#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 0.31 -0.16 1.61 0.15 -1.26 -4.90 113.70 109.46 2dn4 s SER 2 Ca 0.00 -0.89 -0.06 0.00 0.70 0.00 0.00 55.95 55.70 2dn4 s SER 2 Cb 0.00 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2dn4 s SER 2 CO 0.00 -0.68 0.12 -0.24 1.20 0.00 0.00 173.24 173.64 2dn4 n SER 3 N 0.01 -2.58 0.00 5.45 2.88 -1.26 -4.97 113.62 113.16 2dn4 n SER 3 Ca -0.13 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2dn4 n SER 3 Cb 0.62 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 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 0.94 -0.09 3.21 0.46 0.00 -1.26 -5.02 105.19 103.44 2dn4 n GLY 4 Ca -0.20 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 43.97 2dn4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn4 s SER 5 N -0.98 -1.21 -0.13 1.61 0.15 -1.26 -5.04 113.70 106.84 2dn4 s SER 5 Ca 0.00 0.87 -0.06 0.00 0.70 0.00 0.00 55.95 57.47 2dn4 s SER 5 Cb 0.00 2.06 0.06 0.00 -1.71 0.00 0.00 66.02 66.43 2dn4 s SER 5 CO 0.00 -0.23 0.28 -0.55 1.20 0.00 0.00 173.24 173.95 2dn4 s SER 6 N 2.87 -0.11 0.00 5.45 0.15 -1.26 -4.99 113.70 115.81 2dn4 s SER 6 Ca 0.14 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2dn4 s SER 6 Cb -0.14 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2dn4 s SER 6 CO -0.19 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2dn4 n GLY 7 N 4.64 2.10 0.22 9.45 0.00 -1.26 -4.54 105.19 115.81 2dn4 n GLY 7 Ca -0.18 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.09 -0.83 0.99 3.38 -1.97 1.20 115.31 116.99 2dn4 h LEU 8 Ca 0.00 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.26 2dn4 h LEU 8 Cb 0.00 0.47 -0.14 0.00 0.09 0.00 0.00 40.66 41.09 2dn4 h LEU 8 CO 0.00 -0.14 -0.40 -0.09 0.09 0.00 0.00 178.44 177.90 2dn4 h ARG 9 N -0.04 -0.07 -0.42 1.13 2.43 -1.92 0.75 114.38 116.24 2dn4 h ARG 9 Ca 0.07 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2dn4 h ARG 9 Cb 0.23 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2dn4 h ARG 9 CO -0.45 -0.05 0.16 -0.22 -1.51 0.00 0.00 179.97 177.90 2dn4 h LYS 10 N -0.08 0.32 -0.16 0.20 3.64 -1.00 1.42 116.57 120.91 2dn4 h LYS 10 Ca 0.27 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2dn4 h LYS 10 Cb 0.56 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2dn4 h LYS 10 CO -0.86 0.21 -0.12 1.96 -2.27 0.00 0.00 179.45 178.37 2dn4 h GLN 11 N 0.33 -0.13 -0.33 1.90 4.20 0.65 0.45 115.11 122.18 2dn4 h GLN 11 Ca 0.19 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2dn4 h GLN 11 Cb 0.17 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2dn4 h GLN 11 CO -0.19 -0.08 -0.00 0.28 -0.67 0.00 0.00 178.83 178.17 2dn4 h VAL 12 N -0.13 1.26 -0.06 -0.54 2.07 0.85 0.16 116.25 119.86 2dn4 h VAL 12 Ca 0.10 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.70 2dn4 h VAL 12 Cb 0.28 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2dn4 h VAL 12 CO -0.24 0.31 -0.31 -0.33 0.02 0.00 0.00 177.57 177.02 2dn4 h GLU 13 N 0.39 -0.41 -0.15 1.57 5.08 0.26 1.63 114.58 122.94 2dn4 h GLU 13 Ca 0.09 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2dn4 h GLU 13 Cb 0.45 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dn4 h GLU 13 CO 0.02 -0.28 -0.20 0.93 -1.00 0.00 0.00 179.01 178.49 2dn4 h GLU 14 N -0.43 0.26 0.41 2.33 4.39 -0.06 -2.69 114.58 