#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 1.14 -2.21 1.61 2.88 -1.26 -4.20 113.62 111.58 2dn4 n SER 2 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2dn4 n SER 2 Cb 0.00 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 2dn4 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn4 n SER 3 N 1.82 -8.98 0.00 -3.46 7.64 -1.26 -5.08 113.62 104.31 2dn4 n SER 3 Ca 0.14 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.70 2dn4 n SER 3 Cb 0.26 -4.90 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 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 1.71 3.33 2.41 0.23 0.00 -1.26 -5.03 105.19 106.58 2dn4 n GLY 4 Ca 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.90 -4.05 1.61 2.88 -1.26 -5.03 113.62 103.87 2dn4 n SER 5 Ca 0.00 1.46 -0.26 0.00 -1.33 0.00 0.00 58.87 58.73 2dn4 n SER 5 Cb 0.00 -4.97 -0.17 0.00 -0.75 0.00 0.00 64.21 58.33 2dn4 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn4 s SER 6 N -0.59 2.06 0.41 -3.46 1.04 -1.26 -5.04 113.70 106.85 2dn4 s SER 6 Ca -0.16 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2dn4 s SER 6 Cb 0.01 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 2dn4 s SER 6 CO 0.44 0.04 0.14 0.61 0.98 0.00 0.00 173.24 175.45 2dn4 n GLY 7 N 3.89 3.24 0.21 7.32 0.00 -1.26 -4.99 105.19 113.60 2dn4 n GLY 7 Ca -0.21 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.97 -0.97 0.99 3.38 -1.98 0.37 115.31 116.12 2dn4 h LEU 8 Ca -0.32 0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.92 2dn4 h LEU 8 Cb 1.21 0.41 -0.15 0.00 0.09 0.00 0.00 40.66 42.23 2dn4 h LEU 8 CO 0.51 -0.15 -0.43 -1.14 0.09 0.00 0.00 178.44 177.31 2dn4 n ARG 9 N -4.03 -0.28 -0.27 1.13 0.63 -1.26 0.18 116.66 112.76 2dn4 n ARG 9 Ca -0.00 1.49 0.04 0.00 -0.92 0.00 0.00 57.85 58.45 2dn4 n ARG 9 Cb 0.14 -2.21 0.17 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 0.60 -0.09 -0.14 3.64 -1.34 1.43 116.57 120.67 2dn4 h LYS 10 Ca 0.29 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2dn4 h LYS 10 Cb 0.54 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2dn4 h LYS 10 CO -0.95 0.40 -0.04 1.96 -2.27 0.00 0.00 179.45 178.54 2dn4 h GLN 11 N 0.62 -0.03 -0.31 1.90 4.20 0.59 0.18 115.11 122.26 2dn4 h GLN 11 Ca 0.40 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.04 2dn4 h GLN 11 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2dn4 h GLN 11 CO -0.31 -0.02 -0.07 0.28 -0.67 0.00 0.00 178.83 178.04 2dn4 h VAL 12 N -0.03 1.28 -0.18 -0.54 2.07 0.70 0.49 116.25 120.05 2dn4 h VAL 12 Ca 0.05 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2dn4 h VAL 12 Cb 0.10 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 2dn4 h VAL 12 CO -0.11 0.36 -0.30 -0.33 0.02 0.00 0.00 177.57 177.21 2dn4 h GLU 13 N 0.37 -0.33 -0.40 1.57 5.08 0.23 1.44 114.58 122.53 2dn4 h GLU 13 Ca 0.08 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2dn4 h GLU 13 Cb 0.56 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2dn4 h GLU 13 CO 0.03 -0.22 -0.06 0.93 -1.00 0.00 0.00 179.01 178.69 2dn4 h GLU 14 N -0.34 0.67 0.67 2.33 4.39 -0.60 -2.79 114.58 118.91 2dn4 h GLU 14 Ca 0.11 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2dn4 h GLU 14 Cb 0.52 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2dn4 h GLU 14 CO -0.37 0.73 -0.32 