#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 0.57 -0.45 1.61 0.01 -1.26 -5.12 113.70 109.06 2dn4 s SER 2 Ca 0.00 -1.22 0.05 0.00 1.31 0.00 0.00 55.95 56.09 2dn4 s SER 2 Cb 0.00 0.25 0.18 0.00 0.21 0.00 0.00 66.02 66.66 2dn4 s SER 2 CO 0.00 -0.69 0.52 -0.44 0.41 0.00 0.00 173.24 173.03 2dn4 s SER 3 N -3.10 0.07 0.00 2.44 0.01 -1.26 -5.12 113.70 106.75 2dn4 s SER 3 Ca 0.25 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 55.28 2dn4 s SER 3 Cb 0.07 0.76 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2dn4 s SER 3 CO 0.03 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2dn4 n GLY 4 N 3.12 4.42 3.74 3.44 0.00 -1.26 -5.10 105.19 113.55 2dn4 n GLY 4 Ca 0.22 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 2dn4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn4 s SER 5 N 0.00 7.45 0.00 1.61 0.01 -1.26 -4.96 113.70 116.56 2dn4 s SER 5 Ca 0.00 1.96 -0.06 0.00 1.31 0.00 0.00 55.95 59.16 2dn4 s SER 5 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2dn4 s SER 5 CO 0.00 -0.06 -0.11 -1.20 0.41 0.00 0.00 173.24 172.28 2dn4 n SER 6 N 2.22 1.26 0.00 2.44 7.64 -1.26 -5.12 113.62 120.79 2dn4 n SER 6 Ca 0.01 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2dn4 n SER 6 Cb 0.47 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 2.78 2.39 0.09 0.23 0.00 -1.26 -4.99 105.19 104.43 2dn4 n GLY 7 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.41 -0.90 0.99 3.38 -1.98 0.84 115.31 117.24 2dn4 h LEU 8 Ca 0.00 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2dn4 h LEU 8 Cb 0.00 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 40.79 2dn4 h LEU 8 CO 0.00 -0.06 -0.41 -1.14 0.09 0.00 0.00 178.44 176.92 2dn4 n ARG 9 N -3.36 -0.27 -0.10 1.13 0.63 -1.26 0.14 116.66 113.56 2dn4 n ARG 9 Ca -0.00 1.38 -0.06 0.00 -0.92 0.00 0.00 57.85 58.25 2dn4 n ARG 9 Cb 0.06 -2.04 0.02 0.00 0.45 0.00 0.00 32.46 30.95 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 0.17 0.05 -0.14 3.64 -1.38 1.35 116.57 120.27 2dn4 h LYS 10 Ca 0.26 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2dn4 h LYS 10 Cb 0.48 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 2dn4 h LYS 10 CO -0.88 0.11 -0.34 1.96 -2.27 0.00 0.00 179.45 178.03 2dn4 h GLN 11 N 0.18 -0.51 -0.59 1.90 4.20 0.81 0.17 115.11 121.27 2dn4 h GLN 11 Ca 0.17 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2dn4 h GLN 11 Cb 0.21 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2dn4 h GLN 11 CO -0.24 -0.34 0.28 0.28 -0.67 0.00 0.00 178.83 178.15 2dn4 h VAL 12 N -0.53 1.21 -0.17 -0.54 2.07 0.38 -0.48 116.25 118.19 2dn4 h VAL 12 Ca 0.05 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2dn4 h VAL 12 Cb 0.59 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2dn4 h VAL 12 CO -0.25 0.24 -0.42 -0.33 0.02 0.00 0.00 177.57 176.84 2dn4 h GLU 13 N 0.81 -0.45 -0.60 1.57 5.08 0.26 1.50 114.58 122.76 2dn4 h GLU 13 Ca 0.20 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2dn4 h GLU 13 Cb 0.12 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2dn4 h GLU 13 CO -0.03 -0.30 0.30 0.93 -1.00 0.00 0.00 179.01 178.91 2dn4 h GLU 14 N -0.46 0.83 0.50 2.33 4.39 -0.51 -2.42 114.58 119.24 2dn4 h GLU 14 Ca 0.09 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2dn4 h