#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 0.11 0.13 1.61 7.64 -1.26 -5.06 113.62 116.80 2dn4 n SER 2 Ca 0.00 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2dn4 n SER 2 Cb 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2dn4 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dn4 n SER 3 N -3.34 -0.01 0.00 6.43 2.88 -1.26 -5.18 113.62 113.15 2dn4 n SER 3 Ca 0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2dn4 n SER 3 Cb 0.02 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2dn4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn4 n GLY 4 N 1.78 2.25 2.04 0.46 0.00 -1.26 -5.07 105.19 105.38 2dn4 n GLY 4 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2dn4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn4 n SER 5 N 0.00 -0.85 -4.56 1.61 2.88 -1.26 -5.11 113.62 106.33 2dn4 n SER 5 Ca 0.00 0.54 -0.38 0.00 -1.33 0.00 0.00 58.87 57.70 2dn4 n SER 5 Cb 0.00 0.99 0.04 0.00 -0.75 0.00 0.00 64.21 64.49 2dn4 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn4 n SER 6 N -3.42 0.16 0.00 -3.46 7.64 -1.26 -4.84 113.62 108.44 2dn4 n SER 6 Ca 0.00 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.69 2dn4 n SER 6 Cb 0.00 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 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 1.46 2.00 0.03 0.23 0.00 -1.26 -4.95 105.19 102.69 2dn4 n GLY 7 Ca 0.13 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.15 -0.94 0.99 3.38 -1.98 1.14 115.31 117.76 2dn4 h LEU 8 Ca 0.00 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.13 2dn4 h LEU 8 Cb 0.00 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.67 2dn4 h LEU 8 CO 0.00 -0.02 -0.38 -1.14 0.09 0.00 0.00 178.44 177.00 2dn4 n ARG 9 N -3.13 -0.23 -0.13 1.13 0.63 -1.26 0.15 116.66 113.81 2dn4 n ARG 9 Ca 0.00 1.44 -0.05 0.00 -0.92 0.00 0.00 57.85 58.32 2dn4 n ARG 9 Cb 0.02 -2.14 0.03 0.00 0.45 0.00 0.00 32.46 30.82 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 0.32 -0.49 -0.14 3.64 -1.14 1.52 116.57 120.28 2dn4 h LYS 10 Ca 0.32 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2dn4 h LYS 10 Cb 0.55 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 2dn4 h LYS 10 CO -0.93 0.21 0.09 1.96 -2.27 0.00 0.00 179.45 178.52 2dn4 h GLN 11 N 0.33 0.22 -0.14 1.90 4.20 1.00 0.49 115.11 123.11 2dn4 h GLN 11 Ca 0.19 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 2dn4 h GLN 11 Cb 0.17 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2dn4 h GLN 11 CO -0.19 0.14 -0.24 0.28 -0.67 0.00 0.00 178.83 178.15 2dn4 h VAL 12 N 0.22 1.36 -0.45 -0.54 2.07 0.50 0.18 116.25 119.59 2dn4 h VAL 12 Ca 0.24 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.37 2dn4 h VAL 12 Cb 0.33 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 2dn4 h VAL 12 CO -0.32 0.44 -0.07 -0.33 0.02 0.00 0.00 177.57 177.31 2dn4 h GLU 13 N 0.03 0.04 -0.27 1.57 5.08 0.29 1.65 114.58 122.97 2dn4 h GLU 13 Ca 0.01 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2dn4 h GLU 13 Cb 0.82 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2dn4 h GLU 13 CO 0.06 0.03 -0.59 0.93 -1.00 0.00 0.00 179.01 178.43 2dn4 h GLU 14 N 0.04 0.86 0.26 2.33 4.39 -0.04 -2.97 114.58 119.46 2dn4 h GLU 14 Ca 0.22 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2dn4 h GLU 14 