1.25 -1.16 0.00 0.00 179.01 179.14 2dn4 h LEU 15 N 0.62 -0.76 -0.94 1.33 5.85 0.63 0.07 115.31 122.11 2dn4 h LEU 15 Ca 0.12 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.00 2dn4 h LEU 15 Cb 0.48 0.20 -0.17 0.00 0.37 0.00 0.00 40.66 41.54 2dn4 h LEU 15 CO 0.02 -0.42 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.15 2dn4 h PHE 16 N -1.13 -0.74 0.10 1.25 -1.00 0.20 0.24 116.94 115.85 2dn4 h PHE 16 Ca -0.09 0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2dn4 h PHE 16 Cb 0.73 0.47 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2dn4 h PHE 16 CO 0.00 -0.41 -0.05 0.93 -1.61 0.00 0.00 178.31 177.18 2dn4 h GLU 17 N -0.01 -0.13 -0.65 1.51 5.08 -1.44 -2.66 114.58 116.27 2dn4 h GLU 17 Ca 0.40 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 2dn4 h GLU 17 Cb 0.65 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 2dn4 h GLU 17 CO -0.96 0.04 -0.42 0.00 -1.00 0.00 0.00 179.01 176.67 2dn4 h ARG 18 N -0.27 -0.04 -0.25 2.33 2.47 0.15 1.58 114.38 120.34 2dn4 h ARG 18 Ca -0.01 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.75 2dn4 h ARG 18 Cb 0.23 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.49 2dn4 h ARG 18 CO 0.02 -0.03 -0.51 0.87 0.56 0.00 0.00 179.97 180.89 2dn4 h LYS 19 N -0.04 -0.44 -0.40 0.04 1.79 -1.19 0.94 116.57 117.28 2dn4 h LYS 19 Ca 0.10 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.69 2dn4 h LYS 19 Cb 0.31 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 2dn4 h LYS 19 CO -0.63 -0.29 -0.19 -0.92 -1.08 0.00 0.00 179.45 176.33 2dn4 h TYR 20 N -0.46 -0.49 -0.99 -1.35 3.20 -0.71 0.37 116.97 116.55 2dn4 h TYR 20 Ca 0.05 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.05 2dn4 h TYR 20 Cb 0.59 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 2dn4 h TYR 20 CO -0.65 -0.27 0.63 0.00 -1.64 0.00 0.00 178.16 176.23 2dn4 h ALA 21 N 1.15 1.42 -0.68 1.82 0.00 0.34 -0.17 119.26 123.14 2dn4 h ALA 21 Ca 0.19 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2dn4 h ALA 21 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2dn4 h ALA 21 CO -0.47 0.34 0.16 1.96 0.00 0.00 0.00 179.25 181.23 2dn4 h GLN 22 N 1.08 1.08 0.00 0.00 1.08 0.36 1.91 115.11 120.62 2dn4 h GLN 22 Ca 0.45 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2dn4 h GLN 22 Cb 0.30 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2dn4 h GLN 22 CO -0.21 0.95 0.00 0.00 -0.95 0.00 0.00 178.83 178.62 2dn4 h ALA 23 N 1.14 1.00 0.00 3.87 0.00 0.14 -0.08 119.26 125.33 2dn4 h ALA 23 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dn4 h ALA 23 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dn4 h ALA 23 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2dn4 n ILE 24 N -2.38 0.56 -3.58 0.00 -5.35 -0.33 -4.98 119.36 103.31 2dn4 n ILE 24 Ca -0.00 -0.68 -0.26 0.00 -0.27 0.00 0.00 62.75 61.54 2dn4 n ILE 24 Cb 0.11 0.78 0.05 0.00 -1.74 0.00 0.00 39.64 38.84 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 -0.28 -1.87 -3.87 6.28 4.76 0.53 -4.96 118.16 118.75 2dn4 n LYS 25 Ca 0.00 0.58 -0.36 0.00 -2.87 0.00 0.00 58.31 55.66 2dn4 n LYS 25 Cb 0.23 -4.67 -0.13 0.00 -1.84 0.00 0.00 35.03 28.61 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 2.95 -0.43 7.82 0.00 0.51 -4.95 121.76 124.19 2dn4 s ALA 26 Ca 0.42 