4 n PRO 58 N 2.70 0.75 -0.15 -0.14 -0.04 -1.26 -2.14 135.00 134.72 2dn4 n PRO 58 Ca 0.21 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 2dn4 n PRO 58 Cb -0.04 -1.44 0.25 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.93 0.00 3.54 3.41 -1.26 -3.89 113.62 117.41 2dn4 n SER 59 Ca 0.16 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2dn4 n SER 59 Cb 0.07 -0.19 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 1.07 -0.16 0.00 0.00 175.04 175.95 2dn4 n THR 60 N 1.16 0.00 -1.79 6.66 5.66 -0.91 -5.05 114.28 120.01 2dn4 n THR 60 Ca 0.18 -0.47 -0.31 0.00 -3.05 0.00 0.00 64.05 60.41 2dn4 n THR 60 Cb 0.53 1.03 0.03 0.00 -1.55 0.00 0.00 70.33 70.36 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 -0.56 3.43 0.73 1.09 2.02 -1.24 -5.05 117.35 117.77 2dn4 s TYR 61 Ca 0.00 1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.86 2dn4 s TYR 61 Cb 0.00 -2.83 0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2dn4 s TYR 61 CO 0.00 -0.94 1.08 0.20 -1.57 0.00 0.00 175.55 174.32 2dn4 s GLY 62 N -4.11 1.64 0.20 0.71 0.00 -1.26 -4.83 107.32 99.67 2dn4 s GLY 62 Ca 0.56 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 45.00 2dn4 s GLY 62 CO 0.54 0.19 1.83 -2.22 0.00 0.00 0.00 173.10 173.44 2dn4 h ILE 63 N -0.80 1.05 -0.02 0.90 2.04 -1.99 0.11 117.51 118.80 2dn4 h ILE 63 Ca -0.45 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 64.96 2dn4 h ILE 63 Cb 1.24 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2dn4 h ILE 63 CO 0.60 0.14 -0.81 1.55 0.00 0.00 0.00 178.15 179.63 2dn4 h PRO 64 N 0.76 0.24 -0.64 2.37 0.13 -2.00 -2.64 132.00 130.22 2dn4 h PRO 64 Ca 0.27 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2dn4 h PRO 64 Cb 0.07 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 2dn4 h PRO 64 CO -0.13 0.93 0.28 0.00 -0.23 0.00 0.00 178.00 178.85 2dn4 h ARG 65 N 0.15 0.94 0.38 0.86 3.08 -1.73 -2.65 114.38 115.40 2dn4 h ARG 65 Ca -0.04 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2dn4 h ARG 65 Cb 1.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2dn4 h ARG 65 CO 0.13 0.77 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.55 2dn4 h LEU 66 N 0.89 -0.43 -0.90 3.04 3.38 -0.80 -2.70 115.31 117.79 2dn4 h LEU 66 Ca 0.22 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2dn4 h LEU 66 Cb 0.16 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 2dn4 h LEU 66 CO -0.02 -0.11 -0.40 -0.62 0.09 0.00 0.00 178.44 177.38 2dn4 n GLU 67 N -5.20 -0.26 0.03 1.13 1.02 -1.00 0.39 120.64 116.75 2dn4 n GLU 67 Ca -0.10 1.38 -0.11 0.00 -0.02 0.00 0.00 57.16 58.31 2dn4 n GLU 67 Cb 0.27 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.61 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 -0.36 -1.16 3.49 3.08 -1.44 0.30 114.38 118.30 2dn4 h ARG 68 Ca 0.27 0.02 0.33 0.00 