#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 3.93 0.10 1.61 1.04 -1.26 -5.11 113.70 114.01 2dn4 s SER 2 Ca 0.00 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 2dn4 s SER 2 Cb 0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 2dn4 s SER 2 CO 0.00 0.10 0.04 -0.94 0.98 0.00 0.00 173.24 173.42 2dn4 s SER 3 N 0.75 0.35 0.00 7.02 1.04 -1.26 -4.95 113.70 116.66 2dn4 s SER 3 Ca -0.05 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2dn4 s SER 3 Cb -0.15 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2dn4 s SER 3 CO 0.01 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2dn4 n GLY 4 N -0.03 3.09 3.56 7.32 0.00 -1.26 -5.05 105.19 112.83 2dn4 n GLY 4 Ca -0.09 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 5.12 -0.00 1.61 0.15 -1.26 -4.25 113.70 115.08 2dn4 s SER 5 Ca 0.00 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 2dn4 s SER 5 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2dn4 s SER 5 CO 0.00 -2.42 0.02 -0.24 1.20 0.00 0.00 173.24 171.80 2dn4 n SER 6 N 13.28 -8.68 -3.84 5.45 2.88 -1.26 -5.06 113.62 116.39 2dn4 n SER 6 Ca 0.25 1.83 -0.12 0.00 -1.33 0.00 0.00 58.87 59.51 2dn4 n SER 6 Cb 0.52 -5.23 -0.12 0.00 -0.75 0.00 0.00 64.21 58.63 2dn4 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn4 s GLY 7 N -0.61 -0.06 0.05 0.46 0.00 -1.26 -5.05 107.32 100.86 2dn4 s GLY 7 Ca -0.03 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 2dn4 s GLY 7 CO 0.08 0.16 1.19 1.41 0.00 0.00 0.00 173.10 175.93 2dn4 h LEU 8 N 5.46 -0.74 -0.95 0.66 3.38 -1.97 0.91 115.31 122.06 2dn4 h LEU 8 Ca -0.27 0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2dn4 h LEU 8 Cb 1.20 0.32 -0.13 0.00 0.09 0.00 0.00 40.66 42.14 2dn4 h LEU 8 CO 0.41 -0.08 -0.51 -0.09 0.09 0.00 0.00 178.44 178.26 2dn4 h ARG 9 N -0.01 -0.03 -0.67 1.13 2.43 -1.97 0.94 114.38 116.20 2dn4 h ARG 9 Ca 0.05 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2dn4 h ARG 9 Cb 0.15 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 2dn4 h ARG 9 CO -0.31 -0.02 0.26 -0.22 -1.51 0.00 0.00 179.97 178.17 2dn4 h LYS 10 N -0.03 0.43 -0.38 0.20 3.64 -1.26 1.71 116.57 120.88 2dn4 h LYS 10 Ca 0.23 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2dn4 h LYS 10 Cb 0.50 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2dn4 h LYS 10 CO -0.93 0.28 0.08 1.96 -2.27 0.00 0.00 179.45 178.57 2dn4 h GLN 11 N 0.44 0.19 -0.13 1.90 4.20 0.79 0.27 115.11 122.78 2dn4 h GLN 11 Ca 0.35 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.98 2dn4 h GLN 11 Cb 0.45 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2dn4 h GLN 11 CO -0.33 0.13 -0.19 0.28 -0.67 0.00 0.00 178.83 178.05 2dn4 h VAL 12 N 0.20 1.37 -0.60 -0.54 2.07 0.12 -0.74 116.25 118.13 2dn4 h VAL 12 Ca 0.18 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.41 2dn4 h VAL 12 Cb 0.21 1.99 -0.10 0.00 -1.52 0.00 0.00 31.29 31.87 2dn4 h VAL 12 CO -0.23 0.41 -0.01 -0.33 0.02 0.00 0.00 177.57 177.42 2dn4 h GLU 13 N -0.05 0.10 -0.17 1.57 5.08 0.30 1.45 114.58 122.86 2dn4 h GLU 13 Ca 0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2dn4 h GLU 13 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2dn4 h GLU 13 CO 0.04 0.07 -0.47 0.93 -1.00 0.00 0.00 179.01 178.58 2dn4 h GLU 14 N 0.10 0.43 0.58 2.33 4.39 -0.45 -2.84 114.58 