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2dn4 s ALA 26 Cb -0.12 -1.84 0.48 0.00 0.00 0.00 0.00 23.12 21.64 2dn4 s ALA 26 CO 0.83 -0.43 1.40 1.17 0.00 0.00 0.00 175.76 178.73 2dn4 n LYS 27 N 4.80 2.83 -4.27 0.00 4.81 -1.26 -4.49 118.16 120.57 2dn4 n LYS 27 Ca -0.17 -1.95 -0.15 0.00 -0.87 0.00 0.00 58.31 55.17 2dn4 n LYS 27 Cb 0.51 -1.89 -0.10 0.00 0.02 0.00 0.00 35.03 33.57 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 -0.47 1.63 -0.21 3.14 0.00 -1.26 -5.12 107.32 105.03 2dn4 s GLY 28 Ca 0.35 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 2dn4 s GLY 28 CO 0.09 -1.52 1.30 2.56 0.00 0.00 0.00 173.10 175.52 2dn4 s PRO 29 N -4.08 4.11 0.28 2.90 0.04 -1.26 -4.93 135.00 132.06 2dn4 s PRO 29 Ca 0.38 1.53 0.09 0.00 0.04 0.00 0.00 61.00 63.04 2dn4 s PRO 29 Cb 0.08 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2dn4 s PRO 29 CO 0.13 -0.87 0.05 0.14 0.04 0.00 0.00 177.00 176.49 2dn4 s VAL 30 N 3.88 3.43 -0.11 -0.36 -7.23 -1.26 -5.13 120.40 113.62 2dn4 s VAL 30 Ca 0.56 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 2dn4 s VAL 30 Cb -0.20 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2dn4 s VAL 30 CO 0.18 -0.32 0.08 -0.89 -0.31 0.00 0.00 175.10 173.84 2dn4 s THR 31 N -2.33 4.95 -0.34 5.32 2.01 -1.26 -4.84 115.64 119.14 2dn4 s THR 31 Ca 0.33 -0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 2dn4 s THR 31 Cb -0.05 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2dn4 s THR 31 CO 0.21 0.60 0.39 -0.63 -0.69 0.00 0.00 174.62 174.49 2dn4 s ILE 32 N -0.81 5.14 -0.22 1.82 1.01 -1.26 -5.03 121.20 121.85 2dn4 s ILE 32 Ca 0.13 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 2dn4 s ILE 32 Cb -0.12 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2dn4 s ILE 32 CO 0.03 -0.11 1.31 -2.16 0.00 0.00 0.00 174.94 174.01 2dn4 s PRO 33 N 2.08 4.09 0.13 2.79 0.04 -1.26 -4.90 135.00 137.96 2dn4 s PRO 33 Ca 0.13 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2dn4 s PRO 33 Cb -0.16 -3.83 -0.12 0.00 0.04 0.00 0.00 34.50 30.42 2dn4 s PRO 33 CO 0.12 -0.90 1.28 1.88 0.04 0.00 0.00 177.00 179.42 2dn4 h TYR 34 N 8.80 0.40 0.03 0.56 0.05 -1.98 -3.13 116.97 121.69 2dn4 h TYR 34 Ca -0.27 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.26 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 0.84 1.10 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.04 2dn4 h PRO 35 N 0.12 -0.04 -0.86 4.88 0.13 -1.97 0.06 132.00 134.33 2dn4 h PRO 35 Ca -0.07 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.33 2dn4 h PRO 35 Cb 1.68 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.66 2dn4 h PRO 35 CO 0.16 -0.02 0.16 1.28 -0.23 0.00 0.00 178.00 179.34 2dn4 n LEU 36 N -2.33 0.02 -0.06 1.56 4.77 -1.26 0.21 117.00 119.92 2dn4 n LEU 36 Ca -0.00 1.45 -0.14 0.00 -0.03 0.00 0.00 56.01 57.29 2dn4 n LEU 36 Cb 0.01 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 2dn4 n LEU 36 CO 0.01 -1.51 0.55 -0.26 -1.33 0.00 0.00 177.39 174.85 2dn4 h PHE 37 N 0.00 0.56 -0.63 -1.77 -1.00 -1.64 -1.39 116.94 111.07 2dn4 h PHE 37 Ca 0.59 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 61.15 2dn4 h PHE 37 Cb 1.34 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.76 2dn4 h PHE 37 CO -0.30 0.86 0.27 0.37 -1.61 0.00 0.00 178.31 177.90 2dn4 h GLN 38 N 0.09 0.91 0.00 