GLU 14 Cb 0.62 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2dn4 h GLU 14 CO -0.42 0.64 -0.24 1.25 -1.16 0.00 0.00 179.01 179.08 2dn4 h LEU 15 N 0.84 -0.57 -0.91 1.33 5.85 0.71 0.27 115.31 122.83 2dn4 h LEU 15 Ca 0.21 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.07 2dn4 h LEU 15 Cb 0.07 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.12 2dn4 h LEU 15 CO -0.03 -0.33 -0.43 0.49 -0.34 0.00 0.00 178.44 177.81 2dn4 n PHE 16 N -4.24 -0.15 -0.13 1.25 3.01 0.49 0.60 117.46 118.30 2dn4 n PHE 16 Ca -0.08 1.13 -0.09 0.00 1.01 0.00 0.00 57.45 59.42 2dn4 n PHE 16 Cb 0.26 -0.73 -0.01 0.00 -0.01 0.00 0.00 39.48 38.99 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 0.56 -0.11 -1.08 5.08 -1.46 -2.39 114.58 115.17 2dn4 h GLU 17 Ca 0.25 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2dn4 h GLU 17 Cb 0.48 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2dn4 h GLU 17 CO -0.89 0.50 -0.41 0.00 -1.00 0.00 0.00 179.01 177.21 2dn4 h ARG 18 N 0.48 -0.42 -0.43 2.33 3.08 0.39 1.23 114.38 121.04 2dn4 h ARG 18 Ca 0.13 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.28 2dn4 h ARG 18 Cb 0.14 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 2dn4 h ARG 18 CO -0.01 -0.28 -0.40 0.87 -1.07 0.00 0.00 179.97 179.08 2dn4 h LYS 19 N -0.44 -0.28 -0.36 0.04 1.79 -0.57 0.82 116.57 117.57 2dn4 h LYS 19 Ca 0.03 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 2dn4 h LYS 19 Cb 0.51 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 2dn4 h LYS 19 CO -0.34 -0.19 -0.03 -0.92 -1.08 0.00 0.00 179.45 176.90 2dn4 h TYR 20 N -0.29 -0.08 -0.93 -1.35 3.20 -0.82 0.18 116.97 116.88 2dn4 h TYR 20 Ca 0.16 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2dn4 h TYR 20 Cb 0.57 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 2dn4 h TYR 20 CO -0.61 -0.10 0.60 0.00 -1.64 0.00 0.00 178.16 176.41 2dn4 h ALA 21 N 1.33 1.26 -0.62 1.82 0.00 0.33 -1.42 119.26 121.96 2dn4 h ALA 21 Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2dn4 h ALA 21 Cb 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2dn4 h ALA 21 CO -0.32 0.43 0.39 1.96 0.00 0.00 0.00 179.25 181.71 2dn4 h GLN 22 N 1.13 0.76 -0.13 0.00 4.20 0.22 1.71 115.11 123.01 2dn4 h GLN 22 Ca 0.39 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.09 2dn4 h GLN 22 Cb 0.08 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2dn4 h GLN 22 CO -0.14 0.50 0.13 0.00 -0.67 0.00 0.00 178.83 178.65 2dn4 h ALA 23 N 1.25 1.80 -0.17 3.87 0.00 0.05 0.28 119.26 126.35 2dn4 h ALA 23 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dn4 h ALA 23 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2dn4 h ALA 23 CO -0.08 -0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.42 2dn4 n ILE 24 N -3.96 1.68 -4.04 0.00 -5.35 0.03 -4.98 119.36 102.73 2dn4 n ILE 24 Ca 0.00 -1.63 -0.39 0.00 -0.27 0.00 0.00 62.75 60.45 2dn4 n ILE 24 Cb 0.24 0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.53 -0.82 -3.74 6.28 5.02 0.47 -4.90 118.16 119.94 2dn4 n LYS 25 Ca 0.14 0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 56.24 2dn4 n LYS 25 Cb 0.61 -3.18 -0.10 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 -3.72 3.52 -0.38 7.82 0.00 0.47 -4.95 121.76 124.51 2dn4 s ALA 26 Ca 0.35 