Cb 0.34 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2dn4 h GLU 14 CO -0.43 1.20 -0.12 1.25 -1.16 0.00 0.00 179.01 179.74 2dn4 h LEU 15 N 0.65 -0.30 -0.41 1.33 5.85 0.52 -1.10 115.31 121.86 2dn4 h LEU 15 Ca 0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2dn4 h LEU 15 Cb 1.20 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2dn4 h LEU 15 CO 0.13 -0.16 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.28 2dn4 h PHE 16 N -0.41 -1.63 -0.28 1.25 -1.00 0.24 -1.04 116.94 114.07 2dn4 h PHE 16 Ca -0.04 0.08 0.07 0.00 2.81 0.00 0.00 57.97 60.89 2dn4 h PHE 16 Cb 0.31 0.76 -0.07 0.00 3.61 0.00 0.00 35.95 40.56 2dn4 h PHE 16 CO -0.04 -0.46 -0.19 0.93 -1.61 0.00 0.00 178.31 176.93 2dn4 h GLU 17 N -0.36 -0.16 -0.53 1.51 5.08 -1.46 -2.46 114.58 116.19 2dn4 h GLU 17 Ca 0.07 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2dn4 h GLU 17 Cb 0.56 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2dn4 h GLU 17 CO -0.58 -0.11 -0.31 0.54 -1.00 0.00 0.00 179.01 177.55 2dn4 n ARG 18 N -5.35 -0.23 -0.17 2.33 1.74 -0.42 0.17 116.66 114.72 2dn4 n ARG 18 Ca -0.00 1.22 -0.13 0.00 -0.77 0.00 0.00 57.85 58.17 2dn4 n ARG 18 Cb 0.26 -1.81 -0.10 0.00 -1.02 0.00 0.00 32.46 29.80 2dn4 n ARG 18 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dn4 h LYS 19 N 0.00 -0.34 -0.65 5.56 1.79 -0.95 1.05 116.57 123.03 2dn4 h LYS 19 Ca 0.08 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.70 2dn4 h LYS 19 Cb 0.22 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.85 2dn4 h LYS 19 CO -0.50 -0.22 0.16 -0.92 -1.08 0.00 0.00 179.45 176.89 2dn4 h TYR 20 N -0.35 0.26 -0.82 -1.35 3.20 -0.41 0.24 116.97 117.73 2dn4 h TYR 20 Ca 0.09 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2dn4 h TYR 20 Cb 0.58 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2dn4 h TYR 20 CO -0.76 -0.03 0.46 0.00 -1.64 0.00 0.00 178.16 176.20 2dn4 h ALA 21 N 1.52 1.27 -0.38 1.82 0.00 0.44 -2.27 119.26 121.66 2dn4 h ALA 21 Ca 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2dn4 h ALA 21 Cb 0.53 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2dn4 h ALA 21 CO -0.42 0.60 0.17 1.96 0.00 0.00 0.00 179.25 181.56 2dn4 h GLN 22 N 1.14 0.55 0.00 0.00 4.20 0.40 1.74 115.11 123.14 2dn4 h GLN 22 Ca 0.29 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2dn4 h GLN 22 Cb 0.00 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2dn4 h GLN 22 CO -0.05 0.50 0.11 0.00 -0.67 0.00 0.00 178.83 178.72 2dn4 h ALA 23 N 1.02 1.11 0.00 3.87 0.00 -0.23 0.39 119.26 125.42 2dn4 h ALA 23 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dn4 h ALA 23 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dn4 h ALA 23 CO -0.01 -0.11 -0.06 0.44 0.00 0.00 0.00 179.25 179.51 2dn4 n ILE 24 N -2.95 1.41 -4.05 0.00 -5.35 -0.36 -5.00 119.36 103.06 2dn4 n ILE 24 Ca -0.03 -1.65 -0.43 0.00 -0.27 0.00 0.00 62.75 60.37 2dn4 n ILE 24 Cb 0.17 0.