1.51 4.15 0.46 0.21 115.11 122.44 2dn4 h GLN 38 Ca 0.02 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.21 2dn4 h GLN 38 Cb 0.80 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2dn4 h GLN 38 CO 0.05 0.73 -0.46 1.03 -1.93 0.00 0.00 178.83 178.25 2dn4 h SER 39 N 0.90 0.00 -2.09 -0.69 0.87 0.18 -3.32 113.55 109.40 2dn4 h SER 39 Ca 0.22 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.20 2dn4 h SER 39 Cb 0.14 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.70 2dn4 h SER 39 CO -0.02 0.46 -0.86 1.41 -0.53 0.00 0.00 176.83 177.28 2dn4 n HIS 40 N -3.67 1.56 1.17 2.24 8.25 -0.53 -4.86 115.22 119.38 2dn4 n HIS 40 Ca -0.01 -3.85 0.14 0.00 -0.26 0.00 0.00 57.72 53.75 2dn4 n HIS 40 Cb 0.54 -0.45 0.65 0.00 1.12 0.00 0.00 29.99 31.84 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 1.13 0.00 0.53 1.59 0.24 -0.05 -0.23 118.33 121.54 2dn4 n VAL 41 Ca 0.25 -0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.67 2dn4 n VAL 41 Cb 0.47 -0.44 0.16 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.03 0.00 0.00 7.34 5.08 -1.89 -3.41 114.58 121.73 2dn4 h GLU 42 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2dn4 h GLU 42 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2dn4 h GLU 42 CO 0.00 0.00 -0.36 -0.25 -1.00 0.00 0.00 179.01 177.40 2dn4 n ASP 43 N -2.16 1.11 -4.54 1.42 9.92 -1.11 -4.97 116.55 116.22 2dn4 n ASP 43 Ca 0.03 0.15 -0.41 0.00 -0.53 0.00 0.00 54.79 54.03 2dn4 n ASP 43 Cb 0.45 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.48 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 -7.01 4.47 -0.01 0.64 1.43 0.68 -2.31 118.68 116.58 2dn4 s LEU 44 Ca -0.05 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2dn4 s LEU 44 Cb 0.01 -2.47 0.07 0.00 0.03 0.00 0.00 46.19 43.83 2dn4 s LEU 44 CO 0.08 -0.46 0.64 -0.72 0.23 0.00 0.00 176.35 176.12 2dn4 s TYR 45 N 2.24 -0.61 0.04 0.29 -0.85 -1.13 -4.02 117.35 113.31 2dn4 s TYR 45 Ca 0.15 0.93 -0.11 0.00 -0.52 0.00 0.00 57.07 57.52 2dn4 s TYR 45 Cb -0.16 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.54 2dn4 s TYR 45 CO 0.13 -0.64 0.39 0.08 -1.52 0.00 0.00 175.55 173.98 2dn4 s VAL 46 N -1.68 5.10 0.43 -3.49 1.01 -1.26 -1.94 120.40 118.57 2dn4 s VAL 46 Ca -0.09 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2dn4 s VAL 46 Cb -0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2dn4 s VAL 46 CO 0.05 0.40 0.11 -1.61 0.00 0.00 0.00 175.10 174.06 2dn4 s GLU 47 N -1.60 1.98 0.00 2.72 2.02 0.51 -4.77 118.70 119.56 2dn4 s GLU 47 Ca 0.29 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 53.06 2dn4 s GLU 47 Cb -0.15 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.34 2dn4 s GLU 47 CO 0.16 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.38 2dn4 n GLY 48 N -0.97 0.76 3.76 -1.39 0.00 -1.26 0.12 105.19 106.22 2dn4 n GLY 48 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.49 0.00 0.99 1.43 -1.26 -2.90 118.68 120.43 2dn4 s LEU 49 Ca 0.00 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 2dn4 s LEU 49 Cb 0.00 -4.57 0.17 0.00 0.03 0.00 0.00 46.19 41.82 2dn4 s LEU 49 CO 0.00 -1.62 0.78 -0.81 0.23 0.00 0.00 176.35 174.93 2dn4 n PRO 50 N -2.12 -1.60 -2.93 1.29 -0.04 -1.26 -5.00 135.00 123.34 2dn4 n PRO 50 Ca 0.11 -1.22 -0.40 0.00 -0.04 0.00 0.00 63.50 61.95 2dn4 