119.12 2dn4 h GLU 14 Ca 0.31 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2dn4 h GLU 14 Cb 0.49 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2dn4 h GLU 14 CO -0.52 0.81 -0.28 1.25 -1.16 0.00 0.00 179.01 179.12 2dn4 h LEU 15 N 0.35 -0.66 -0.81 1.33 5.85 0.85 0.50 115.31 122.72 2dn4 h LEU 15 Ca 0.02 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.82 2dn4 h LEU 15 Cb 0.95 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 42.03 2dn4 h LEU 15 CO 0.08 -0.27 -0.47 -0.26 -0.34 0.00 0.00 178.44 177.17 2dn4 h PHE 16 N -1.12 -1.43 -0.35 1.25 -1.00 0.18 0.24 116.94 114.72 2dn4 h PHE 16 Ca -0.08 0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2dn4 h PHE 16 Cb 0.64 0.74 -0.02 0.00 3.61 0.00 0.00 35.95 40.92 2dn4 h PHE 16 CO 0.01 -0.41 0.23 0.93 -1.61 0.00 0.00 178.31 177.46 2dn4 h GLU 17 N -0.10 0.46 -0.18 1.51 5.08 -1.54 -2.06 114.58 117.74 2dn4 h GLU 17 Ca 0.22 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2dn4 h GLU 17 Cb 0.53 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2dn4 h GLU 17 CO -0.84 0.31 -0.36 0.00 -1.00 0.00 0.00 179.01 177.11 2dn4 h ARG 18 N 0.46 -0.31 -0.45 2.33 3.08 0.17 1.48 114.38 121.15 2dn4 h ARG 18 Ca 0.13 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.28 2dn4 h ARG 18 Cb -0.04 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 29.98 2dn4 h ARG 18 CO -0.03 -0.21 -0.32 0.87 -1.07 0.00 0.00 179.97 179.22 2dn4 h LYS 19 N -0.32 -0.21 -0.30 0.04 1.79 -0.72 0.57 116.57 117.41 2dn4 h LYS 19 Ca 0.03 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 2dn4 h LYS 19 Cb 0.42 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 2dn4 h LYS 19 CO -0.34 -0.14 -0.05 -0.92 -1.08 0.00 0.00 179.45 176.92 2dn4 h TYR 20 N -0.22 -0.10 -0.97 -1.35 3.20 -0.55 0.13 116.97 117.10 2dn4 h TYR 20 Ca 0.19 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.16 2dn4 h TYR 20 Cb 0.53 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.83 2dn4 h TYR 20 CO -0.55 -0.10 0.63 0.00 -1.64 0.00 0.00 178.16 176.50 2dn4 h ALA 21 N 1.28 1.45 -0.52 1.82 0.00 0.38 -1.14 119.26 122.54 2dn4 h ALA 21 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2dn4 h ALA 21 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2dn4 h ALA 21 CO -0.28 0.39 0.30 1.96 0.00 0.00 0.00 179.25 181.62 2dn4 h GLN 22 N 1.11 0.71 0.00 0.00 4.20 0.16 1.73 115.11 123.02 2dn4 h GLN 22 Ca 0.43 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2dn4 h GLN 22 Cb 0.22 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2dn4 h GLN 22 CO -0.17 0.54 0.07 0.00 -0.67 0.00 0.00 178.83 178.60 2dn4 h ALA 23 N 1.14 1.07 0.00 3.87 0.00 0.23 0.31 119.26 125.87 2dn4 h ALA 23 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dn4 h ALA 23 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dn4 h ALA 23 CO -0.03 -0.07 -0.05 0.44 0.00 0.00 0.00 179.25 179.54 2dn4 n ILE 24 N -2.94 1.33 -4.07 0.00 -5.35 -0.09 -4.98 119.36 103.26 2dn4 n ILE 24 Ca -0.03 -1.54 -0.44 0.00 -0.27 0.00 0.00 62.75 60.48 2dn4 n ILE 24 Cb 0.13 0.12 0.01 0.00 -1.74 0.00 0.00 39.64 38.16 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 -0.94 -0.46 -3.79 6.28 5.02 0.44 -4.90 118.16 119.80 2dn4 n LYS 25 Ca 0.09 0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 56.13 2dn4 n LYS 25 Cb 0.52 -2.82 -0.12 0.00 -0.02 0.00 0.00 35.03 32.60 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 -3.63 3.17 -0.56 7.82 0.00 0.48 -4.95 121.76 124.09 2dn4 s ALA 26 Ca 0.43 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 51.39 2dn4 s ALA 26 Cb -0.23 -2.05 0.57 0.00 0.00 0.00 0.00 23.12 21.41 2dn4 s ALA 26 CO 0.97 -0.42 1.37 0.36 0.00 0.00 0.00 175.76 178.04 2dn4 n LYS 27 N 4.78 3.64 -4.39 0.00 2.85 -1.26 -4.52 118.16 119.26 2dn4 n LYS 27 Ca -0.16 -2.18 -0.19 0.00 -1.05 0.00 0.00 58.31 54.73 2dn4 n LYS 27 Cb 0.51 -2.00 -0.10 0.00 -0.65 0.00 0.00 35.03 32.79 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 -0.57 1.93 -0.23 2.58 0.00 -1.26 -5.11 107.32 104.66 2dn4 s GLY 28 Ca 0.38 -1.95 -0.29 0.00 0.00 0.00 0.00 44.72 42.85 2dn4 s GLY 28 CO 0.12 -1.71 1.32 2.56 0.00 0.00 0.00 173.10 175.38 2dn4 s PRO 29 N -3.95 4.05 0.26 2.90 0.04 -1.26 -4.94 135.00 132.10 2dn4 s PRO 29 Ca 0.37 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.97 2dn4 s PRO 29 Cb 0.08 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2dn4 s PRO 29 CO 0.15 -0.95 0.04 0.14 0.04 0.00 0.00 177.00 176.41 2dn4 s VAL 30 N 4.06 3.67 -0.10 -0.36 -7.23 -1.26 -5.13 120.40 114.05 2dn4 s VAL 30 Ca 0.57 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.90 2dn4 s VAL 30 Cb -0.20 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 2dn4 s VAL 30 CO 0.20 -0.37 0.07 -0.89 -0.31 0.00 0.00 175.10 173.80 2dn4 s THR 31 N -2.28 4.86 -0.36 5.32 2.01 -1.26 -4.85 115.64 119.08 2dn4 s THR 31 Ca 0.32 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 2dn4 s THR 31 Cb -0.07 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2dn4 s THR 31 CO 0.21 0.60 0.35 -0.63 -0.69 0.00 0.00 174.62 174.45 2dn4 s ILE 32 N -0.96 5.19 -0.31 1.82 1.01 -1.26 -5.03 121.20 121.65 2dn4 s ILE 32 Ca 0.15 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 2dn4 s ILE 32 Cb -0.12 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 2dn4 s ILE 32 CO 0.04 -0.14 1.36 -2.16 0.00 0.00 0.00 174.94 174.03 2dn4 s PRO 33 N 1.95 3.84 0.18 2.79 0.04 -1.26 -4.89 135.00 137.65 2dn4 s PRO 33 Ca 0.10 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 2dn4 s PRO 33 Cb -0.17 -3.92 0.07 0.00 0.04 0.00 0.00 34.50 30.52 2dn4 s PRO 33 CO 0.12 -1.22 1.47 1.88 0.04 0.00 0.00 177.00 179.28 2dn4 h TYR 34 N 9.71 0.68 0.17 0.56 0.05 -1.98 -2.90 116.97 123.26 2dn4 h TYR 34 Ca -0.27 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.23 2dn4 h TYR 34 Cb 1.11 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2dn4 h TYR 34 CO 0.90 1.01 -0.08 -1.00 -1.05 0.00 0.00 178.16 177.94 2dn4 h PRO 35 N 0.39 -0.22 -1.13 4.88 0.13 -1.97 0.17 132.00 134.26 2dn4 h PRO 35 Ca -0.01 0.01 0.43 0.00 -0.87 0.00 0.00 66.00 65.57 2dn4 h PRO 35 Cb 1.18 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 2dn4 h PRO 35 CO 0.11 -0.14 0.66 -0.07 -0.23 0.00 0.00 178.00 178.33 2dn4 h LEU 36 N -0.72 0.30 0.24 1.56 3.38 -1.96 1.82 115.31 119.92 2dn4 h LEU 36 Ca -0.02 0.22 -0.33 0.00 0.09 0.00 0.00 57.88 57.83 2dn4 h LEU 36 Cb 0.17 0.22 0.04 0.00 0.09 0.00 0.00 40.66 41.18 2dn4 h LEU 36 CO 0.04 -0.35 -1.45 -0.26 0.09 0.00 0.00 178.44 176.50 2dn4 h PHE 37 N 0.03 0.98 -0.31 1.13 -1.00 -1.57 -2.05 116.94 114.14 2dn4 h PHE 37 Ca 0.85 -0.70 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 2dn4 h PHE 37 Cb 2.40 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 41.90 2dn4 h PHE 37 CO -0.01 1.55 0.04 0.37 -1.61 0.00 0.00 178.31 178.65 2dn4 h GLN 38 N 0.16 0.53 0.00 1.51 4.15 0.51 0.07 115.11 122.04 2dn4 h GLN 38 Ca -0.25 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 58.94 2dn4 h GLN 38 Cb 2.