0.07 0.00 0.00 59.98 60.67 2dn4 h ARG 68 Cb 0.49 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 2dn4 h ARG 68 CO -0.88 -0.24 0.78 0.82 -1.07 0.00 0.00 179.97 179.38 2dn4 h ILE 69 N -0.37 0.41 0.06 2.04 2.04 0.28 1.74 117.51 123.71 2dn4 h ILE 69 Ca 0.08 -0.07 -0.25 0.00 1.00 0.00 0.00 64.86 65.62 2dn4 h ILE 69 Cb 0.49 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2dn4 h ILE 69 CO -0.28 0.04 -1.08 -0.07 0.00 0.00 0.00 178.15 176.76 2dn4 h LEU 70 N 0.21 0.49 -0.83 1.44 3.38 0.12 -0.94 115.31 119.18 2dn4 h LEU 70 Ca 0.63 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2dn4 h LEU 70 Cb 1.99 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 2dn4 h LEU 70 CO -0.21 1.29 -0.09 -0.07 0.09 0.00 0.00 178.44 179.45 2dn4 h LEU 71 N 0.16 0.00 -0.84 1.67 3.38 0.54 -2.40 115.31 117.83 2dn4 h LEU 71 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2dn4 h LEU 71 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2dn4 h LEU 71 CO 0.18 0.09 -0.44 0.00 0.09 0.00 0.00 178.44 178.35 2dn4 n ALA 72 N -2.13 3.49 -0.29 1.53 0.00 0.42 -4.37 120.51 119.15 2dn4 n ALA 72 Ca 0.02 -0.58 0.05 0.00 0.00 0.00 0.00 53.44 52.93 2dn4 n ALA 72 Cb 0.43 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 19.15 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 2.04 0.03 -1.08 0.00 2.10 -0.62 2.12 116.57 121.15 2dn4 h LYS 73 Ca 0.00 -0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.95 2dn4 h LYS 73 Cb 0.69 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 31.94 2dn4 h LYS 73 CO 0.00 0.02 0.74 0.93 -2.00 0.00 0.00 179.45 179.14 2dn4 h GLU 74 N 0.03 0.18 0.07 0.07 5.08 -1.78 0.30 114.58 118.54 2dn4 h GLU 74 Ca 0.44 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.42 2dn4 h GLU 74 Cb 0.74 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2dn4 h GLU 74 CO -0.83 0.12 -2.10 0.54 -1.00 0.00 0.00 179.01 175.74 2dn4 n ARG 75 N -4.41 0.71 -1.29 2.33 1.74 0.61 -4.96 116.66 111.40 2dn4 n ARG 75 Ca 0.25 0.22 -0.44 0.00 -0.77 0.00 0.00 57.85 57.11 2dn4 n ARG 75 Cb 1.04 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 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 -3.34 1.65 -3.60 0.55 5.41 0.44 -3.95 119.36 116.52 2dn4 n ILE 76 Ca -0.34 -0.47 -0.13 0.00 1.00 0.00 0.00 62.75 62.82 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 -0.93 0.77 -0.33 0.38 3.52 0.16 -4.81 118.95 117.71 2dn4 s ARG 77 Ca 0.59 0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 56.70 2dn4 s ARG 77 Cb -0.82 0.37 0.03 0.00 -1.56 0.00 0.00 34.95 32.96 2dn4 s ARG 77 CO 0.53 -0.16 0.11 -0.06 -0.81 0.00 0.00 175.30 174.92 2dn4 s PHE 78 N -0.27 3.22 -0.46 5.12 0.40 -1.26 0.16 117.98 124.88 2dn4 s PHE 78 Ca -0.02 -1.18 -0.21 0.00 -0.60 0.00 0.00 56.93 54.92 2dn4 s PHE 78 Cb -0.03 -2.30 0.03 0.00 0.51 0.00 0.00 43.02 