n PRO 50 Cb 0.51 -0.96 -0.06 0.00 -0.04 0.00 0.00 33.50 32.95 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 -4.73 4.60 -0.92 0.54 2.12 -1.26 -3.62 118.70 115.44 2dn4 s GLU 51 Ca 0.47 1.21 0.00 0.00 0.36 0.00 0.00 54.97 57.01 2dn4 s GLU 51 Cb -0.03 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2dn4 s GLU 51 CO 0.34 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.97 2dn4 n GLY 52 N 1.75 -0.02 2.84 -1.50 0.00 -1.26 -4.99 105.19 102.02 2dn4 n GLY 52 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.52 -0.50 0.00 -0.61 1.01 -1.24 -5.09 121.20 112.25 2dn4 s ILE 53 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 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 -0.42 0.00 -0.81 0.00 0.00 0.00 174.94 173.71 2dn4 n PRO 54 N 4.88 0.72 -3.58 2.79 -0.04 -1.26 -4.31 135.00 134.20 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 -0.06 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.18 3.64 0.14 0.54 5.36 -1.26 -5.00 117.98 121.22 2dn4 s PHE 55 Ca 0.00 -2.60 -0.01 0.00 -0.96 0.00 0.00 56.93 53.36 2dn4 s PHE 55 Cb 0.00 -3.40 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 2dn4 s PHE 55 CO 0.00 -0.86 0.06 1.03 -1.46 0.00 0.00 175.22 173.98 2dn4 s ARG 56 N -0.36 0.98 -0.17 10.12 1.81 -1.26 -5.01 118.95 125.06 2dn4 s ARG 56 Ca 0.20 -1.47 -0.37 0.00 -1.72 0.00 0.00 55.73 52.37 2dn4 s ARG 56 Cb -0.14 0.17 -0.17 0.00 -0.45 0.00 0.00 34.95 34.35 2dn4 s ARG 56 CO -0.07 -0.25 1.11 0.54 -0.68 0.00 0.00 175.30 175.94 2dn4 n ARG 57 N -0.13 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.80 2dn4 n ARG 57 Ca -0.05 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 2dn4 n ARG 57 Cb 0.64 -1.30 0.67 0.00 -1.02 0.00 0.00 32.46 31.45 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 2.15 0.75 -0.09 5.56 -0.04 -1.26 -2.17 135.00 139.91 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 0.02 -1.47 0.30 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.97 2.45 -0.00 3.54 3.41 -1.26 -3.82 113.62 116.98 2dn4 n SER 59 Ca 0.17 -1.82 0.01 0.00 -0.26 0.00 0.00 58.87 56.97 2dn4 n SER 59 Cb 0.08 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 2dn4 n SER 59 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2dn4 n THR 60 N 0.86 0.00 -1.73 6.66 5.66 -0.92 -5.04 114.28 119.76 2dn4 n THR 60 Ca 0.17 -0.41 -0.31 0.00 -3.05 0.00 0.00 64.05 60.46 2dn4 n THR 60 Cb 0.47 0.93 0.03 0.00 -1.55 0.00 0.00 70.33 70.21 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 -1.29 3.35 0.71 1.09 2.02 -1.24 -5.05 117.35 116.95 2dn4 s TYR 61 Ca 0.00 1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.96 2dn4 s TYR 61 Cb 0.01 -2.81 0.02 0.00 -0.40 0.00 0.00 41.96 38.78 2dn4 s TYR 61 CO 0.07 -0.97 1.09 0.20 -1.57 0.00 0.00 175.55 174.37 2dn4 s GLY 62 N -3.92 1.63 0.20 0.71 0.00 -1.26 -4.82 107.32 99.87 2dn4 s GLY 62 Ca 0.57 -0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.94 2dn4 s GLY 62 CO 0.54 0.12 1.81 -2.22 0.00 0.00 0.00 173.10 173.34 2dn4 h ILE 63 N -0.71 0.99 -0.02 0.90 2.04 -1.98 0.28 117.51 119.00 2dn4 h ILE 63 Ca -0.45 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 64.99 2dn4 h ILE 63 Cb 1.25 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2dn4 h ILE 63 CO 0.62 0.12 -0.81 1.55 0.00 0.00 0.00 178.15 179.63 2dn4 