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.14 2dn4 n ILE 24 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2dn4 n LYS 25 N -1.02 -0.35 -3.84 6.28 4.76 0.41 -4.90 118.16 119.50 2dn4 n LYS 25 Ca 0.10 0.09 -0.36 0.00 -2.87 0.00 0.00 58.31 55.28 2dn4 n LYS 25 Cb 0.56 -2.25 -0.13 0.00 -1.84 0.00 0.00 35.03 31.36 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 -3.53 3.02 -0.44 7.82 0.00 0.49 -4.96 121.76 124.17 2dn4 s ALA 26 Ca 0.43 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2dn4 s ALA 26 Cb -0.24 -1.91 0.47 0.00 0.00 0.00 0.00 23.12 21.43 2dn4 s ALA 26 CO 0.92 -0.43 1.37 0.36 0.00 0.00 0.00 175.76 177.99 2dn4 n LYS 27 N 4.81 2.78 -4.28 0.00 2.85 -1.26 -4.55 118.16 118.50 2dn4 n LYS 27 Ca -0.17 -1.89 -0.15 0.00 -1.05 0.00 0.00 58.31 55.05 2dn4 n LYS 27 Cb 0.51 -1.88 -0.10 0.00 -0.65 0.00 0.00 35.03 32.91 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 -0.44 1.65 -0.23 2.58 0.00 -1.26 -5.11 107.32 104.50 2dn4 s GLY 28 Ca 0.34 -1.82 -0.29 0.00 0.00 0.00 0.00 44.72 42.95 2dn4 s GLY 28 CO 0.09 -1.53 1.32 2.56 0.00 0.00 0.00 173.10 175.53 2dn4 s PRO 29 N -4.07 4.04 0.34 2.90 0.04 -1.26 -4.93 135.00 132.05 2dn4 s PRO 29 Ca 0.38 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2dn4 s PRO 29 Cb 0.08 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2dn4 s PRO 29 CO 0.13 -0.96 0.17 0.14 0.04 0.00 0.00 177.00 176.53 2dn4 s VAL 30 N 4.07 3.18 -0.02 -0.36 -7.23 -1.26 -4.96 120.40 113.81 2dn4 s VAL 30 Ca 0.57 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2dn4 s VAL 30 Cb -0.20 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2dn4 s VAL 30 CO 0.20 -0.19 0.11 -0.89 -0.31 0.00 0.00 175.10 174.02 2dn4 s THR 31 N -2.39 4.94 -0.27 5.32 2.01 -1.26 -4.87 115.64 119.12 2dn4 s THR 31 Ca 0.38 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 2dn4 s THR 31 Cb -0.03 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2dn4 s THR 31 CO 0.23 0.37 0.15 -0.63 -0.69 0.00 0.00 174.62 174.06 2dn4 s ILE 32 N -1.21 4.98 -0.52 1.82 1.01 -1.26 -5.04 121.20 120.98 2dn4 s ILE 32 Ca 0.23 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 2dn4 s ILE 32 Cb -0.12 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.99 2dn4 s ILE 32 CO 0.14 0.27 1.48 -2.16 0.00 0.00 0.00 174.94 174.68 2dn4 s PRO 33 N 1.71 3.29 0.07 2.79 0.04 -1.26 -4.85 135.00 136.79 2dn4 s PRO 33 Ca 0.07 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 2dn4 s PRO 33 Cb -0.16 -4.14 -0.28 0.00 0.04 0.00 0.00 34.50 29.97 2dn4 s PRO 33 CO 0.09 -1.94 1.13 1.88 0.04 0.00 0.00 177.00 178.19 2dn4 h TYR 34 N 11.49 0.61 0.03 0.56 0.05 -1.99 -3.17 116.97 124.55 2dn4 h TYR 34 Ca -0.27 -0.44 -0.00 0.00 0.05 0.00 0.00 58.73 58.07 2dn4 h TYR 34 Cb 1.11 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2dn4 h TYR 34 CO 1.02 1.33 -0.02 -1.00 -1.05 0.00 0.00 178.16 178.44 2dn4 h PRO 35 N 0.11 -0.04 -0.84 4.88 0.13 -1.99 -2.96 132.00 131.28 2dn4 h PRO 35 Ca -0.15 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2dn4 h PRO 35 Cb 1.97 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.98 2dn4 h PRO 35 CO 0.22 -0.03 -0.33 1.28 -0.23 0.00 0.00 178.00 178.91 2dn4 n LEU 36 N -2.40 -0.55 -0.21 1.56 4.77 -1.26 0.20 117.00 119.10 2dn4 n LEU 36 Ca -0.01 1.46 0.02 0.00 -0.03 0.00 0.00 56.01 57.45 2dn4 n LEU 36 Cb 0.02 -0.33 0.12 0.00 -2.33 0.00 0.00 43.42 40.89 2dn4 n LEU 36 CO 0.01 -1.31 0.86 -0.26 -1.33 0.00 0.00 177.39 175.36 2dn4 h PHE 37 N 0.00 0.04 -0.64 -1.77 -1.00 -1.68 0.48 116.94 112.36 2dn4 h PHE 37 Ca 0.29 0.04 0.06 0.00 2.81 0.00 0.00 57.97 61.17 2dn4 h PHE 37 Cb 0.50 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 2dn4 h PHE 37 CO -0.74 -0.14 0.42 1.96 -1.61 0.00 0.00 178.31 178.21 2dn4 h GLN 38 N 0.16 0.62 -0.00 1.51 1.08 0.24 0.45 115.11 119.16 2dn4 h GLN 38 Ca 0.34 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2dn4 h GLN 38 Cb 0.56 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dn4 h GLN 38 CO -0.52 0.41 -0.18 -1.13 -0.95 0.00 0.00 178.83 176.46 2dn4 n SER 39 N -4.48 0.21 -3.05 1.46 3.41 0.12 -4.19 113.62 107.10 2dn4 n SER 39 Ca 0.09 0.14 -0.19 0.00 -0.26 0.00 0.00 58.87 58.65 2dn4 n SER 39 Cb 0.23 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2dn4 n SER 39 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2dn4 n HIS 40 N -1.45 -1.25 0.80 7.33 8.25 0.12 -4.91 115.22 124.12 2dn4 n HIS 40 Ca 0.07 -3.03 0.13 0.00 -0.26 0.00 0.00 57.72 54.63 2dn4 n HIS 40 Cb 0.33 0.25 0.32 0.00 1.12 0.00 0.00 29.99 32.01 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 1.36 0.20 1.09 1.59 0.24 0.61 0.10 118.33 123.52 2dn4 n VAL 41 Ca 0.17 -0.13 0.13 0.00 -2.04 0.00 0.00 64.34 62.47 2dn4 n VAL 41 Cb 0.57 -0.15 0.40 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.81 0.20 0.01 7.34 -0.58 -1.26 -4.38 120.64 120.17 2dn4 n GLU 42 Ca 0.05 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2dn4 n GLU 42 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2dn4 n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dn4 n ASP 43 N -1.32 0.14 -4.45 1.62 9.92 -1.20 -4.98 116.55 116.29 2dn4 n ASP 43 Ca 0.08 0.04 -0.41 0.00 -0.53 0.00 0.00 54.79 53.97 2dn4 n ASP 43 Cb 0.33 -0.03 -0.11 0.00 -0.64 0.00 0.00 41.12 40.68 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 -5.97 4.70 0.11 0.64 1.43 0.12 -1.87 118.68 117.83 2dn4 s LEU 44 Ca 0.00 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 52.10 2dn4 s LEU 44 Cb 0.00 -2.09 0.07 0.00 0.03 0.00 0.00 46.19 44.20 2dn4 s LEU 44 CO 0.00 -0.34 0.63 -0.72 0.23 0.00 0.00 176.35 176.15 2dn4 s TYR 45 N 1.65 -0.56 0.08 0.29 -0.85 -1.22 -3.92 117.35 112.82 2dn4 s TYR 45 Ca 0.04 0.51 0.01 0.00 -0.52 0.00 0.00 57.07 57.12 2dn4 s TYR 45 Cb -0.18 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 2dn4 s TYR 45 CO 0.09 -0.78 0.20 0.08 -1.52 0.00 0.00 175.55 173.61 2dn4 s VAL 46 N -3.13 5.19 0.37 -3.49 1.01 -1.26 -1.91 120.40 117.18 2dn4 s VAL 46 Ca -0.02 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.49 2dn4 s VAL 46 Cb -0.01 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2dn4 s VAL 46 CO -0.08 0.09 0.23 -1.61 0.00 0.00 0.00 175.10 173.74 2dn4 s GLU 47 N -2.63 1.88 0.00 2.72 2.02 0.37 -4.82 118.70 118.24 2dn4 s GLU 47 Ca 0.34 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 53.21 2dn4 s GLU 47 Cb -0.12 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2dn4 s GLU 47 CO 0.27 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2dn4 n GLY 48 N -0.77 0.72 3.79 -1.39 0.00 -1.25 0.14 105.19 106.43 2dn4 n GLY 48 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 3.38 0.00 0.99 1.43 -1.26 -2.50 118.68 120.72 2dn4 s LEU 49 Ca 0.00 1.83 -0.05 0.00 -1.03 0.00 0.00 54.13 54.88 2dn4 s LEU 49 Cb 0.00 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.76 2dn4 s LEU 49 CO 0.00 -1.39 0.33 -0.81 0.23 0.00 0.00 176.35 174.71 2dn4 n PRO 50 N -2.41 -0.97 -3.16 1.29 -0.04 -1.26 -4.99 135.00 123.46 2dn4 n PRO 50 Ca 0.09 -0.52 -0.39 