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.77 2dn4 h GLN 38 CO 0.27 0.63 -0.39 0.77 -1.93 0.00 0.00 178.83 178.19 2dn4 h SER 39 N 0.34 0.00 -2.26 -0.69 0.02 0.19 -3.31 113.55 107.85 2dn4 h SER 39 Ca 0.09 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.45 2dn4 h SER 39 Cb 0.37 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.50 2dn4 h SER 39 CO 0.01 0.39 -0.79 1.41 -1.14 0.00 0.00 176.83 176.71 2dn4 n HIS 40 N -3.75 1.91 1.03 3.45 8.25 -0.77 -4.85 115.22 120.49 2dn4 n HIS 40 Ca -0.01 -3.91 0.13 0.00 -0.26 0.00 0.00 57.72 53.67 2dn4 n HIS 40 Cb 0.47 -0.43 0.43 0.00 1.12 0.00 0.00 29.99 31.58 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 1.35 0.00 1.46 1.59 0.24 -0.02 -0.90 118.33 122.05 2dn4 n VAL 41 Ca 0.26 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.69 2dn4 n VAL 41 Cb 0.45 -0.07 0.51 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.44 1.45 0.03 7.34 1.02 -1.26 -4.39 120.64 123.39 2dn4 n GLU 42 Ca 0.07 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 2dn4 n GLU 42 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.06 0.18 -4.39 1.62 8.00 -1.19 -5.00 116.55 115.72 2dn4 n ASP 43 Ca 0.18 0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.39 2dn4 n ASP 43 Cb 0.34 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 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 -6.05 4.44 0.02 0.64 1.43 -0.08 -1.41 118.68 117.67 2dn4 s LEU 44 Ca 0.00 -0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 2dn4 s LEU 44 Cb 0.00 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2dn4 s LEU 44 CO 0.00 -0.31 0.50 -0.72 0.23 0.00 0.00 176.35 176.05 2dn4 s TYR 45 N 1.56 -0.41 -0.02 0.29 -0.85 -1.13 -4.11 117.35 112.68 2dn4 s TYR 45 Ca 0.03 0.53 -0.10 0.00 -0.52 0.00 0.00 57.07 57.00 2dn4 s TYR 45 Cb -0.18 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.40 2dn4 s TYR 45 CO 0.06 -0.58 0.31 0.08 -1.52 0.00 0.00 175.55 173.89 2dn4 s VAL 46 N -2.01 5.22 0.42 -3.49 1.01 -1.26 -1.99 120.40 118.31 2dn4 s VAL 46 Ca -0.08 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2dn4 s VAL 46 Cb -0.01 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2dn4 s VAL 46 CO 0.02 0.52 0.11 -1.61 0.00 0.00 0.00 175.10 174.13 2dn4 s GLU 47 N -1.28 1.97 0.00 2.72 2.02 0.49 -4.77 118.70 119.85 2dn4 s GLU 47 Ca 0.23 -2.21 0.00 0.00 0.02 0.00 0.00 54.97 53.01 2dn4 s GLU 47 Cb -0.14 -0.77 0.00 0.00 0.10 0.00 0.00 34.13 33.32 2dn4 s GLU 47 CO 0.12 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2dn4 n GLY 48 N -0.97 0.80 3.77 -1.39 0.00 -1.25 0.17 105.19 106.31 2dn4 n GLY 48 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 3.39 0.00 0.99 1.43 -1.26 -2.64 118.68 120.59 2dn4 s LEU 49 Ca 0.00 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 55.08 2dn4 s LEU 49 Cb 0.00 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.76 2dn4 s LEU 49 CO 0.00 -1.69 0.43 -0.81 0.23 0.00 0.00 176.35 174.51 2dn4 