118.79 2dn4 h GLU 14 Ca 0.08 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2dn4 h GLU 14 Cb 0.54 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2dn4 h GLU 14 CO -0.30 0.45 -0.20 1.25 -1.16 0.00 0.00 179.01 179.06 2dn4 h LEU 15 N 0.24 -0.47 -0.78 1.33 5.85 0.84 -1.51 115.31 120.81 2dn4 h LEU 15 Ca 0.04 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.77 2dn4 h LEU 15 Cb 0.49 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.51 2dn4 h LEU 15 CO 0.03 -0.06 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.40 2dn4 h PHE 16 N -0.98 -1.17 0.16 1.25 -1.00 0.24 0.27 116.94 115.72 2dn4 h PHE 16 Ca -0.06 0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.82 2dn4 h PHE 16 Cb 0.55 0.62 -0.02 0.00 3.61 0.00 0.00 35.95 40.72 2dn4 h PHE 16 CO 0.02 -0.40 -0.19 0.93 -1.61 0.00 0.00 178.31 177.06 2dn4 h GLU 17 N -0.10 -0.38 -0.51 1.51 5.08 -1.53 -2.52 114.58 116.13 2dn4 h GLU 17 Ca 0.26 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2dn4 h GLU 17 Cb 0.56 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2dn4 h GLU 17 CO -0.82 -0.25 -0.30 -2.13 -1.00 0.00 0.00 179.01 174.50 2dn4 n ARG 18 N -5.31 -0.23 -0.16 2.33 0.00 -0.01 0.19 116.66 113.47 2dn4 n ARG 18 Ca -0.07 1.19 -0.11 0.00 -0.00 0.00 0.00 57.85 58.85 2dn4 n ARG 18 Cb 0.23 -1.76 -0.07 0.00 0.00 0.00 0.00 32.46 30.86 2dn4 n ARG 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dn4 h LYS 19 N 0.00 -0.32 0.14 -0.14 1.79 -1.18 1.09 116.57 117.95 2dn4 h LYS 19 Ca 0.08 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.59 2dn4 h LYS 19 Cb 0.21 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 2dn4 h LYS 19 CO -0.48 -0.21 -0.43 -0.92 -1.08 0.00 0.00 179.45 176.32 2dn4 h TYR 20 N -0.33 -1.23 -0.90 -1.35 3.20 -0.27 0.31 116.97 116.40 2dn4 h TYR 20 Ca 0.12 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.19 2dn4 h TYR 20 Cb 0.58 0.52 -0.10 0.00 1.54 0.00 0.00 36.73 39.27 2dn4 h TYR 20 CO -0.70 -0.53 0.48 0.00 -1.64 0.00 0.00 178.16 175.76 2dn4 h ALA 21 N -0.24 1.42 -0.82 1.82 0.00 0.30 0.32 119.26 122.06 2dn4 h ALA 21 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2dn4 h ALA 21 Cb 0.70 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2dn4 h ALA 21 CO -0.24 -0.13 0.37 1.96 0.00 0.00 0.00 179.25 181.21 2dn4 h GLN 22 N 0.62 1.20 0.00 0.00 1.08 0.25 1.80 115.11 120.07 2dn4 h GLN 22 Ca 0.52 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 2dn4 h GLN 22 Cb 0.80 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2dn4 h GLN 22 CO -0.40 0.94 -0.05 0.00 -0.95 0.00 0.00 178.83 178.37 2dn4 h ALA 23 N 1.22 1.43 -0.20 3.87 0.00 0.33 0.30 119.26 126.21 2dn4 h ALA 23 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dn4 h ALA 23 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dn4 h ALA 23 CO -0.03 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.72 2dn4 n ILE 24 N -3.76 0.77 -3.59 0.00 -5.35 -0.35 -4.98 119.36 102.10 2dn4 n ILE 24 Ca -0.03 -0.88 -0.27 0.00 -0.27 0.00 0.00 62.75 61.30 2dn4 n ILE 24 Cb 0.14 0.66 0.05 0.00 -1.74 0.00 0.00 39.64 38.74 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 0.30 -1.73 -4.01 6.28 5.02 0.50 -4.96 118.16 119.56 2dn4 n LYS 25 Ca 0.08 0.56 -0.35 0.00 -2.02 0.00 0.00 58.31 56.57 2dn4 n LYS 25 Cb 0.34 -4.57 -0.12 0.00 -0.02 0.00 0.00 35.03 30.65 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 -3.47 3.08 -0.37 7.82 0.00 0.49 -4.95 121.76 124.35 2dn4 s ALA 26 Ca 0.43 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2dn4 s ALA 26 Cb -0.13 -1.84 0.59 0.00 0.00 0.00 0.00 23.12 21.74 2dn4 s ALA 26 CO 0.83 -0.19 1.63 1.17 0.00 0.00 0.00 175.76 179.21 2dn4 n LYS 27 N 4.32 2.95 -4.20 0.00 4.81 -1.26 -4.49 118.16 120.29 2dn4 n LYS 27 Ca -0.17 -2.46 -0.12 0.00 -0.87 0.00 0.00 58.31 54.69 2dn4 n LYS 27 Cb 0.52 -2.02 -0.10 0.00 0.02 0.00 0.00 35.03 33.45 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 -0.74 1.44 -0.23 3.14 0.00 -1.26 -5.12 107.32 104.55 2dn4 s GLY 28 Ca 0.45 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.18 2dn4 s GLY 28 CO 0.11 -1.39 1.31 2.56 0.00 0.00 0.00 173.10 175.68 2dn4 s PRO 29 N -4.15 4.06 0.32 2.90 0.04 -1.26 -4.94 135.00 131.97 2dn4 s PRO 29 Ca 0.39 1.48 0.09 0.00 0.04 0.00 0.00 61.00 63.00 2dn4 s PRO 29 Cb 0.07 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2dn4 s PRO 29 CO 0.12 -0.94 0.08 0.14 0.04 0.00 0.00 177.00 176.45 2dn4 s VAL 30 N 4.02 3.05 -0.03 -0.36 -7.23 -1.26 -5.13 120.40 113.46 2dn4 s VAL 30 Ca 0.57 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 2dn4 s VAL 30 Cb -0.20 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2dn4 s VAL 30 CO 0.20 -0.23 0.09 -0.89 -0.31 0.00 0.00 175.10 173.95 2dn4 s THR 31 N -2.42 4.82 -0.34 5.32 2.01 -1.26 -4.87 115.64 118.91 2dn4 s THR 31 Ca 0.36 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 2dn4 s THR 31 Cb -0.03 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2dn4 s THR 31 CO 0.21 0.41 0.24 -0.63 -0.69 0.00 0.00 174.62 174.16 2dn4 s ILE 32 N -1.15 5.28 -0.24 1.82 1.01 -1.26 -5.04 121.20 121.62 2dn4 s ILE 32 Ca 0.21 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2dn4 s ILE 32 Cb -0.12 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2dn4 s ILE 32 CO 0.12 0.00 1.32 -2.16 0.00 0.00 0.00 174.94 174.22 2dn4 s PRO 33 N 1.74 4.02 0.13 2.79 0.04 -1.26 -4.90 135.00 137.56 2dn4 s PRO 33 Ca 0.06 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2dn4 s PRO 33 Cb -0.17 -3.85 -0.11 0.00 0.04 0.00 0.00 34.50 30.40 2dn4 s PRO 33 CO 0.11 -0.99 1.30 1.88 0.04 0.00 0.00 177.00 179.33 2dn4 h TYR 34 N 9.05 0.40 0.03 0.56 0.05 -1.98 -3.12 116.97 121.95 2dn4 h TYR 34 Ca -0.27 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.27 2dn4 h TYR 34 Cb 1.11 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2dn4 h TYR 34 CO 0.86 1.09 -0.02 -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 -0.05 132.00 134.21 2dn4 h PRO 35 Ca -0.07 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.33 2dn4 h PRO 35 Cb 1.65 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.63 2dn4 h PRO 35 CO 0.16 -0.03 0.12 1.28 -0.23 0.00 0.00 178.00 179.30 2dn4 n LEU 36 N -2.39 -0.01 -0.07 1.56 4.77 -1.26 0.21 117.00 119.82 2dn4 n LEU 36 Ca -0.01 1.46 -0.13 0.00 -0.03 0.00 0.00 56.01 57.30 2dn4 n LEU 36 Cb 0.02 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 2dn4 n LEU 36 CO 0.01 -1.51 0.59 -0.26 -1.33 0.00 0.00 177.39 174.89 2dn4 h PHE 37 N 0.00 0.57 -0.54 -1.77 -1.00 -1.64 0.11 116.94 112.68 2dn4 h PHE 37 Ca 0.57 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 61.15 2dn4 h PHE 