0.00 -0.04 0.00 0.00 63.50 62.64 2dn4 n PRO 50 Cb 0.53 -0.41 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 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 -3.73 4.34 -0.89 0.54 2.12 -1.26 -3.82 118.70 116.00 2dn4 s GLU 51 Ca 0.20 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.42 2dn4 s GLU 51 Cb -0.01 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.12 2dn4 s GLU 51 CO 0.15 0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 2dn4 n GLY 52 N 1.72 -0.05 2.85 -1.50 0.00 -1.26 -4.99 105.19 101.96 2dn4 n GLY 52 Ca -0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.51 0.00 -0.61 1.01 -1.25 -5.09 121.20 112.23 2dn4 s ILE 53 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2dn4 s ILE 53 Cb 0.00 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2dn4 s ILE 53 CO 0.00 -0.40 0.00 -0.81 0.00 0.00 0.00 174.94 173.73 2dn4 n PRO 54 N 4.96 0.64 -3.47 2.79 -0.04 -1.26 -4.39 135.00 134.23 2dn4 n PRO 54 Ca 0.04 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 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 0.34 -0.04 0.00 0.00 175.50 175.80 2dn4 n PHE 55 N -0.72 3.80 -4.46 0.54 7.35 -1.26 -5.01 117.46 117.71 2dn4 n PHE 55 Ca 0.00 -3.85 -0.22 0.00 -0.76 0.00 0.00 57.45 52.62 2dn4 n PHE 55 Cb 0.00 -1.07 -0.10 0.00 0.35 0.00 0.00 39.48 38.65 2dn4 n PHE 55 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2dn4 s ARG 56 N -1.85 1.62 -0.21 -4.13 1.81 -1.26 -4.99 118.95 109.93 2dn4 s ARG 56 Ca 0.31 -1.84 -0.36 0.00 -1.72 0.00 0.00 55.73 52.12 2dn4 s ARG 56 Cb -0.01 -1.21 -0.17 0.00 -0.45 0.00 0.00 34.95 33.12 2dn4 s ARG 56 CO -0.06 0.01 1.11 -2.13 -0.68 0.00 0.00 175.30 173.56 2dn4 n ARG 57 N -0.64 0.00 0.00 3.54 0.63 -1.26 -4.74 116.66 114.18 2dn4 n ARG 57 Ca -0.05 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.98 2dn4 n ARG 57 Cb 0.64 -1.24 0.60 0.00 0.45 0.00 0.00 32.46 32.91 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 2.31 0.75 -0.30 -0.14 -0.04 -1.26 -2.24 135.00 134.07 2dn4 n PRO 58 Ca 0.21 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2dn4 n PRO 58 Cb 0.01 -1.42 0.28 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.92 3.40 -0.19 3.54 3.41 -1.26 -3.90 113.62 117.69 2dn4 n SER 59 Ca 0.15 -1.99 0.02 0.00 -0.26 0.00 0.00 58.87 56.79 2dn4 n SER 59 Cb 0.07 -0.40 0.03 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.37 0.54 -3.85 6.66 5.66 -0.95 -5.08 114.28 118.63 2dn4 n THR 60 Ca 0.21 -0.62 -0.21 0.00 -3.05 0.00 0.00 64.05 60.38 2dn4 n THR 60 Cb 0.55 0.49 -0.02 0.00 -1.55 0.00 0.00 70.33 69.80 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 -0.74 3.40 0.74 1.09 2.02 -1.25 -5.06 117.35 117.55 2dn4 s TYR 61 Ca 0.06 -0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.62 2dn4 s TYR 61 Cb 0.06 -1.66 0.04 0.00 -0.40 0.00 0.00 41.96 40.00 2dn4 s TYR 61 CO 0.01 0.35 1.08 0.20 -1.57 0.00 0.00 175.55 175.62 2dn4 s GLY 62 N -4.01 1.64 0.18 0.71 0.00 -1.26 -4.83 107.32 99.75 2dn4 s GLY 62 Ca 0.36 -0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 2dn4 s GLY 62 CO 0.30 0.21 1.83 -2.22 0.00 0.00 0.00 173.10 173.22 2dn4 h ILE 63 N -0.86 1.08 -0.00 0.90 2.04 -1.99 0.57 117.51 119.24 2dn4 h ILE 63 Ca -0.46 -0.24 -0.16 0.00 1.00 0.00 0.00 64.86 65.00 2dn4 h ILE 63 Cb 1.25 