n PRO 50 N -2.42 -1.11 -3.11 1.29 -0.04 -1.26 -4.99 135.00 123.36 2dn4 n PRO 50 Ca 0.11 -0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 62.51 2dn4 n PRO 50 Cb 0.52 -0.53 -0.06 0.00 -0.04 0.00 0.00 33.50 33.39 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 -3.95 4.40 -0.92 0.54 2.12 -1.26 -3.77 118.70 115.86 2dn4 s GLU 51 Ca 0.26 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.55 2dn4 s GLU 51 Cb -0.02 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.12 2dn4 s GLU 51 CO 0.19 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.90 2dn4 n GLY 52 N 1.70 0.02 2.85 -1.50 0.00 -1.26 -4.99 105.19 102.02 2dn4 n GLY 52 Ca -0.08 -0.45 -0.13 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 -2.52 -0.51 0.00 -0.61 1.01 -1.25 -5.10 121.20 112.23 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 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.67 2dn4 s ILE 53 CO 0.00 -0.41 0.00 -0.81 0.00 0.00 0.00 174.94 173.72 2dn4 n PRO 54 N 4.86 0.89 -3.63 2.79 -0.04 -1.26 -4.35 135.00 134.26 2dn4 n PRO 54 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 2dn4 n PRO 54 Cb 0.48 0.00 -0.08 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 -0.07 3.49 0.15 0.54 5.36 -1.26 -5.00 117.98 121.19 2dn4 s PHE 55 Ca 0.00 -2.50 -0.05 0.00 -0.96 0.00 0.00 56.93 53.42 2dn4 s PHE 55 Cb 0.00 -3.34 -0.03 0.00 -0.34 0.00 0.00 43.02 39.31 2dn4 s PHE 55 CO 0.00 -0.89 0.17 1.03 -1.46 0.00 0.00 175.22 174.07 2dn4 s ARG 56 N 0.13 1.06 -0.20 10.12 1.81 -1.26 -5.01 118.95 125.60 2dn4 s ARG 56 Ca 0.16 -1.34 -0.39 0.00 -1.72 0.00 0.00 55.73 52.45 2dn4 s ARG 56 Cb -0.19 0.31 -0.18 0.00 -0.45 0.00 0.00 34.95 34.44 2dn4 s ARG 56 CO -0.04 -0.35 1.17 0.54 -0.68 0.00 0.00 175.30 175.94 2dn4 n ARG 57 N -0.17 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.77 2dn4 n ARG 57 Ca -0.06 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.13 2dn4 n ARG 57 Cb 0.63 -1.34 0.60 0.00 -1.02 0.00 0.00 32.46 31.33 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 2.35 0.75 -0.14 5.56 -0.04 -1.26 -2.54 135.00 139.68 2dn4 n PRO 58 Ca 0.22 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 2dn4 n PRO 58 Cb 0.02 -1.42 0.21 0.00 -0.04 0.00 0.00 33.50 32.26 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 1.68 0.00 3.54 3.41 -1.26 -3.91 113.62 116.16 2dn4 n SER 59 Ca 0.15 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2dn4 n SER 59 Cb 0.07 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2dn4 n SER 59 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dn4 n THR 60 N 0.39 0.00 -1.36 6.66 -2.24 -1.05 -5.07 114.28 111.61 2dn4 n THR 60 Ca 0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 2dn4 n THR 60 Cb 0.28 -0.49 0.03 0.00 -2.10 0.00 0.00 70.33 68.05 2dn4 n THR 60 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dn4 n TYR 61 N -2.44 -1.58 -1.50 4.78 4.01 -1.25 -4.93 117.16 114.25 2dn4 n TYR 61 Ca 0.00 0.43 -0.30 0.00 -0.16 0.00 0.00 57.90 57.87 2dn4 n TYR 61 Cb 0.46 -1.84 0.09 0.00 -0.31 0.00 0.00 39.34 37.74 2dn4 n TYR 61 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dn4 s GLY 62 N -1.13 1.63 0.21 2.72 0.00 -1.26 -4.77 107.32 104.72 2dn4 s GLY 62 Ca 0.64 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 45.13 2dn4 s GLY 62 CO 0.59 0.28 