37 Cb 1.28 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 2dn4 h PHE 37 CO -0.34 0.84 0.25 0.37 -1.61 0.00 0.00 178.31 177.82 2dn4 h GLN 38 N 0.14 0.78 -0.13 1.51 4.15 0.45 0.43 115.11 122.44 2dn4 h GLN 38 Ca 0.03 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.23 2dn4 h GLN 38 Cb 0.75 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2dn4 h GLN 38 CO 0.05 0.66 -0.34 0.77 -1.93 0.00 0.00 178.83 178.03 2dn4 h SER 39 N 0.72 0.28 -2.24 -0.69 0.02 0.20 -3.30 113.55 108.54 2dn4 h SER 39 Ca 0.18 -0.10 -0.59 0.00 -0.84 0.00 0.00 61.79 60.44 2dn4 h SER 39 Cb 0.14 -0.08 -0.41 0.00 0.14 0.00 0.00 62.40 62.19 2dn4 h SER 39 CO -0.02 0.61 -0.71 1.41 -1.14 0.00 0.00 176.83 176.98 2dn4 n HIS 40 N -4.08 2.63 0.89 3.45 8.25 0.02 -4.84 115.22 121.54 2dn4 n HIS 40 Ca -0.01 -4.02 0.13 0.00 -0.26 0.00 0.00 57.72 53.56 2dn4 n HIS 40 Cb 0.44 -0.50 0.49 0.00 1.12 0.00 0.00 29.99 31.54 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 1.14 0.16 1.35 1.59 0.24 0.09 -0.65 118.33 122.23 2dn4 n VAL 41 Ca 0.27 -0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.62 2dn4 n VAL 41 Cb 0.43 -0.39 0.46 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.71 1.05 0.03 7.34 -0.58 -1.26 -4.37 120.64 121.14 2dn4 n GLU 42 Ca 0.06 -0.58 0.00 0.00 -0.42 0.00 0.00 57.16 56.22 2dn4 n GLU 42 Cb 0.37 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.47 0.41 -4.41 1.62 8.00 -1.13 -4.99 116.55 115.58 2dn4 n ASP 43 Ca 0.15 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.37 2dn4 n ASP 43 Cb 0.34 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 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 -6.36 3.71 -0.00 0.64 1.43 0.17 -1.61 118.68 116.66 2dn4 s LEU 44 Ca 0.00 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 2dn4 s LEU 44 Cb 0.00 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.35 2dn4 s LEU 44 CO 0.00 -0.12 0.60 -0.72 0.23 0.00 0.00 176.35 176.34 2dn4 s TYR 45 N 1.58 -0.54 -0.05 0.29 -0.85 -1.16 -4.10 117.35 112.52 2dn4 s TYR 45 Ca 0.05 0.81 -0.14 0.00 -0.52 0.00 0.00 57.07 57.27 2dn4 s TYR 45 Cb -0.16 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.50 2dn4 s TYR 45 CO 0.04 -0.62 0.36 0.08 -1.52 0.00 0.00 175.55 173.89 2dn4 s VAL 46 N -1.75 5.15 0.46 -3.49 1.01 -1.26 -2.11 120.40 118.40 2dn4 s VAL 46 Ca -0.09 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2dn4 s VAL 46 Cb -0.01 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2dn4 s VAL 46 CO 0.04 0.55 0.08 -1.61 0.00 0.00 0.00 175.10 174.16 2dn4 s GLU 47 N -0.77 2.07 0.00 2.72 2.02 0.51 -4.75 118.70 120.50 2dn4 s GLU 47 Ca 0.22 -2.30 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2dn4 s GLU 47 Cb -0.15 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.09 2dn4 s GLU 47 CO 0.11 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2dn4 n GLY 48 N -1.09 0.77 3.76 -1.39 0.00 -1.26 0.13 105.19 106.12 2dn4 n GLY 48 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 3.30 0.00 0.99 1.43 -1.26 -2.78 118.68 120.36 2dn4 s LEU 49 Ca 0.00 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2dn4 s LEU 49 Cb 0.00 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.68 2dn4 s LEU 49 CO 0.00 -1.84 0.04 -0.81 0.23 0.00 0.00 176.35 173.97 2dn4 n PRO 50 N -2.71 -0.56 -3.24 1.29 -0.04 -1.26 -4.99 135.00 123.49 2dn4 n PRO 50 Ca 0.11 -0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.11 2dn4 n PRO 50 Cb 0.52 -0.05 -0.06 0.00 -0.04 0.00 0.00 33.50 33.87 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 -3.09 4.25 -0.94 0.54 2.12 -1.26 -3.88 118.70 116.44 2dn4 s GLU 51 Ca 0.03 0.76 -0.00 0.00 0.36 0.00 0.00 54.97 56.11 2dn4 s GLU 51 Cb -0.00 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.12 2dn4 s GLU 51 CO 0.02 0.56 0.02 0.41 -0.54 0.00 0.00 175.26 175.73 2dn4 n GLY 52 N 1.93 -0.08 2.81 -1.50 0.00 -1.26 -4.99 105.19 102.10 2dn4 n GLY 52 Ca -0.09 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.58 -0.45 0.00 -0.61 1.01 -1.25 -5.10 121.20 112.22 2dn4 s ILE 53 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2dn4 s ILE 53 Cb -0.01 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2dn4 s ILE 53 CO 0.01 -0.45 0.00 -0.81 0.00 0.00 0.00 174.94 173.70 2dn4 n PRO 54 N 4.96 0.61 -3.60 2.79 -0.04 -1.26 -4.37 135.00 134.10 2dn4 n PRO 54 Ca 0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 2dn4 n PRO 54 Cb 0.47 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 -0.26 3.68 0.17 0.54 5.36 -1.26 -5.01 117.98 121.21 2dn4 s PHE 55 Ca 0.00 -2.69 0.01 0.00 -0.96 0.00 0.00 56.93 53.29 2dn4 s PHE 55 Cb 0.00 -3.37 -0.04 0.00 -0.34 0.00 0.00 43.02 39.27 2dn4 s PHE 55 CO 0.00 -0.84 0.03 1.03 -1.46 0.00 0.00 175.22 173.98 2dn4 s ARG 56 N -0.54 1.09 -0.14 10.12 1.81 -1.26 -5.01 118.95 125.03 2dn4 s ARG 56 Ca 0.22 -1.53 -0.37 0.00 -1.72 0.00 0.00 55.73 52.33 2dn4 s ARG 56 Cb -0.13 -0.09 -0.17 0.00 -0.45 0.00 0.00 34.95 34.10 2dn4 s ARG 56 CO -0.08 -0.20 1.07 0.54 -0.68 0.00 0.00 175.30 175.96 2dn4 n ARG 57 N -0.22 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.71 2dn4 n ARG 57 Ca -0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.13 2dn4 n ARG 57 Cb 0.64 -1.30 0.62 0.00 -1.02 0.00 0.00 32.46 31.40 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 1.98 0.75 -0.25 5.56 -0.04 -1.26 -2.25 135.00 139.49 2dn4 n PRO 58 Ca 0.20 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2dn4 n PRO 58 Cb 0.03 -1.44 0.27 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 -0.94 3.11 0.00 3.54 3.41 -1.26 -3.82 113.62 117.66 2dn4 n SER 59 Ca 0.16 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 2dn4 n SER 59 Cb 0.07 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.22 0.07 -2.99 6.66 5.66 -0.95 -5.06 114.28 118.89 2dn4 n THR 60 Ca 0.20 -0.36 -0.28 0.00 -3.05 0.00 0.00 64.05 60.55 2dn4 n THR 60 Cb 0.51 1.28 -0.02 0.00 -1.55 0.00 0.00 70.33 70.55 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 -0.07 3.50 0.78 1.09 2.02 -1.25 -5.08 117.35 118.34 2dn4 s TYR 61 Ca 0.00 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.39 2dn4 s TYR 61 Cb 0.00 -2.25 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 2dn4 s TYR 61 CO 0.00 -0.05 1.09 0.20 -1.57 0.00 0.00 175.55 175.22 2dn4 s GLY 62 N -3.48 1.63 0.20 0.71 0.00 -1.26 -4.79 107.32 100.33 2dn4 s GLY 62 Ca 0.47 -0.12 -0.10 0.00 0.00 0.00 0.00 44.72 44.97 2dn4 s GLY 62 CO 0.35 0.28 1.81 -2.22 0.00 0.00 0.00 173.10 173.32 2dn4 h ILE 63 N -1.02 0.99 -0.01 0.90 2.04 -1.99 0.22 117.51 118.63 2dn4 h ILE 63 Ca -0.46 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 64.98 2dn4 