h PRO 64 N 0.68 0.24 -0.51 2.37 0.13 -2.00 -2.50 132.00 130.41 2dn4 h PRO 64 Ca 0.28 -0.23 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2dn4 h PRO 64 Cb 0.15 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 2dn4 h PRO 64 CO -0.16 0.93 0.01 0.00 -0.23 0.00 0.00 178.00 178.55 2dn4 h ARG 65 N 0.15 0.85 -0.01 0.86 3.08 -1.70 -2.67 114.38 114.93 2dn4 h ARG 65 Ca -0.04 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2dn4 h ARG 65 Cb 1.41 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 2dn4 h ARG 65 CO 0.13 0.84 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.79 2dn4 h LEU 66 N 0.79 0.03 -0.67 3.04 3.38 -0.44 -2.95 115.31 118.49 2dn4 h LEU 66 Ca 0.15 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.73 2dn4 h LEU 66 Cb 0.46 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2dn4 h LEU 66 CO 0.02 0.49 -0.54 -0.33 0.09 0.00 0.00 178.44 178.17 2dn4 h GLU 67 N -0.43 -0.21 -0.47 1.13 5.08 -1.30 0.11 114.58 118.49 2dn4 h GLU 67 Ca 0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2dn4 h GLU 67 Cb 0.48 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2dn4 h GLU 67 CO 0.00 -0.14 -0.26 0.00 -1.00 0.00 0.00 179.01 177.62 2dn4 h ARG 68 N -0.21 -0.15 -1.02 2.33 3.08 -1.52 0.60 114.38 117.49 2dn4 h ARG 68 Ca 0.13 0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.44 2dn4 h ARG 68 Cb 0.53 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.51 2dn4 h ARG 68 CO -0.75 -0.10 0.65 0.82 -1.07 0.00 0.00 179.97 179.52 2dn4 h ILE 69 N -0.16 0.56 -0.05 2.04 2.04 -0.70 1.33 117.51 122.58 2dn4 h ILE 69 Ca 0.21 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.74 2dn4 h ILE 69 Cb 0.49 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2dn4 h ILE 69 CO -0.56 0.09 -0.73 -0.07 0.00 0.00 0.00 178.15 176.88 2dn4 h LEU 70 N 0.47 0.31 -0.19 1.44 3.38 0.19 0.19 115.31 121.09 2dn4 h LEU 70 Ca 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2dn4 h LEU 70 Cb 1.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2dn4 h LEU 70 CO -0.32 0.94 0.00 -0.07 0.09 0.00 0.00 178.44 179.07 2dn4 h LEU 71 N 0.17 0.00 -0.99 1.67 3.38 0.47 -2.72 115.31 117.30 2dn4 h LEU 71 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dn4 h LEU 71 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2dn4 h LEU 71 CO 0.11 0.00 -0.38 0.00 0.09 0.00 0.00 178.44 178.26 2dn4 n ALA 72 N -1.83 3.31 -0.32 1.53 0.00 0.32 -4.42 120.51 119.10 2dn4 n ALA 72 Ca 0.05 -0.59 0.16 0.00 0.00 0.00 0.00 53.44 53.05 2dn4 n ALA 72 Cb 0.40 -0.67 0.35 0.00 0.00 0.00 0.00 19.45 19.53 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 2.21 0.42 -0.07 0.00 2.10 -0.63 2.31 116.57 122.92 2dn4 h LYS 73 Ca 0.00 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2dn4 h LYS 73 Cb 0.66 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2dn4 h LYS 73 CO 0.00 0.28 0.17 0.93 -2.00 0.00 0.00 179.45 178.83 2dn4 h GLU 74 N 0.44 0.00 0.00 0.07 5.08 -1.78 -2.09 114.58 116.30 2dn4 h GLU 74 Ca 0.61 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.71 2dn4 h GLU 74 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 2dn4 h GLU 74 CO -0.53 0.00 -1.99 0.54 -1.00 0.00 0.00 179.01 176.03 2dn4 n ARG 75 N -3.30 0.87 -1.26 2.33 1.74 0.66 -5.01 116.66 112.69 2dn4 n ARG 75 Ca -0.01 