1.80 -2.22 0.00 0.00 0.00 173.10 173.56 2dn4 h ILE 63 N -1.11 0.94 -0.01 0.90 5.03 -1.99 0.23 117.51 121.49 2dn4 h ILE 63 Ca -0.47 -0.23 -0.17 0.00 -0.12 0.00 0.00 64.86 63.87 2dn4 h ILE 63 Cb 1.26 0.21 -0.02 0.00 -3.03 0.00 0.00 36.82 35.25 2dn4 h ILE 63 CO 0.58 0.12 -0.78 1.55 -0.68 0.00 0.00 178.15 178.94 2dn4 h PRO 64 N 0.67 0.14 -0.61 2.37 0.13 -2.00 -2.75 132.00 129.95 2dn4 h PRO 64 Ca 0.31 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 2dn4 h PRO 64 Cb 0.24 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 2dn4 h PRO 64 CO -0.21 0.85 0.06 0.00 -0.23 0.00 0.00 178.00 178.48 2dn4 h ARG 65 N 0.08 1.02 0.29 0.86 3.08 -1.61 -2.81 114.38 115.29 2dn4 h ARG 65 Ca -0.02 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2dn4 h ARG 65 Cb 1.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2dn4 h ARG 65 CO 0.11 0.96 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.76 2dn4 h LEU 66 N 0.95 -0.33 -0.98 3.04 3.38 -0.57 -2.74 115.31 118.05 2dn4 h LEU 66 Ca 0.18 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2dn4 h LEU 66 Cb 0.46 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.15 2dn4 h LEU 66 CO 0.02 0.02 -0.41 -0.62 0.09 0.00 0.00 178.44 177.53 2dn4 n GLU 67 N -5.13 -0.26 -0.02 1.13 1.02 -1.04 0.28 120.64 116.63 2dn4 n GLU 67 Ca -0.09 1.51 -0.09 0.00 -0.02 0.00 0.00 57.16 58.46 2dn4 n GLU 67 Cb 0.25 -2.23 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 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 -0.25 -1.01 3.49 3.08 -1.47 0.34 114.38 118.56 2dn4 h ARG 68 Ca 0.32 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.64 2dn4 h ARG 68 Cb 0.56 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 2dn4 h ARG 68 CO -0.97 -0.17 0.67 0.82 -1.07 0.00 0.00 179.97 179.25 2dn4 h ILE 69 N -0.26 0.56 0.00 2.04 2.04 0.14 1.63 117.51 123.66 2dn4 h ILE 69 Ca 0.11 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 2dn4 h ILE 69 Cb 0.43 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2dn4 h ILE 69 CO -0.32 0.06 -0.72 -0.07 0.00 0.00 0.00 178.15 177.10 2dn4 h LEU 70 N 0.33 0.00 0.00 1.44 3.38 0.15 -0.83 115.31 119.78 2dn4 h LEU 70 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2dn4 h LEU 70 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2dn4 h LEU 70 CO -0.21 0.72 -0.04 -0.07 0.09 0.00 0.00 178.44 178.93 2dn4 h LEU 71 N 0.00 0.00 -1.16 1.67 3.38 0.56 -2.98 115.31 116.78 2dn4 h LEU 71 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dn4 h LEU 71 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2dn4 h LEU 71 CO 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 178.36 2dn4 n ALA 72 N -1.90 3.06 -0.34 1.53 0.00 0.24 -4.44 120.51 118.66 2dn4 n ALA 72 Ca 0.05 -0.60 0.22 0.00 0.00 0.00 0.00 53.44 53.11 2dn4 n ALA 72 Cb 0.47 -0.64 0.44 0.00 0.00 0.00 0.00 19.45 19.72 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 2.53 0.38 -0.42 0.00 2.10 -0.98 2.23 116.57 122.40 2dn4 h LYS 73 Ca 0.00 -0.02 0.10 0.00 -2.00 0.00 0.00 60.65 58.73 2dn4 h LYS 73 Cb 0.67 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 2dn4 h LYS 73 CO 0.00 0.25 0.29 0.93 -2.00 0.00 0.00 179.45 178.92 2dn4 h GLU 74 N 0.39 0.11 0.03 0.07 4.39 -1.80 -2.27 114.58 115.49 2dn4 h GLU 74 Ca 0.70 -0.01 -0.37 0.00 0.34 0.00 0.00 59.36 60.03 2dn4 h