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2dn4 s ALA 26 Cb -0.18 -2.22 0.65 0.00 0.00 0.00 0.00 23.12 21.37 2dn4 s ALA 26 CO 0.95 -0.17 1.79 1.63 0.00 0.00 0.00 175.76 179.97 2dn4 n LYS 27 N 4.24 2.79 -4.16 0.00 5.02 -1.26 -4.51 118.16 120.29 2dn4 n LYS 27 Ca -0.15 -2.80 -0.12 0.00 -2.02 0.00 0.00 58.31 53.22 2dn4 n LYS 27 Cb 0.52 -2.12 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 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 -1.00 1.28 -0.24 0.72 0.00 -1.26 -5.12 107.32 101.69 2dn4 s GLY 28 Ca 0.52 -1.53 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 2dn4 s GLY 28 CO 0.11 -1.22 1.32 2.56 0.00 0.00 0.00 173.10 175.87 2dn4 s PRO 29 N -4.06 4.02 0.30 2.90 0.04 -1.26 -4.94 135.00 132.00 2dn4 s PRO 29 Ca 0.35 1.44 0.09 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 0.10 0.14 0.04 0.00 0.00 177.00 176.41 2dn4 s VAL 30 N 4.14 3.37 -0.04 -0.36 -7.23 -1.26 -5.13 120.40 113.89 2dn4 s VAL 30 Ca 0.57 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 2dn4 s VAL 30 Cb -0.19 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 2dn4 s VAL 30 CO 0.21 -0.28 0.08 -0.89 -0.31 0.00 0.00 175.10 173.91 2dn4 s THR 31 N -2.35 4.78 -0.37 5.32 2.01 -1.26 -4.84 115.64 118.94 2dn4 s THR 31 Ca 0.35 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 2dn4 s THR 31 Cb -0.05 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 2dn4 s THR 31 CO 0.22 0.44 0.26 -0.63 -0.69 0.00 0.00 174.62 174.22 2dn4 s ILE 32 N -1.12 5.23 -0.30 1.82 1.01 -1.26 -5.04 121.20 121.54 2dn4 s ILE 32 Ca 0.20 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2dn4 s ILE 32 Cb -0.12 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 2dn4 s ILE 32 CO 0.10 -0.14 1.36 -2.16 0.00 0.00 0.00 174.94 174.10 2dn4 s PRO 33 N 1.70 3.86 0.17 2.79 0.04 -1.26 -4.89 135.00 137.40 2dn4 s PRO 33 Ca 0.05 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 2dn4 s PRO 33 Cb -0.18 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.48 2dn4 s PRO 33 CO 0.10 -1.20 1.42 1.88 0.04 0.00 0.00 177.00 179.24 2dn4 h TYR 34 N 9.66 0.64 0.23 0.56 0.05 -1.98 -2.78 116.97 123.34 2dn4 h TYR 34 Ca -0.27 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.22 2dn4 h TYR 34 Cb 1.11 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2dn4 h TYR 34 CO 0.90 1.04 -0.11 -1.00 -1.05 0.00 0.00 178.16 177.94 2dn4 h PRO 35 N 0.33 -0.29 -0.99 4.88 0.13 -1.97 0.47 132.00 134.55 2dn4 h PRO 35 Ca -0.03 0.02 0.30 0.00 -0.87 0.00 0.00 66.00 65.42 2dn4 h PRO 35 Cb 1.30 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 2dn4 h PRO 35 CO 0.13 -0.10 0.55 -0.07 -0.23 0.00 0.00 178.00 178.28 2dn4 h LEU 36 N -1.05 0.52 -0.16 1.56 3.38 -1.97 1.38 115.31 118.97 2dn4 h LEU 36 Ca -0.03 0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 2dn4 h LEU 36 Cb 0.33 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2dn4 h LEU 36 CO 0.05 -0.09 -0.94 -0.26 0.09 0.00 0.00 178.44 177.29 2dn4 h PHE 37 N 0.37 0.10 -0.02 1.13 -1.00 -1.55 -1.70 116.94 114.26 2dn4 h PHE 37 Ca 0.71 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 61.41 2dn4 h PHE 37 Cb 1.56 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 41.11 2dn4 h PHE 37 CO -0.02 0.97 -0.03 0.37 -1.61 0.00 0.00 178.31 177.99 2dn4 h GLN 38 N 0.03 