41.23 2dn4 s PHE 78 CO 0.01 -0.66 0.68 0.08 0.70 0.00 0.00 175.22 176.03 2dn4 s VAL 79 N 1.46 4.78 -1.02 -0.44 1.01 -0.84 -4.79 120.40 120.56 2dn4 s VAL 79 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2dn4 s VAL 79 Cb -0.19 -4.27 0.26 0.00 0.00 0.00 0.00 36.38 32.19 2dn4 s VAL 79 CO 0.03 -0.70 0.99 -0.63 0.00 0.00 0.00 175.10 174.80 2dn4 s ILE 80 N 2.92 5.71 0.05 2.22 -1.09 -1.26 -3.00 121.20 126.75 2dn4 s ILE 80 Ca 0.22 -3.27 -0.33 0.00 -2.23 0.00 0.00 60.65 55.05 2dn4 s ILE 80 Cb -0.15 -4.46 -0.18 0.00 -1.58 0.00 0.00 42.46 36.09 2dn4 s ILE 80 CO 0.18 -1.14 1.44 0.11 -1.23 0.00 0.00 174.94 174.30 2dn4 h LYS 81 N 6.84 -1.14 -4.86 2.79 1.79 -1.23 -3.40 116.57 117.36 2dn4 h LYS 81 Ca 0.16 0.08 -0.65 0.00 -2.18 0.00 0.00 60.65 58.05 2dn4 h LYS 81 Cb 0.90 0.26 -0.19 0.00 -1.58 0.00 0.00 32.23 31.62 2dn4 h LYS 81 CO 0.94 -0.76 -0.54 0.15 -1.08 0.00 0.00 179.45 178.16 2dn4 s LYS 82 N -5.51 3.73 -0.14 3.15 -0.14 -1.25 -4.97 119.74 114.61 2dn4 s LYS 82 Ca -0.17 -0.46 -0.17 0.00 -1.36 0.00 0.00 55.97 53.80 2dn4 s LYS 82 Cb 0.02 -3.61 -0.15 0.00 -1.68 0.00 0.00 37.83 32.41 2dn4 s LYS 82 CO 0.52 -0.26 0.34 0.45 -0.76 0.00 0.00 175.35 175.64 2dn4 h HIS 83 N 8.37 0.00 -1.03 3.18 3.86 -1.97 -3.34 115.15 124.22 2dn4 h HIS 83 Ca -0.35 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.14 2dn4 h HIS 83 Cb 1.18 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.52 2dn4 h HIS 83 CO 0.71 0.70 0.62 1.05 0.86 0.00 0.00 177.93 181.87 2dn4 h GLU 84 N -1.00 0.46 -0.98 2.45 4.11 -1.93 0.66 114.58 118.35 2dn4 h GLU 84 Ca -0.07 -0.03 0.23 0.00 0.07 0.00 0.00 59.36 59.57 2dn4 h GLU 84 Cb 0.73 -0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 2dn4 h GLU 84 CO -0.04 0.30 0.56 -0.07 0.07 0.00 0.00 179.01 179.83 2dn4 h LEU 85 N 0.47 0.62 -1.20 3.06 3.38 -1.99 0.96 115.31 120.61 2dn4 h LEU 85 Ca 0.66 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.88 2dn4 h LEU 85 Cb 1.43 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 42.16 2dn4 h LEU 85 CO -0.46 0.10 0.58 -0.07 0.09 0.00 0.00 178.44 178.69 2dn4 h LEU 86 N 0.56 0.78 -9.48 1.67 3.38 0.19 -3.39 115.31 109.02 2dn4 h LEU 86 Ca 0.62 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 58.09 2dn4 h LEU 86 Cb 1.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dn4 h LEU 86 CO -0.48 0.44 0.53 0.20 0.09 0.00 0.00 178.44 179.22 2dn4 s ASN 87 N -5.85 7.12 -0.30 -0.43 0.01 0.33 -4.98 114.94 110.84 2dn4 s ASN 87 Ca -0.11 1.98 -0.09 0.00 -0.71 0.00 0.00 52.86 53.93 2dn4 s ASN 87 Cb 0.21 -2.58 0.18 0.00 0.41 0.00 0.00 41.25 39.48 2dn4 s ASN 87 CO 0.79 -0.43 0.95 -0.55 -1.51 0.00 0.00 177.10 176.35 2dn4 s SER 88 N 1.00 -0.66 -1.31 -1.22 0.15 -1.26 -4.97 113.70 105.43 2dn4 s SER 88 Ca 0.57 0.23 -0.10 0.00 0.70 0.00 0.00 55.95 57.35 2dn4 s SER 88 Cb -0.28 