GLU 74 Cb 1.53 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.10 2dn4 h GLU 74 CO -0.57 0.07 -2.27 0.54 -1.16 0.00 0.00 179.01 175.62 2dn4 n ARG 75 N -4.44 0.68 -1.27 2.33 5.12 0.64 -4.98 116.66 114.75 2dn4 n ARG 75 Ca 0.07 0.16 -0.43 0.00 -1.93 0.00 0.00 57.85 55.72 2dn4 n ARG 75 Cb 0.41 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 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 -3.18 1.36 -3.55 0.55 5.41 0.45 -3.95 119.36 116.47 2dn4 n ILE 76 Ca -0.37 -0.47 -0.16 0.00 1.00 0.00 0.00 62.75 62.75 2dn4 n ILE 76 Cb 1.05 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.92 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 0.94 -0.27 0.38 3.52 0.44 -4.79 118.95 118.23 2dn4 s ARG 77 Ca 0.58 0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 56.51 2dn4 s ARG 77 Cb -0.76 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.11 2dn4 s ARG 77 CO 0.55 -0.27 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.69 2dn4 s PHE 78 N -0.92 3.14 -0.34 5.12 0.40 -1.26 0.19 117.98 124.31 2dn4 s PHE 78 Ca -0.08 -1.61 -0.16 0.00 -0.60 0.00 0.00 56.93 54.48 2dn4 s PHE 78 Cb -0.01 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 2dn4 s PHE 78 CO 0.07 -0.74 0.43 0.08 0.70 0.00 0.00 175.22 175.75 2dn4 s VAL 79 N 1.32 5.11 -0.99 -0.44 1.01 -0.84 -4.76 120.40 120.80 2dn4 s VAL 79 Ca -0.02 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2dn4 s VAL 79 Cb -0.18 -3.87 0.28 0.00 0.00 0.00 0.00 36.38 32.62 2dn4 s VAL 79 CO -0.03 -0.11 1.19 -0.38 0.00 0.00 0.00 175.10 175.77 2dn4 n ILE 80 N 5.30 4.35 0.24 2.22 2.08 -1.26 -2.85 119.36 129.44 2dn4 n ILE 80 Ca -0.07 -5.60 -0.17 0.00 0.56 0.00 0.00 62.75 57.47 2dn4 n ILE 80 Cb 0.49 -2.22 -0.10 0.00 -0.75 0.00 0.00 39.64 37.07 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 5.52 -0.89 -4.93 0.38 1.79 -1.62 -3.38 116.57 113.44 2dn4 h LYS 81 Ca 0.19 0.06 -0.64 0.00 -2.18 0.00 0.00 60.65 58.08 2dn4 h LYS 81 Cb 0.70 0.20 -0.17 0.00 -1.58 0.00 0.00 32.23 31.38 2dn4 h LYS 81 CO 1.12 -0.59 -0.50 0.15 -1.08 0.00 0.00 179.45 178.56 2dn4 s LYS 82 N -5.75 3.96 -0.18 3.15 -0.14 -1.26 -4.96 119.74 114.56 2dn4 s LYS 82 Ca -0.17 -0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 53.98 2dn4 s LYS 82 Cb 0.05 -3.65 -0.14 0.00 -1.68 0.00 0.00 37.83 32.41 2dn4 s LYS 82 CO 0.59 -0.17 0.13 0.45 -0.76 0.00 0.00 175.35 175.58 2dn4 h HIS 83 N 8.31 0.00 -0.93 3.18 3.86 -1.98 -3.37 115.15 124.21 2dn4 h HIS 83 Ca -0.35 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.07 2dn4 h HIS 83 Cb 1.19 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.54 2dn4 h HIS 83 CO 0.75 0.90 0.49 1.05 0.86 0.00 0.00 177.93 181.98 2dn4 h GLU 84 N -1.00 0.53 -1.27 2.45 4.11 -1.93 0.51 114.58 117.99 2dn4 h GLU 84 Ca -0.19 -0.03 0.38 0.00 0.07 0.00 0.00 59.36 59.59 2dn4 h GLU 84 Cb 0.95 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.98 2dn4 h GLU 84 CO -0.12 0.35 0.84 -0.07 0.07 0.00 0.00 179.01 180.08 2dn4 h LEU 85 N 0.54 0.25 0.14 3.06 3.38 -1.97 -0.78 115.31 119.94 2dn4 h LEU 85 Ca 0.57 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.62 2dn4 h LEU 85 Cb 1.01 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dn4 h LEU 85 CO -0.46 -0.06 -0.07 -0.07 0.09 0.00 0.00 178.44 177.87 2dn4 h LEU 86 N 0.16 -0.16 -9.22 1.67 