0.06 0.00 1.51 5.75 0.37 -1.97 115.11 120.86 2dn4 h GLN 38 Ca -0.03 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 2dn4 h GLN 38 Cb 1.64 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.18 2dn4 h GLN 38 CO 0.13 0.54 -0.43 1.03 -2.65 0.00 0.00 178.83 177.45 2dn4 h SER 39 N -0.41 0.00 -2.66 -0.69 0.87 0.63 -3.31 113.55 107.98 2dn4 h SER 39 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.96 2dn4 h SER 39 Cb 0.52 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.07 2dn4 h SER 39 CO 0.01 0.43 -0.65 1.41 -0.53 0.00 0.00 176.83 177.49 2dn4 n HIS 40 N -4.01 2.74 0.60 2.24 8.25 -0.64 -4.83 115.22 119.56 2dn4 n HIS 40 Ca -0.02 -4.12 0.12 0.00 -0.26 0.00 0.00 57.72 53.44 2dn4 n HIS 40 Cb 0.45 -0.50 0.12 0.00 1.12 0.00 0.00 29.99 31.19 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 1.65 0.26 1.32 1.59 0.24 -0.75 -1.33 118.33 121.32 2dn4 n VAL 41 Ca 0.24 -0.25 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 2dn4 n VAL 41 Cb 0.39 0.02 0.59 0.00 -1.47 0.00 0.00 33.84 33.37 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 -2.02 0.53 0.06 7.34 1.02 -1.26 -4.34 120.64 121.97 2dn4 n GLU 42 Ca 0.03 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2dn4 n GLU 42 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.09 0.74 -4.56 1.62 9.92 -1.23 -4.97 116.55 116.99 2dn4 n ASP 43 Ca 0.13 0.17 -0.40 0.00 -0.53 0.00 0.00 54.79 54.17 2dn4 n ASP 43 Cb 0.29 -0.17 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 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 4.29 0.06 0.64 1.43 -0.44 -2.05 118.68 115.79 2dn4 s LEU 44 Ca 0.00 -0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 2dn4 s LEU 44 Cb 0.00 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2dn4 s LEU 44 CO 0.00 -0.19 0.66 -0.72 0.23 0.00 0.00 176.35 176.32 2dn4 s TYR 45 N 1.84 -0.57 -0.06 0.29 -0.85 -1.14 -4.03 117.35 112.83 2dn4 s TYR 45 Ca 0.09 0.64 -0.04 0.00 -0.52 0.00 0.00 57.07 57.23 2dn4 s TYR 45 Cb -0.17 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 2dn4 s TYR 45 CO 0.11 -0.73 0.14 0.08 -1.52 0.00 0.00 175.55 173.63 2dn4 s VAL 46 N -2.66 5.34 0.42 -3.49 1.01 -1.26 -1.74 120.40 118.01 2dn4 s VAL 46 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2dn4 s VAL 46 Cb -0.01 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2dn4 s VAL 46 CO -0.04 0.48 0.16 -0.62 0.00 0.00 0.00 175.10 175.09 2dn4 n GLU 47 N 1.51 0.55 -0.91 2.72 1.02 0.43 -4.79 120.64 121.16 2dn4 n GLU 47 Ca -0.16 -3.60 0.00 0.00 -0.02 0.00 0.00 57.16 53.39 2dn4 n GLU 47 Cb 0.54 2.04 0.00 0.00 -0.02 0.00 0.00 31.44 33.99 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 -0.93 0.72 3.78 0.62 0.00 -1.26 0.90 105.19 109.02 2dn4 n GLY 48 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 1.06 0.99 1.43 -1.26 -2.90 118.68 121.56 2dn4 s LEU 49 Ca 0.00 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 54.97 2dn4 s LEU 49 Cb 0.00 -4.56 0.23 0.00 0.03 0.00 0.00 46.19 41.89 2dn4 s LEU 49 CO 0.00 -1.39 1.21 -2.16 0.23 0.00 0.00 176.35 174.24 2dn4 s PRO 50 N -3.76 -0.14 0.29 1.29 0.04 -1.26 -5.00 135.00 126.45 2dn4 s PRO 50 Ca 0.69 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 2dn4 s PRO 50 Cb -0.21 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2dn4 