h ILE 63 Cb 1.25 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2dn4 h ILE 63 CO 0.58 0.12 -0.80 1.55 0.00 0.00 0.00 178.15 179.61 2dn4 h PRO 64 N 0.68 0.18 -0.69 2.37 0.13 -2.00 -2.48 132.00 130.20 2dn4 h PRO 64 Ca 0.28 -0.18 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 2dn4 h PRO 64 Cb 0.15 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.30 2dn4 h PRO 64 CO -0.16 0.89 0.16 0.00 -0.23 0.00 0.00 178.00 178.65 2dn4 h ARG 65 N 0.11 1.12 0.01 0.86 3.08 -1.68 -2.39 114.38 115.49 2dn4 h ARG 65 Ca -0.03 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2dn4 h ARG 65 Cb 1.40 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dn4 h ARG 65 CO 0.12 1.00 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.94 2dn4 h LEU 66 N 1.05 -0.01 -0.48 3.04 3.38 -0.59 -2.86 115.31 118.84 2dn4 h LEU 66 Ca 0.22 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.85 2dn4 h LEU 66 Cb 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 2dn4 h LEU 66 CO 0.00 0.39 -0.49 -0.33 0.09 0.00 0.00 178.44 178.10 2dn4 h GLU 67 N -0.41 -0.25 -0.64 1.13 5.08 -1.31 0.55 114.58 118.74 2dn4 h GLU 67 Ca -0.00 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2dn4 h GLU 67 Cb 0.40 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 2dn4 h GLU 67 CO 0.00 -0.16 -0.25 0.00 -1.00 0.00 0.00 179.01 177.60 2dn4 h ARG 68 N -0.26 -0.08 -1.00 2.33 3.08 -1.47 0.84 114.38 117.82 2dn4 h ARG 68 Ca 0.08 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.34 2dn4 h ARG 68 Cb 0.47 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.43 2dn4 h ARG 68 CO -0.59 -0.05 0.61 0.82 -1.07 0.00 0.00 179.97 179.69 2dn4 h ILE 69 N -0.08 0.66 0.00 2.04 2.04 -0.74 1.28 117.51 122.71 2dn4 h ILE 69 Ca 0.28 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 2dn4 h ILE 69 Cb 0.53 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2dn4 h ILE 69 CO -0.69 0.12 -0.55 -0.07 0.00 0.00 0.00 178.15 176.96 2dn4 h LEU 70 N 0.68 0.00 0.00 1.44 3.38 0.25 0.71 115.31 121.77 2dn4 h LEU 70 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2dn4 h LEU 70 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dn4 h LEU 70 CO -0.38 0.55 -0.14 -0.07 0.09 0.00 0.00 178.44 178.49 2dn4 h LEU 71 N 0.00 0.00 -0.99 1.67 3.38 0.47 -3.02 115.31 116.82 2dn4 h LEU 71 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2dn4 h LEU 71 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dn4 h LEU 71 CO 0.07 0.02 -0.40 0.00 0.09 0.00 0.00 178.44 178.22 2dn4 n ALA 72 N -1.86 3.37 -0.29 1.53 0.00 0.31 -4.43 120.51 119.14 2dn4 n ALA 72 Ca 0.05 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 53.00 2dn4 n ALA 72 Cb 0.45 -0.70 0.27 0.00 0.00 0.00 0.00 19.45 19.48 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 2.25 0.23 -0.21 0.00 2.10 -0.74 2.31 116.57 122.52 2dn4 h LYS 73 Ca 0.00 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.70 2dn4 h LYS 73 Cb 0.68 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 2dn4 h LYS 73 CO 0.00 0.15 0.35 0.93 -2.00 0.00 0.00 179.45 178.89 2dn4 h GLU 74 N 0.24 0.00 0.00 0.07 5.08 -1.80 -1.45 114.58 116.72 2dn4 h GLU 74 Ca 0.53 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.60 2dn4 h GLU 74 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2dn4 h GLU 74 CO -0.62 0.00 -2.11 0.54 -1.00 0.00 0.00 179.01 175.82 2dn4 n ARG 75 N -3.39 0.71 -1.23 2.33 5.12 0.66 -5.01 116.66 115.85 2dn4 n ARG 75 Ca 0.03 0.09 -0.41 0.00 -1.93 0.00 0.00 57.85 55.63 2dn4 n ARG 75 Cb 0.47 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 30.36 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 -2.97 0.94 -3.57 0.55 5.41 0.48 -4.02 119.36 116.19 2dn4 n ILE 76 Ca -0.33 -0.46 -0.14 0.00 1.00 0.00 0.00 62.75 62.81 2dn4 n ILE 76 Cb 0.90 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.77 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 0.85 -0.34 0.38 3.52 0.36 -4.79 118.95 117.99 2dn4 s ARG 77 Ca 0.56 0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 56.59 2dn4 s ARG 77 Cb -0.67 0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.19 2dn4 s ARG 77 CO 0.57 -0.21 0.08 -0.06 -0.81 0.00 0.00 175.30 174.86 2dn4 s PHE 78 N -0.61 3.34 -0.29 5.12 0.40 -1.26 0.19 117.98 124.87 2dn4 s PHE 78 Ca -0.05 -1.87 -0.22 0.00 -0.60 0.00 0.00 56.93 54.19 2dn4 s PHE 78 Cb -0.02 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 2dn4 s PHE 78 CO 0.04 -0.82 0.71 0.08 0.70 0.00 0.00 175.22 175.93 2dn4 s VAL 79 N 1.27 4.88 -0.98 -0.44 1.01 -0.90 -4.78 120.40 120.47 2dn4 s VAL 79 Ca -0.01 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 2dn4 s VAL 79 Cb -0.20 -4.05 0.25 0.00 0.00 0.00 0.00 36.38 32.37 2dn4 s VAL 79 CO -0.01 -0.14 0.95 -0.38 0.00 0.00 0.00 175.10 175.53 2dn4 n ILE 80 N 5.39 3.69 0.38 2.22 2.08 -1.26 -2.99 119.36 128.86 2dn4 n ILE 80 Ca 0.02 -5.28 -0.17 0.00 0.56 0.00 0.00 62.75 57.87 2dn4 n ILE 80 Cb 0.48 -2.41 -0.09 0.00 -0.75 0.00 0.00 39.64 36.88 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 6.06 -1.03 -4.89 0.38 1.79 -1.68 -3.39 116.57 113.81 2dn4 h LYS 81 Ca 0.17 0.07 -0.66 0.00 -2.18 0.00 0.00 60.65 58.05 2dn4 h LYS 81 Cb 0.80 0.23 -0.17 0.00 -1.58 0.00 0.00 32.23 31.52 2dn4 h LYS 81 CO 0.95 -0.69 -0.37 0.15 -1.08 0.00 0.00 179.45 178.41 2dn4 s LYS 82 N -5.57 3.64 -0.18 3.15 -0.14 -1.26 -4.95 119.74 114.43 2dn4 s LYS 82 Ca -0.17 -0.43 -0.21 0.00 -1.36 0.00 0.00 55.97 53.80 2dn4 s LYS 82 Cb 0.03 -3.77 -0.18 0.00 -1.68 0.00 0.00 37.83 32.22 2dn4 s LYS 82 CO 0.53 -0.43 0.29 0.45 -0.76 0.00 0.00 175.35 175.43 2dn4 h HIS 83 N 8.43 0.00 -0.82 3.18 3.86 -1.98 -3.37 115.15 124.45 2dn4 h HIS 83 Ca -0.31 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.09 2dn4 h HIS 83 Cb 1.16 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.51 2dn4 h HIS 83 CO 0.70 1.19 0.29 1.05 0.86 0.00 0.00 177.93 182.02 2dn4 h GLU 84 N -1.00 0.34 -1.41 2.45 4.11 -1.97 0.74 114.58 117.84 2dn4 h GLU 84 Ca -0.23 -0.02 0.41 0.00 0.07 0.00 0.00 59.36 59.59 2dn4 h GLU 84 Cb 1.12 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 2dn4 h GLU 84 CO -0.14 0.22 1.00 -0.07 0.07 0.00 0.00 179.01 180.09 2dn4 h LEU 85 N 0.35 0.07 0.00 3.06 3.38 -1.99 -2.62 115.31 117.56 2dn4 h LEU 85 Ca 0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2dn4 h LEU 85 Cb 0.87 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dn4 h LEU 85 CO -0.52 -0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.18 2dn4 n LEU 86 N -4.21 0.33 -1.87 1.67 4.77 0.25 -5.09 117.00 112.86 2dn4 n LEU 86 Ca 0.32 0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2dn4 n LEU 86 Cb 