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2dn4 h ILE 63 CO 0.60 0.13 -0.76 1.55 0.00 0.00 0.00 178.15 179.67 2dn4 h PRO 64 N 0.70 0.03 -0.29 2.37 0.13 -2.00 -2.68 132.00 130.26 2dn4 h PRO 64 Ca 0.23 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 2dn4 h PRO 64 Cb -0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dn4 h PRO 64 CO -0.09 0.78 0.09 0.00 -0.23 0.00 0.00 178.00 178.55 2dn4 h ARG 65 N 0.02 0.46 0.47 0.86 3.08 -1.74 -2.53 114.38 115.00 2dn4 h ARG 65 Ca -0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2dn4 h ARG 65 Cb 1.35 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2dn4 h ARG 65 CO 0.10 0.51 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.21 2dn4 h LEU 66 N 0.32 -0.53 -0.93 3.04 3.38 -0.92 -2.62 115.31 117.04 2dn4 h LEU 66 Ca 0.10 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2dn4 h LEU 66 Cb 0.24 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 2dn4 h LEU 66 CO -0.00 -0.27 -0.55 -0.62 0.09 0.00 0.00 178.44 177.09 2dn4 n GLU 67 N -5.30 -0.41 -0.14 1.13 1.02 -1.01 0.20 120.64 116.12 2dn4 n GLU 67 Ca -0.11 1.42 -0.05 0.00 -0.02 0.00 0.00 57.16 58.39 2dn4 n GLU 67 Cb 0.29 -2.08 0.01 0.00 -0.02 0.00 0.00 31.44 29.64 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 -0.16 -1.04 3.49 3.08 -1.41 0.69 114.38 119.03 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 0.38 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.38 2dn4 h ARG 68 CO -0.88 -0.11 0.68 0.82 -1.07 0.00 0.00 179.97 179.42 2dn4 h ILE 69 N -0.17 0.52 0.01 2.04 2.04 0.14 1.30 117.51 123.40 2dn4 h ILE 69 Ca 0.21 -0.12 -0.21 0.00 1.00 0.00 0.00 64.86 65.73 2dn4 h ILE 69 Cb 0.50 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2dn4 h ILE 69 CO -0.56 0.06 -0.92 -0.07 0.00 0.00 0.00 178.15 176.67 2dn4 h LEU 70 N 0.36 0.36 -0.13 1.44 3.38 0.22 -0.12 115.31 120.81 2dn4 h LEU 70 Ca 0.58 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2dn4 h LEU 70 Cb 1.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2dn4 h LEU 70 CO -0.26 1.10 0.00 0.18 0.09 0.00 0.00 178.44 179.55 2dn4 n LEU 71 N -3.68 0.47 -0.38 1.67 4.77 0.37 -2.35 117.00 117.88 2dn4 n LEU 71 Ca -0.05 0.56 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 2dn4 n LEU 71 Cb 0.83 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2dn4 n LEU 71 CO 0.49 -0.21 0.30 0.00 -1.33 0.00 0.00 177.39 176.64 2dn4 n ALA 72 N -1.67 2.92 -0.35 -1.18 0.00 0.30 -4.49 120.51 116.04 2dn4 n ALA 72 Ca 0.05 -0.53 0.24 0.00 0.00 0.00 0.00 53.44 53.21 2dn4 n ALA 72 Cb 0.34 -0.49 0.51 0.00 0.00 0.00 0.00 19.45 19.81 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 1.86 0.35 -0.06 0.00 2.10 -0.62 2.19 116.57 122.39 2dn4 h LYS 73 Ca 0.00 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2dn4 h LYS 73 Cb 0.51 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2dn4 h LYS 73 CO 0.00 0.23 0.05 0.93 -2.00 0.00 0.00 179.45 178.66 2dn4 h GLU 74 N 0.36 0.00 0.00 0.07 5.08 -1.78 -2.66 114.58 115.64 2dn4 h GLU 74 Ca 0.65 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.65 2dn4 h GLU 74 Cb 1.66 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.84 2dn4 h GLU 74 CO -0.36 0.00 -2.36 0.54 -1.00 0.00 0.00 179.01 175.84 2dn4 n ARG 75 N -4.15 0.70 -1.23 2.33 1.74 0.64 -5.00 116.66 111.69 2dn4 n ARG 75 Ca -0.02 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 2dn4 n ARG 75 Cb 0.15 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 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 -3.05 1.09 -3.56 0.55 5.41 0.43 -3.96 119.36 116.27 2dn4 n ILE 76 Ca -0.39 -0.46 -0.16 0.00 1.00 0.00 0.00 62.75 62.73 2dn4 n ILE 76 Cb 1.01 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.87 2dn4 n ILE 76 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2dn4 s ARG 77 N -0.92 0.96 -0.36 0.38 3.52 0.38 -4.79 118.95 118.13 2dn4 s ARG 77 Ca 0.56 0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 56.58 2dn4 s ARG 77 Cb -0.69 0.46 0.06 0.00 -1.56 0.00 0.00 34.95 33.22 2dn4 s ARG 77 CO 0.55 -0.25 0.13 -0.06 -0.81 0.00 0.00 175.30 174.86 2dn4 s PHE 78 N -0.71 3.34 0.05 5.12 0.40 -1.26 0.14 117.98 125.06 2dn4 s PHE 78 Ca -0.07 -1.76 -0.24 0.00 -0.60 0.00 0.00 56.93 54.26 2dn4 s PHE 78 Cb -0.02 -2.55 -0.06 0.00 0.51 0.00 0.00 43.02 40.91 2dn4 s PHE 78 CO 0.07 -0.82 0.73 0.08 0.70 0.00 0.00 175.22 175.98 2dn4 s VAL 79 N 1.32 4.73 -0.59 -0.44 1.01 -0.81 -4.76 120.40 120.86 2dn4 s VAL 79 Ca 0.00 1.56 0.06 0.00 0.00 0.00 0.00 61.98 63.60 2dn4 s VAL 79 Cb -0.21 -4.08 0.21 0.00 0.00 0.00 0.00 36.38 32.30 2dn4 s VAL 79 CO 0.00 0.39 0.56 -0.38 0.00 0.00 0.00 175.10 175.68 2dn4 n ILE 80 N 2.65 1.08 0.09 2.22 2.08 -1.26 -3.38 119.36 122.83 2dn4 n ILE 80 Ca -0.04 -4.63 -0.12 0.00 0.56 0.00 0.00 62.75 58.52 2dn4 n ILE 80 Cb 0.50 -2.04 -0.06 0.00 -0.75 0.00 0.00 39.64 37.29 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 4.81 -0.22 -5.12 0.38 1.79 -1.75 -3.40 116.57 113.06 2dn4 h LYS 81 Ca 0.17 0.01 -0.65 0.00 -2.18 0.00 0.00 60.65 58.01 2dn4 h LYS 81 Cb 0.77 0.05 -0.26 0.00 -1.58 0.00 0.00 32.23 31.20 2dn4 h LYS 81 CO 0.66 -0.14 -0.72 0.15 -1.08 0.00 0.00 179.45 178.32 2dn4 s LYS 82 N -6.15 3.44 -0.17 3.15 -0.14 -1.26 -5.00 119.74 113.61 2dn4 s LYS 82 Ca -0.14 -0.62 -0.16 0.00 -1.36 0.00 0.00 55.97 53.69 2dn4 s LYS 82 Cb 0.07 -2.91 -0.13 0.00 -1.68 0.00 0.00 37.83 33.18 2dn4 s LYS 82 CO 0.66 -0.02 0.11 0.45 -0.76 0.00 0.00 175.35 175.78 2dn4 h HIS 83 N 7.54 0.00 -0.95 3.18 3.86 -1.98 -3.37 115.15 123.42 2dn4 h HIS 83 Ca -0.36 0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.13 2dn4 h HIS 83 Cb 1.18 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.48 2dn4 h HIS 83 CO 0.56 0.82 0.16 1.05 0.86 0.00 0.00 177.93 181.38 2dn4 h GLU 84 N -1.00 0.07 -1.01 2.45 4.11 -1.98 1.41 114.58 118.62 2dn4 h GLU 84 Ca -0.17 -0.00 0.33 0.00 0.07 0.00 0.00 59.36 59.58 2dn4 h GLU 84 Cb 0.90 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.99 2dn4 h GLU 84 CO -0.10 0.04 0.58 -0.07 0.07 0.00 0.00 179.01 179.53 2dn4 h LEU 85 N 0.07 0.50 0.69 3.06 3.38 -2.00 0.29 115.31 121.30 2dn4 h LEU 85 Ca 0.61 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.74 2dn4 h LEU 85 Cb 1.32 0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.22 2dn4 h LEU 85 CO -0.82 -0.14 -0.33 -0.07 0.09 0.00 0.00 178.44 177.17 2dn4 h LEU 86 N 0.31 -0.78 -2.66 1.67 3.38 0.17 -3.48 115.31 113.92 2dn4 h LEU 86 Ca 0.74 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.72 2dn4 h LEU 86 Cb 1.72 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 2dn4 h LEU 86 CO -0.60 -0.51 -0.94 -3.20 0.09 0.00 0.00 178.44 