3.38 -0.15 -3.45 115.31 107.53 2dn4 h LEU 86 Ca 0.73 0.01 -0.55 0.00 0.09 0.00 0.00 57.88 58.16 2dn4 h LEU 86 Cb 2.30 0.04 0.23 0.00 0.09 0.00 0.00 40.66 43.32 2dn4 h LEU 86 CO -0.29 -0.04 -1.47 0.59 0.09 0.00 0.00 178.44 177.31 2dn4 n ASN 87 N -2.90 -4.83 -1.94 -0.43 3.02 -0.30 -4.54 115.26 103.34 2dn4 n ASN 87 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2dn4 n ASN 87 Cb 0.07 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2dn4 n SER 88 N 2.11 -7.76 0.00 6.41 2.88 -1.26 -4.94 113.62 111.06 2dn4 n SER 88 Ca 0.01 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 2dn4 n SER 88 Cb 0.55 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 2dn4 n SER 88 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2dn4 n THR 89 N 1.45 0.00 0.00 2.46 5.66 -1.26 -4.99 114.28 117.59 2dn4 n THR 89 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2dn4 n THR 89 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 -1.46 1.09 0.00 -1.26 -5.16 116.66 109.87 2dn4 n ARG 90 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 2dn4 n ARG 90 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 2dn4 n ARG 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2dn4 n GLU 91 N -0.63 -3.63 -1.57 -0.14 2.13 -1.26 -5.01 120.64 110.52 2dn4 n GLU 91 Ca 0.00 2.89 0.00 0.00 0.66 0.00 0.00 57.16 60.71 2dn4 n GLU 91 Cb 0.00 -3.84 0.00 0.00 0.27 0.00 0.00 31.44 27.87 2dn4 n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dn4 n ASP 92 N -3.40 -7.68 -0.02 4.31 8.00 -1.26 -5.00 116.55 111.50 2dn4 n ASP 92 Ca -0.05 1.06 -0.02 0.00 0.71 0.00 0.00 54.79 56.50 2dn4 n ASP 92 Cb 0.56 -3.93 -0.01 0.00 -0.02 0.00 0.00 41.12 37.73 2dn4 n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2dn4 n LEU 93 N 0.80 0.57 -1.77 0.64 7.94 -1.26 -5.10 117.00 118.82 2dn4 n LEU 93 Ca 0.00 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2dn4 n LEU 93 Cb 0.00 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 43.34 2dn4 n LEU 93 CO 0.00 -0.49 -0.35 -1.20 -1.11 0.00 0.00 177.39 174.24 2dn4 n SER 94 N -3.00 -7.26 0.00 1.96 7.64 -1.26 -5.09 113.62 106.61 2dn4 n SER 94 Ca -0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2dn4 n SER 94 Cb 0.09 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 2dn4 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 95 N 1.38 -0.55 3.77 0.23 0.00 -1.26 -5.16 105.19 103.60 2dn4 n GLY 95 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.47 -0.36 -0.17 1.61 0.04 -1.26 -5.06 135.00 128.33 2dn4 s PRO 96 Ca 0.00 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.75 2dn4 s PRO 96 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2dn4 s PRO 96 CO 0.00 -3.10 -0.14 -1.54 0.04 0.00 0.00 177.00 172.26 2dn4 s SER 97 N -4.44 3.70 -0.94 6.66 1.04 -1.26 -5.05 113.70 113.41 2dn4 s SER 97 Ca 0.73 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 2dn4 s SER 97 Cb -0.06 -1.59 0.24 0.00 0.10 0.00 0.00 66.02 64.71 2dn4 s SER 97 CO 0.54 0.05 0.88 -1.20 0.98 0.00 0.00 173.24 174.49 2dn4 n SER 98 N 4.33 4.55 0.00 7.02 7.64 -1.26 -5.31 113.62 130.58 2dn4 n SER 98 Ca -0.19 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.55 2dn4 n SER 98 Cb 0.51 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2dn4 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64