s PRO 50 CO 0.35 -2.97 1.02 -2.00 0.04 0.00 0.00 177.00 173.44 2dn4 s GLU 51 N -5.62 4.65 -1.06 4.56 2.12 -1.26 -3.29 118.70 118.80 2dn4 s GLU 51 Ca 0.72 1.61 0.00 0.00 0.36 0.00 0.00 54.97 57.66 2dn4 s GLU 51 Cb -0.07 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2dn4 s GLU 51 CO 0.54 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.96 2dn4 n GLY 52 N 1.12 -0.03 2.86 -1.50 0.00 -1.26 -4.98 105.19 101.41 2dn4 n GLY 52 Ca -0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.60 -0.53 0.00 -0.61 1.01 -1.21 -5.10 121.20 112.16 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 4.95 0.57 -3.56 2.79 -0.04 -1.26 -4.30 135.00 134.15 2dn4 n PRO 54 Ca 0.04 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.11 2dn4 n PRO 54 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.28 3.83 0.19 0.54 5.36 -1.26 -4.99 117.98 121.36 2dn4 s PHE 55 Ca 0.00 -2.75 0.02 0.00 -0.96 0.00 0.00 56.93 53.24 2dn4 s PHE 55 Cb 0.00 -3.43 -0.05 0.00 -0.34 0.00 0.00 43.02 39.21 2dn4 s PHE 55 CO 0.00 -0.84 0.01 1.03 -1.46 0.00 0.00 175.22 173.97 2dn4 s ARG 56 N -0.82 1.16 0.06 10.12 1.81 -1.26 -5.01 118.95 125.01 2dn4 s ARG 56 Ca 0.24 -1.57 -0.32 0.00 -1.72 0.00 0.00 55.73 52.36 2dn4 s ARG 56 Cb -0.11 -0.29 -0.17 0.00 -0.45 0.00 0.00 34.95 33.93 2dn4 s ARG 56 CO -0.09 -0.15 0.79 0.54 -0.68 0.00 0.00 175.30 175.71 2dn4 n ARG 57 N -0.28 0.00 0.00 3.54 1.74 -1.26 -4.76 116.66 115.64 2dn4 n ARG 57 Ca -0.06 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.12 2dn4 n ARG 57 Cb 0.64 -1.19 0.57 0.00 -1.02 0.00 0.00 32.46 31.46 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 1.19 0.75 -0.27 5.56 -0.04 -1.26 -2.24 135.00 138.68 2dn4 n PRO 58 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2dn4 n PRO 58 Cb 0.12 -1.40 0.27 0.00 -0.04 0.00 0.00 33.50 32.45 2dn4 n PRO 58 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dn4 n SER 59 N -0.90 3.31 0.00 3.54 7.64 -1.26 -3.84 113.62 122.10 2dn4 n SER 59 Ca 0.15 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2dn4 n SER 59 Cb 0.07 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2dn4 n SER 59 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dn4 n THR 60 N 1.33 0.38 -3.87 0.44 -2.24 -0.95 -5.05 114.28 104.33 2dn4 n THR 60 Ca 0.21 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 2dn4 n THR 60 Cb 0.54 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 2dn4 n THR 60 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2dn4 s TYR 61 N -0.38 3.53 0.90 4.78 2.02 -1.25 -5.07 117.35 121.87 2dn4 s TYR 61 Ca 0.00 0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.94 2dn4 s TYR 61 Cb 0.00 -1.83 0.13 0.00 -0.40 0.00 0.00 41.96 39.86 2dn4 s TYR 61 CO 0.00 0.58 1.09 0.20 -1.57 0.00 0.00 175.55 175.86 2dn4 s GLY 62 N -2.28 1.63 0.22 0.71 0.00 -1.26 -4.72 107.32 101.62 2dn4 s GLY 62 Ca 0.33 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 45.01 2dn4 s GLY 62 CO 0.24 0.52 1.79 -2.22 0.00 0.00 0.00 173.10 173.42 2dn4 h ILE 63 N -1.59 0.90 -0.02 0.90 2.04 -1.99 0.15 117.51 117.90 2dn4 h ILE 63 Ca -0.49 -0.21 -0.19 0.00 1.00 0.00 0.00 64.86 64.97 2dn4 h ILE 63 Cb 1.28 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2dn4 h ILE 63 CO 0.53 0.11 -0.81 1.55 0.00 0.00 0.00 178.15 179.53 2dn4 h PRO 64 N 0.62 0.23 -0.57 2.37 0.13 -2.00 -2.71 132.00 130.08 2dn4 h PRO 64 Ca 0.32 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2dn4 h PRO 64 Cb 0.28 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 2dn4 h PRO 64 CO -0.23 0.92 0.30 0.00 -0.23 0.00 0.00 178.00 178.76 2dn4 h ARG 65 N 0.14 0.80 0.23 0.86 3.08 -1.60 -2.43 114.38 115.47 2dn4 h ARG 65 Ca -0.04 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2dn4 h ARG 65 Cb 1.