1.45 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2dn4 n LEU 86 CO 0.38 -0.40 -0.32 -3.20 -1.33 0.00 0.00 177.39 172.53 2dn4 n ASN 87 N -1.97 -6.32 -3.61 -1.43 2.85 -0.58 -5.07 115.26 99.13 2dn4 n ASN 87 Ca 0.00 1.14 -0.07 0.00 -0.11 0.00 0.00 54.58 55.55 2dn4 n ASN 87 Cb 0.00 -3.64 -0.08 0.00 1.24 0.00 0.00 39.78 37.30 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dn4 s SER 88 N -0.38 -0.43 -0.36 1.20 1.04 -1.26 -5.06 113.70 108.46 2dn4 s SER 88 Ca -0.01 1.03 0.14 0.00 0.48 0.00 0.00 55.95 57.58 2dn4 s SER 88 Cb 0.00 1.55 0.38 0.00 0.10 0.00 0.00 66.02 68.05 2dn4 s SER 88 CO 0.04 -0.24 0.83 1.07 0.98 0.00 0.00 173.24 175.92 2dn4 n THR 89 N 5.40 0.20 -4.20 2.02 5.66 -1.26 -5.10 114.28 117.00 2dn4 n THR 89 Ca -0.08 -3.92 -0.28 0.00 -3.05 0.00 0.00 64.05 56.72 2dn4 n THR 89 Cb 0.49 0.13 -0.08 0.00 -1.55 0.00 0.00 70.33 69.32 2dn4 n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dn4 s ARG 90 N -2.47 2.34 -0.49 1.09 3.03 -1.26 -5.08 118.95 116.10 2dn4 s ARG 90 Ca 0.35 -1.05 0.07 0.00 2.03 0.00 0.00 55.73 57.13 2dn4 s ARG 90 Cb 0.38 -2.37 0.19 0.00 -1.03 0.00 0.00 34.95 32.12 2dn4 s ARG 90 CO -0.04 0.48 0.71 -2.00 -1.13 0.00 0.00 175.30 173.32 2dn4 s GLU 91 N -2.64 1.02 0.17 3.89 2.12 -1.26 -5.15 118.70 116.85 2dn4 s GLU 91 Ca 0.25 -0.88 0.07 0.00 0.36 0.00 0.00 54.97 54.77 2dn4 s GLU 91 Cb -0.10 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 2dn4 s GLU 91 CO 0.17 -1.30 -0.00 -0.51 -0.54 0.00 0.00 175.26 173.08 2dn4 s ASP 92 N 1.09 4.77 0.08 -1.70 1.11 -1.26 -5.13 116.67 115.63 2dn4 s ASP 92 Ca 0.27 -0.39 -0.12 0.00 0.18 0.00 0.00 52.55 52.49 2dn4 s ASP 92 Cb -0.01 -1.02 0.01 0.00 1.07 0.00 0.00 42.92 42.98 2dn4 s ASP 92 CO -0.05 0.09 0.26 -1.48 1.18 0.00 0.00 175.17 175.17 2dn4 s LEU 93 N -2.92 1.07 0.00 1.23 -0.00 -1.26 -5.06 118.68 111.74 2dn4 s LEU 93 Ca 0.27 -0.43 0.00 0.00 -0.00 0.00 0.00 54.13 53.97 2dn4 s LEU 93 Cb -0.09 1.27 0.00 0.00 -0.00 0.00 0.00 46.19 47.37 2dn4 s LEU 93 CO 0.18 -0.70 0.00 -0.24 -0.00 0.00 0.00 176.35 175.59 2dn4 n SER 94 N 0.17 -0.02 0.00 1.48 2.88 -1.26 -5.18 113.62 111.69 2dn4 n SER 94 Ca -0.17 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2dn4 n SER 94 Cb 0.61 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 2dn4 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn4 n GLY 95 N 0.58 0.73 3.67 0.46 0.00 -1.26 -4.93 105.19 104.44 2dn4 n GLY 95 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.95 4.28 -0.41 1.61 0.04 -1.26 -4.96 135.00 131.35 2dn4 s PRO 96 Ca 0.00 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.80 2dn4 s PRO 96 Cb 0.00 -3.68 0.18 0.00 0.04 0.00 0.00 34.50 31.03 2dn4 s PRO 96 CO 0.00 -0.61 0.60 0.45 0.04 0.00 0.00 177.00 177.48 2dn4 s SER 97 N 1.81 -1.14 0.94 6.66 0.15 -1.26 -5.15 113.70 115.70 2dn4 s SER 97 Ca 0.56 -0.94 -0.11 0.00 0.70 0.00 0.00 55.95 56.16 2dn4 s SER 97 Cb -0.23 1.76 0.11 0.00 -1.71 0.00 0.00 66.02 65.94 2dn4 s SER 97 CO 0.18 -0.18 0.84 -0.24 1.20 0.00 0.00 173.24 175.04 2dn4 n SER 98 N 4.33 -0.68 0.00 5.45 2.88 -1.26 -5.27 113.62 119.07 2dn4 n SER 98 Ca 0.11 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2dn4 n SER 98 Cb 0.55 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2dn4 n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42