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 2dn4 n ARG 75 Cb 0.25 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.85 0.93 -3.58 0.55 5.41 0.51 -4.00 119.36 116.33 2dn4 n ILE 76 Ca -0.29 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 62.85 2dn4 n ILE 76 Cb 0.87 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.74 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 -0.95 0.82 -0.34 0.38 3.52 0.33 -4.79 118.95 117.91 2dn4 s ARG 77 Ca 0.58 0.49 -0.05 0.00 -0.13 0.00 0.00 55.73 56.61 2dn4 s ARG 77 Cb -0.68 0.39 0.05 0.00 -1.56 0.00 0.00 34.95 33.16 2dn4 s ARG 77 CO 0.58 -0.20 0.10 -0.06 -0.81 0.00 0.00 175.30 174.92 2dn4 s PHE 78 N -0.52 3.29 -0.31 5.12 0.40 -1.26 0.19 117.98 124.89 2dn4 s PHE 78 Ca -0.04 -1.63 -0.21 0.00 -0.60 0.00 0.00 56.93 54.46 2dn4 s PHE 78 Cb -0.02 -2.38 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 2dn4 s PHE 78 CO 0.03 -0.78 0.65 0.08 0.70 0.00 0.00 175.22 175.90 2dn4 s VAL 79 N 1.35 4.92 -0.95 -0.44 1.01 -0.82 -4.79 120.40 120.67 2dn4 s VAL 79 Ca -0.01 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 2dn4 s VAL 79 Cb -0.20 -4.02 0.30 0.00 0.00 0.00 0.00 36.38 32.46 2dn4 s VAL 79 CO 0.01 -0.17 1.34 -0.38 0.00 0.00 0.00 175.10 175.91 2dn4 n ILE 80 N 5.43 4.69 -0.06 2.22 2.08 -1.26 -2.83 119.36 129.63 2dn4 n ILE 80 Ca -0.01 -5.78 -0.13 0.00 0.56 0.00 0.00 62.75 57.39 2dn4 n ILE 80 Cb 0.49 -1.98 -0.09 0.00 -0.75 0.00 0.00 39.64 37.31 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 4.88 -0.44 -4.93 0.38 1.79 -1.84 -3.36 116.57 113.05 2dn4 h LYS 81 Ca 0.24 0.03 -0.64 0.00 -2.18 0.00 0.00 60.65 58.10 2dn4 h LYS 81 Cb 0.58 0.10 -0.19 0.00 -1.58 0.00 0.00 32.23 31.14 2dn4 h LYS 81 CO 1.19 -0.29 -0.55 0.15 -1.08 0.00 0.00 179.45 178.86 2dn4 s LYS 82 N -5.40 3.86 -0.13 3.15 -0.14 -1.26 -4.98 119.74 114.84 2dn4 s LYS 82 Ca -0.13 -0.37 -0.07 0.00 -1.36 0.00 0.00 55.97 54.04 2dn4 s LYS 82 Cb 0.07 -3.54 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 2dn4 s LYS 82 CO 0.55 -0.16 -0.11 0.45 -0.76 0.00 0.00 175.35 175.32 2dn4 h HIS 83 N 8.25 0.00 -1.14 3.18 3.86 -1.99 -3.37 115.15 123.94 2dn4 h HIS 83 Ca -0.36 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 59.24 2dn4 h HIS 83 Cb 1.18 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.51 2dn4 h HIS 83 CO 0.72 0.06 0.69 1.05 0.86 0.00 0.00 177.93 181.31 2dn4 h GLU 84 N -1.00 0.15 -0.98 2.45 4.11 -1.93 1.19 114.58 118.56 2dn4 h GLU 84 Ca -0.01 -0.01 0.29 0.00 0.07 0.00 0.00 59.36 59.70 2dn4 h GLU 84 Cb 0.40 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.47 2dn4 h GLU 84 CO -0.01 0.10 0.53 -0.07 0.07 0.00 0.00 179.01 179.63 2dn4 h LEU 85 N 0.15 0.50 0.49 3.06 3.38 -1.99 0.17 115.31 121.06 2dn4 h LEU 85 Ca 0.79 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.91 2dn4 h LEU 85 Cb 2.18 0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.06 2dn4 h LEU 85 CO -0.55 -0.07 -0.24 -0.07 0.09 0.00 0.00 178.44 177.61 2dn4 h LEU 86 N 0.38 -0.56-10.23 1.67 3.38 0.13 -3.44 115.31 106.64 2dn4 h LEU 86 Ca 0.68 -0.06 -0.47 0.00 0.09 0.00 0.00 57.88 58.12 2dn4 h LEU 86 Cb 1.47 0.14 0.19 0.00 0.09 0.00 0.00 40.66 42.55 2dn4 h LEU 86 CO -0.57 -0.25 0.13 0.20 0.09 0.00 0.00 178.44 178.03 2dn4 s ASN 87 N -4.75 2.10 0.42 -0.43 0.01 0.59 -4.96 114.94 107.92 2dn4 s