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2dn4 h ARG 65 CO 0.13 0.63 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.47 2dn4 h LEU 66 N 0.77 -0.26 -0.95 3.04 3.38 -0.77 -2.72 115.31 117.79 2dn4 h LEU 66 Ca 0.20 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2dn4 h LEU 66 Cb 0.07 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 2dn4 h LEU 66 CO -0.03 0.01 -0.58 -0.33 0.09 0.00 0.00 178.44 177.60 2dn4 h GLU 67 N -0.54 -0.03 -0.48 1.13 5.08 -1.32 0.31 114.58 118.73 2dn4 h GLU 67 Ca -0.03 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2dn4 h GLU 67 Cb 0.40 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 2dn4 h GLU 67 CO 0.05 -0.02 -0.24 0.00 -1.00 0.00 0.00 179.01 177.81 2dn4 h ARG 68 N -0.03 -0.13 -1.02 2.33 3.08 -1.42 0.78 114.38 117.97 2dn4 h ARG 68 Ca 0.15 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.48 2dn4 h ARG 68 Cb 0.42 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 2dn4 h ARG 68 CO -0.91 -0.08 0.68 0.82 -1.07 0.00 0.00 179.97 179.41 2dn4 h ILE 69 N -0.13 0.54 0.06 2.04 2.04 -0.15 1.87 117.51 123.78 2dn4 h ILE 69 Ca 0.22 -0.10 -0.24 0.00 1.00 0.00 0.00 64.86 65.75 2dn4 h ILE 69 Cb 0.48 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2dn4 h ILE 69 CO -0.57 0.05 -1.06 -0.07 0.00 0.00 0.00 178.15 176.51 2dn4 h LEU 70 N 0.29 0.34 -0.50 1.44 3.38 0.22 -1.44 115.31 119.04 2dn4 h LEU 70 Ca 0.54 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2dn4 h LEU 70 Cb 1.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2dn4 h LEU 70 CO -0.19 1.19 -0.21 -0.07 0.09 0.00 0.00 178.44 179.25 2dn4 h LEU 71 N 0.10 0.00 -0.99 1.67 3.38 0.52 -2.67 115.31 117.31 2dn4 h LEU 71 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 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 0.17 0.21 -0.26 0.00 0.09 0.00 0.00 178.44 178.65 2dn4 n ALA 72 N -2.17 3.08 -0.29 1.53 0.00 0.55 -4.26 120.51 118.94 2dn4 n ALA 72 Ca 0.02 -0.55 0.11 0.00 0.00 0.00 0.00 53.44 53.03 2dn4 n ALA 72 Cb 0.53 -0.96 0.27 0.00 0.00 0.00 0.00 19.45 19.30 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 2.42 0.29 0.00 0.00 2.10 -0.89 2.20 116.57 122.70 2dn4 h LYS 73 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2dn4 h LYS 73 Cb 0.68 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2dn4 h LYS 73 CO 0.00 0.19 0.27 0.93 -2.00 0.00 0.00 179.45 178.85 2dn4 h GLU 74 N 0.30 0.00 0.00 0.07 5.08 -1.78 -1.37 114.58 116.88 2dn4 h GLU 74 Ca 0.53 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.69 2dn4 h GLU 74 Cb 1.