1.48 0.01 0.00 -1.71 0.00 0.00 66.02 65.52 2dn4 s SER 88 CO 0.29 -0.12 0.19 1.07 1.20 0.00 0.00 173.24 175.88 2dn4 n THR 89 N 5.32 -1.37 -0.57 6.45 5.66 -1.26 -4.66 114.28 123.86 2dn4 n THR 89 Ca 0.01 -0.48 0.46 0.00 -3.05 0.00 0.00 64.05 61.00 2dn4 n THR 89 Cb 0.55 -1.25 0.72 0.00 -1.55 0.00 0.00 70.33 68.80 2dn4 n THR 89 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2dn4 h ARG 90 N -1.73 0.00 -4.38 1.09 1.12 -1.95 -3.18 114.38 105.36 2dn4 h ARG 90 Ca -0.62 0.00 -0.72 0.00 -1.11 0.00 0.00 59.98 57.53 2dn4 h ARG 90 Cb 1.27 0.00 -0.27 0.00 -0.01 0.00 0.00 29.97 30.97 2dn4 h ARG 90 CO 0.59 0.00 -0.42 -2.00 -3.11 0.00 0.00 179.97 175.03 2dn4 s GLU 91 N -4.75 2.69 -0.05 0.20 2.12 -1.26 -5.04 118.70 112.60 2dn4 s GLU 91 Ca -0.04 -1.49 -0.09 0.00 0.36 0.00 0.00 54.97 53.70 2dn4 s GLU 91 Cb 0.23 -3.90 0.02 0.00 0.26 0.00 0.00 34.13 30.74 2dn4 s GLU 91 CO 0.78 -1.02 0.23 0.16 -0.54 0.00 0.00 175.26 174.87 2dn4 s ASP 92 N 2.37 -0.16 -0.48 -1.70 1.47 -1.20 -5.11 116.67 111.86 2dn4 s ASP 92 Ca 0.04 0.21 0.07 0.00 1.18 0.00 0.00 52.55 54.04 2dn4 s ASP 92 Cb -0.24 0.37 0.19 0.00 -0.34 0.00 0.00 42.92 42.90 2dn4 s ASP 92 CO 0.03 -0.24 0.68 -0.22 0.68 0.00 0.00 175.17 176.10 2dn4 s LEU 93 N -0.60 -1.42 -0.14 2.11 0.20 -1.26 -5.13 118.68 112.44 2dn4 s LEU 93 Ca -0.07 -1.42 -0.07 0.00 0.69 0.00 0.00 54.13 53.25 2dn4 s LEU 93 Cb -0.04 1.87 0.05 0.00 -0.43 0.00 0.00 46.19 47.64 2dn4 s LEU 93 CO 0.01 -0.10 0.33 -0.55 -0.29 0.00 0.00 176.35 175.76 2dn4 s SER 94 N 1.21 -0.38 -0.50 3.68 0.15 -1.26 -5.10 113.70 111.51 2dn4 s SER 94 Ca 0.25 0.72 -0.39 0.00 0.70 0.00 0.00 55.95 57.24 2dn4 s SER 94 Cb -0.02 0.62 -0.16 0.00 -1.71 0.00 0.00 66.02 64.76 2dn4 s SER 94 CO -0.06 -0.18 2.23 0.61 1.20 0.00 0.00 173.24 177.04 2dn4 n GLY 95 N 4.31 0.06 3.61 9.45 0.00 -1.26 -4.82 105.19 116.54 2dn4 n GLY 95 Ca -0.23 1.04 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 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 6.52 3.69 -0.46 1.61 0.04 -1.26 -4.89 135.00 140.24 2dn4 s PRO 96 Ca 1.17 1.07 0.05 0.00 0.04 0.00 0.00 61.00 63.33 2dn4 s PRO 96 Cb -1.18 -3.98 0.19 0.00 0.04 0.00 0.00 34.50 29.57 2dn4 s PRO 96 CO 0.56 -1.41 0.76 -1.12 0.04 0.00 0.00 177.00 175.83 2dn4 s SER 97 N 3.59 -1.30 0.18 6.66 0.01 -1.26 -5.15 113.70 116.42 2dn4 s SER 97 Ca 0.60 -1.27 0.07 0.00 1.31 0.00 0.00 55.95 56.66 2dn4 s SER 97 Cb -0.15 1.69 -0.04 0.00 0.21 0.00 0.00 66.02 67.73 2dn4 s SER 97 CO 0.29 -0.08 0.06 -0.94 0.41 0.00 0.00 173.24 172.98 2dn4 s SER 98 N 1.20 5.06 0.00 2.44 1.04 -1.26 -5.30 113.70 116.87 2dn4 s SER 98 Ca 0.25 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dn4 s SER 98 Cb 0.00 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2dn4 s SER 98 CO -0.07 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.83