173.28 2dn4 n ASN 87 N -5.46 -5.94 -2.69 -0.43 2.85 0.10 -5.02 115.26 98.67 2dn4 n ASN 87 Ca -0.13 1.03 -0.00 0.00 -0.11 0.00 0.00 54.58 55.37 2dn4 n ASN 87 Cb 0.38 -3.53 0.02 0.00 1.24 0.00 0.00 39.78 37.89 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2dn4 s SER 88 N -0.95 -0.15 0.04 1.20 0.01 -1.26 -5.04 113.70 107.56 2dn4 s SER 88 Ca -0.06 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.93 2dn4 s SER 88 Cb 0.00 0.20 -0.32 0.00 0.21 0.00 0.00 66.02 66.11 2dn4 s SER 88 CO 0.41 -0.01 1.06 0.71 0.41 0.00 0.00 173.24 175.82 2dn4 h THR 89 N 2.85 1.28 -3.00 1.44 1.35 -2.02 -3.45 112.91 111.36 2dn4 h THR 89 Ca -0.03 -2.56 -0.65 0.00 -0.55 0.00 0.00 66.41 62.62 2dn4 h THR 89 Cb 1.22 2.85 -0.08 0.00 -1.73 0.00 0.00 68.15 70.41 2dn4 h THR 89 CO -0.11 0.78 -0.55 -0.60 -0.25 0.00 0.00 175.52 174.79 2dn4 s ARG 90 N -2.82 3.19 0.05 4.72 3.00 -1.26 -5.11 118.95 120.72 2dn4 s ARG 90 Ca -0.09 -0.45 0.09 0.00 -1.00 0.00 0.00 55.73 54.27 2dn4 s ARG 90 Cb 0.05 -2.93 -0.03 0.00 0.00 0.00 0.00 34.95 32.04 2dn4 s ARG 90 CO 0.94 0.65 -0.23 -1.83 0.00 0.00 0.00 175.30 174.82 2dn4 s GLU 91 N -1.91 1.88 -0.28 5.12 -1.05 -1.26 -5.12 118.70 116.07 2dn4 s GLU 91 Ca 0.26 -1.07 -0.24 0.00 -0.15 0.00 0.00 54.97 53.76 2dn4 s GLU 91 Cb -0.12 -2.05 0.12 0.00 -0.44 0.00 0.00 34.13 31.64 2dn4 s GLU 91 CO 0.17 0.52 1.03 0.16 0.95 0.00 0.00 175.26 178.09 2dn4 s ASP 92 N -1.35 -0.45 -0.30 0.83 1.47 -1.26 -5.15 116.67 110.45 2dn4 s ASP 92 Ca 0.13 0.86 -0.13 0.00 1.18 0.00 0.00 52.55 54.59 2dn4 s ASP 92 Cb -0.10 0.89 0.17 0.00 -0.34 0.00 0.00 42.92 43.54 2dn4 s ASP 92 CO 0.03 -0.15 0.98 -0.22 0.68 0.00 0.00 175.17 176.49 2dn4 s LEU 93 N 0.30 -0.61 -0.22 2.11 2.96 -1.26 -5.08 118.68 116.89 2dn4 s LEU 93 Ca 0.02 0.56 -0.36 0.00 -0.22 0.00 0.00 54.13 54.14 2dn4 s LEU 93 Cb -0.05 1.58 0.15 0.00 0.50 0.00 0.00 46.19 48.37 2dn4 s LEU 93 CO -0.07 -0.11 1.30 -0.94 -1.32 0.00 0.00 176.35 175.21 2dn4 s SER 94 N 2.71 -0.07 -0.06 3.68 1.04 -1.26 -5.19 113.70 114.54 2dn4 s SER 94 Ca 0.01 -0.01 -0.32 0.00 0.48 0.00 0.00 55.95 56.11 2dn4 s SER 94 Cb -0.09 0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.24 2dn4 s SER 94 CO -0.15 -0.13 1.30 -0.83 0.98 0.00 0.00 173.24 174.41 2dn4 s GLY 95 N -2.21 -0.40 0.42 7.32 0.00 -1.26 -5.16 107.32 106.03 2dn4 s GLY 95 Ca 0.11 0.91 -0.23 0.00 0.00 0.00 0.00 44.72 45.51 2dn4 s GLY 95 CO -0.04 0.21 1.05 2.56 0.00 0.00 0.00 173.10 176.88 2dn4 s PRO 96 N -2.36 4.09 0.19 2.90 0.04 -1.26 -4.96 135.00 133.64 2dn4 s PRO 96 Ca 0.13 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2dn4 s PRO 96 Cb 0.04 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2dn4 s PRO 96 CO -0.04 -0.20 0.00 0.45 0.04 0.00 0.00 177.00 177.25 2dn4 n SER 97 N -0.24 0.45 0.19 6.66 2.88 -1.26 -5.08 113.62 117.23 2dn4 n SER 97 Ca 0.06 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dn4 n SER 97 Cb 0.50 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2dn4 n SER 97 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn4 n SER 98 N -3.44 -3.23 0.00 -3.46 7.64 -1.26 -5.38 113.62 104.49 2dn4 n SER 98 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2dn4 n SER 98 Cb 0.00 3.09 0.00 0.00 -1.01 0.00 0.00 64.21 66.29 2dn4 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64