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 2dn4 h GLU 74 CO -0.57 0.00 -1.76 0.54 -1.00 0.00 0.00 179.01 176.22 2dn4 n ARG 75 N -2.75 0.84 -1.28 2.33 5.12 0.65 -5.02 116.66 116.54 2dn4 n ARG 75 Ca -0.02 0.06 -0.43 0.00 -1.93 0.00 0.00 57.85 55.53 2dn4 n ARG 75 Cb 0.32 -1.27 -0.01 0.00 -1.16 0.00 0.00 32.46 30.33 2dn4 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2dn4 n ILE 76 N -2.76 1.17 -3.55 0.55 5.41 0.41 -4.00 119.36 116.57 2dn4 n ILE 76 Ca -0.22 -0.48 -0.16 0.00 1.00 0.00 0.00 62.75 62.89 2dn4 n ILE 76 Cb 0.78 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.65 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 -0.96 0.93 -0.33 0.38 3.52 0.26 -4.80 118.95 117.94 2dn4 s ARG 77 Ca 0.59 0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 56.57 2dn4 s ARG 77 Cb -0.73 0.44 0.07 0.00 -1.56 0.00 0.00 34.95 33.18 2dn4 s ARG 77 CO 0.57 -0.25 0.06 -0.06 -0.81 0.00 0.00 175.30 174.81 2dn4 s PHE 78 N -0.83 3.43 -0.12 5.12 0.40 -1.26 0.16 117.98 124.88 2dn4 s PHE 78 Ca -0.07 -2.21 -0.26 0.00 -0.60 0.00 0.00 56.93 53.79 2dn4 s PHE 78 Cb -0.01 -2.53 -0.02 0.00 0.51 0.00 0.00 43.02 40.96 2dn4 s PHE 78 CO 0.06 -0.88 0.82 0.08 0.70 0.00 0.00 175.22 176.01 2dn4 s VAL 79 N 1.16 4.92 -0.59 -0.44 1.01 -0.71 -4.75 120.40 121.00 2dn4 s VAL 79 Ca 0.01 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.67 2dn4 s VAL 79 Cb -0.21 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.18 2dn4 s VAL 79 CO -0.03 0.10 0.36 -0.63 0.00 0.00 0.00 175.10 174.90 2dn4 s ILE 80 N 1.66 2.96 -0.02 2.22 -1.09 -1.26 -2.87 121.20 122.79 2dn4 s ILE 80 Ca 0.40 -3.46 -0.22 0.00 -2.23 0.00 0.00 60.65 55.14 2dn4 s ILE 80 Cb -0.17 -2.99 -0.15 0.00 -1.58 0.00 0.00 42.46 37.57 2dn4 s ILE 80 CO 0.16 -0.87 1.00 0.11 -1.23 0.00 0.00 174.94 174.12 2dn4 h LYS 81 N 6.37 -0.41 -4.76 2.79 1.79 -1.79 -3.41 116.57 117.14 2dn4 h LYS 81 Ca -0.02 0.03 -0.68 0.00 -2.18 0.00 0.00 60.65 57.80 2dn4 h LYS 81 Cb 0.87 0.09 -0.25 0.00 -1.58 0.00 0.00 32.23 31.36 2dn4 h LYS 81 CO 0.71 -0.08 -0.60 0.15 -1.08 0.00 0.00 179.45 178.55 2dn4 s LYS 82 N -4.04 3.07 -0.13 3.15 -0.14 -1.26 -4.97 119.74 115.42 2dn4 s LYS 82 Ca -0.13 -0.88 -0.18 0.00 -1.36 0.00 0.00 55.97 53.42 2dn4 s LYS 82 Cb 0.01 -3.46 -0.16 0.00 -1.68 0.00 0.00 37.83 32.54 2dn4 s LYS 82 CO 0.46 -0.49 0.44 0.45 -0.76 0.00 0.00 175.35 175.45 2dn4 h HIS 83 N 8.28 0.00 -0.91 3.18 3.86 -1.99 -3.34 115.15 124.23 2dn4 h HIS 83 Ca -0.30 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.17 2dn4 h HIS 83 Cb 1.12 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.44 2dn4 h HIS 83 CO 0.61 0.69 0.24 1.05 0.86 0.00 0.00 177.93 181.38 2dn4 h GLU 84 N -1.00 0.16 -1.60 2.45 4.11 -1.99 1.39 114.58 118.10 2dn4 h GLU 84 Ca -0.03 -0.01 0.46 0.00 0.07 0.00 0.00 59.36 59.85 2dn4 h GLU 84 Cb 0.70 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2dn4 h GLU 84 CO -0.02 0.10 1.15 -0.07 0.07 0.00 0.00 179.01 180.25 2dn4 h LEU 85 N 0.16 0.00 0.12 3.06 3.38 -1.99 0.12 115.31 120.16 2dn4 h LEU 85 Ca 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.55 2dn4 h LEU 85 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2dn4 h LEU 85 CO -0.71 -0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 177.70 2dn4 h LEU 86 N 0.00 -0.13 -1.83 1.67 3.38 0.17 -3.50 115.31 115.07 2dn4 h LEU 86 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.73 2dn4 h LEU 86 Cb 3.05 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 43.84 2dn4 h LEU 86 CO -0.01 0.20 -0.75 -3.20 0.09 0.00 