ASN 87 Ca -0.15 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 53.63 2dn4 s ASN 87 Cb 0.03 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.39 2dn4 s ASN 87 CO 0.55 -3.52 0.00 -1.54 -1.51 0.00 0.00 177.10 171.07 2dn4 n SER 88 N -4.47 -3.05 -4.04 -1.22 3.41 -1.26 -4.91 113.62 98.08 2dn4 n SER 88 Ca 0.06 0.78 -0.33 0.00 -0.26 0.00 0.00 58.87 59.12 2dn4 n SER 88 Cb 0.54 2.90 -0.04 0.00 -0.26 0.00 0.00 64.21 67.35 2dn4 n SER 88 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2dn4 n THR 89 N -3.45 -0.52 -1.75 6.66 5.66 -1.26 -3.54 114.28 116.08 2dn4 n THR 89 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2dn4 n THR 89 Cb 0.00 -1.08 -0.01 0.00 -1.55 0.00 0.00 70.33 67.69 2dn4 n THR 89 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2dn4 n ARG 90 N -3.96 -1.05 -2.66 1.09 3.00 -1.26 -4.98 116.66 106.84 2dn4 n ARG 90 Ca 0.07 1.17 -0.41 0.00 -0.00 0.00 0.00 57.85 58.69 2dn4 n ARG 90 Cb 0.48 -1.95 -0.04 0.00 0.00 0.00 0.00 32.46 30.95 2dn4 n ARG 90 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2dn4 s GLU 91 N -0.87 4.68 -0.29 -0.14 2.02 -1.23 -5.03 118.70 117.84 2dn4 s GLU 91 Ca -0.06 1.55 -0.12 0.00 0.02 0.00 0.00 54.97 56.35 2dn4 s GLU 91 Cb 0.00 -3.33 0.11 0.00 0.10 0.00 0.00 34.13 31.02 2dn4 s GLU 91 CO 0.18 0.20 0.67 0.34 0.02 0.00 0.00 175.26 176.68 2dn4 s ASP 92 N -0.19 -1.06 0.52 -0.19 -1.08 -1.26 -5.13 116.67 108.28 2dn4 s ASP 92 Ca 0.47 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 54.04 2dn4 s ASP 92 Cb -0.26 1.95 0.00 0.00 -1.46 0.00 0.00 42.92 43.15 2dn4 s ASP 92 CO 0.32 -0.23 0.00 -0.11 0.52 0.00 0.00 175.17 175.67 2dn4 n LEU 93 N 5.01 -0.87 0.41 -1.34 0.00 -1.26 -4.58 117.00 114.37 2dn4 n LEU 93 Ca -0.15 2.02 -0.19 0.00 0.00 0.00 0.00 56.01 57.70 2dn4 n LEU 93 Cb 0.53 -2.79 -0.09 0.00 0.00 0.00 0.00 43.42 41.07 2dn4 n LEU 93 CO -0.03 -1.92 0.60 -1.28 0.00 0.00 0.00 177.39 174.76 2dn4 h SER 94 N -1.21 -0.87 -3.02 1.96 0.87 -2.05 -3.40 113.55 105.83 2dn4 h SER 94 Ca -0.16 0.02 -0.58 0.00 -1.23 0.00 0.00 61.79 59.85 2dn4 h SER 94 Cb 1.17 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 63.31 2dn4 h SER 94 CO 0.06 -0.61 0.83 -0.83 -0.53 0.00 0.00 176.83 175.76 2dn4 s GLY 95 N -2.08 1.69 1.11 5.77 0.00 -1.26 -5.03 107.32 107.53 2dn4 s GLY 95 Ca -0.18 0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.64 2dn4 s GLY 95 CO 0.60 2.30 1.23 2.56 0.00 0.00 0.00 173.10 179.79 2dn4 s PRO 96 N 3.28 -0.51 -0.28 2.90 0.04 -1.26 -4.95 135.00 134.21 2dn4 s PRO 96 Ca 0.48 -0.33 -0.20 0.00 0.04 0.00 0.00 61.00 60.99 2dn4 s PRO 96 Cb -0.18 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 32.77 2dn4 s PRO 96 CO 0.09 -3.20 0.85 -1.54 0.04 0.00 0.00 177.00 173.25 2dn4 s SER 97 N -4.47 -0.67 0.38 6.66 1.04 -1.26 -5.06 113.70 110.32 2dn4 s SER 97 Ca 0.74 1.16 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2dn4 s SER 97 Cb -0.05 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.30 2dn4 s SER 97 CO 0.55 -0.19 0.00 -1.20 0.98 0.00 0.00 173.24 173.38 2dn4 n SER 98 N 3.31 -3.42 0.00 7.02 7.64 -1.26 -5.14 113.62 121.77 2dn4 n SER 98 Ca -0.17 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2dn4 n SER 98 Cb 0.57 3.26 0.00 0.00 -1.01 0.00 0.00 64.21 67.03 2dn4 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64