0.00 178.44 174.78 2dn4 n ASN 87 N -4.08 -7.44 -2.65 -0.43 2.85 0.41 -5.07 115.26 98.84 2dn4 n ASN 87 Ca -0.02 1.38 -0.03 0.00 -0.11 0.00 0.00 54.58 55.80 2dn4 n ASN 87 Cb 0.06 -4.15 0.04 0.00 1.24 0.00 0.00 39.78 36.97 2dn4 n ASN 87 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2dn4 n SER 88 N 1.36 -1.07 0.12 1.20 7.64 -1.26 -5.03 113.62 116.57 2dn4 n SER 88 Ca -0.01 -0.63 -0.20 0.00 1.01 0.00 0.00 58.87 59.04 2dn4 n SER 88 Cb 0.02 0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 2dn4 n SER 88 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2dn4 h THR 89 N 2.03 1.38 -3.24 0.44 1.35 -2.02 -3.45 112.91 109.40 2dn4 h THR 89 Ca -0.03 -2.79 -0.25 0.00 -0.55 0.00 0.00 66.41 62.79 2dn4 h THR 89 Cb 1.18 2.90 -0.32 0.00 -1.73 0.00 0.00 68.15 70.18 2dn4 h THR 89 CO -0.14 0.83 -0.61 -0.60 -0.25 0.00 0.00 175.52 174.75 2dn4 s ARG 90 N -2.74 0.08 0.05 4.72 6.06 -1.26 -5.15 118.95 120.70 2dn4 s ARG 90 Ca -0.07 0.39 0.05 0.00 -2.50 0.00 0.00 55.73 53.61 2dn4 s ARG 90 Cb 0.06 -0.20 -0.04 0.00 0.06 0.00 0.00 34.95 34.84 2dn4 s ARG 90 CO 0.91 -0.19 -0.09 -1.83 -2.50 0.00 0.00 175.30 171.61 2dn4 s GLU 91 N 1.33 2.34 -0.06 5.12 1.03 -1.26 -5.12 118.70 122.08 2dn4 s GLU 91 Ca -0.07 -0.87 -0.03 0.00 0.03 0.00 0.00 54.97 54.02 2dn4 s GLU 91 Cb -0.12 -2.39 0.03 0.00 -0.80 0.00 0.00 34.13 30.85 2dn4 s GLU 91 CO -0.06 0.56 0.13 -0.51 -1.33 0.00 0.00 175.26 174.05 2dn4 s ASP 92 N -1.75 -0.11 -0.29 0.83 1.01 -1.26 -5.12 116.67 109.99 2dn4 s ASP 92 Ca 0.19 0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.75 2dn4 s ASP 92 Cb -0.11 0.20 0.18 0.00 1.01 0.00 0.00 42.92 44.20 2dn4 s ASP 92 CO 0.10 -0.11 0.49 -0.22 0.21 0.00 0.00 175.17 175.64 2dn4 s LEU 93 N 0.77 -1.16 0.02 1.23 1.98 -1.26 -5.15 118.68 115.12 2dn4 s LEU 93 Ca -0.06 0.03 0.01 0.00 -2.89 0.00 0.00 54.13 51.22 2dn4 s LEU 93 Cb -0.08 1.57 -0.02 0.00 0.66 0.00 0.00 46.19 48.33 2dn4 s LEU 93 CO -0.04 -0.32 -0.04 -0.55 -1.89 0.00 0.00 176.35 173.51 2dn4 s SER 94 N 2.69 0.39 0.00 3.68 0.15 -1.26 -5.09 113.70 114.26 2dn4 s SER 94 Ca 0.11 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2dn4 s SER 94 Cb -0.12 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2dn4 s SER 94 CO -0.26 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2dn4 n GLY 95 N 1.62 2.48 0.07 9.45 0.00 -1.26 -5.04 105.19 112.51 2dn4 n GLY 95 Ca -0.23 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.01 -5.54 1.61 0.13 -2.09 -3.49 132.00 122.60 2dn4 h PRO 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2dn4 h PRO 96 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2dn4 h PRO 96 CO 0.00 0.72 -0.91 0.43 -0.23 0.00 0.00 178.00 178.01 2dn4 n SER 97 N -4.74 -3.95 -3.73 1.44 7.64 -1.26 -5.04 113.62 103.98 2dn4 n SER 97 Ca -0.09 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 2dn4 n SER 97 Cb 0.36 -3.61 -0.11 0.00 -1.01 0.00 0.00 64.21 59.85 2dn4 n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn4 s SER 98 N -0.46 -0.42 0.00 6.43 1.04 -1.26 -5.32 113.70 113.70 2dn4 s SER 98 Ca -0.15 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2dn4 s SER 98 Cb 0.01 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2dn4 s SER 98 CO 0.44 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.12