#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn0 s SER 2 N 0.00 -0.70 0.74 1.61 1.04 -1.26 -5.15 113.70 109.99 2dn0 s SER 2 Ca 0.00 1.18 -0.17 0.00 0.48 0.00 0.00 55.95 57.44 2dn0 s SER 2 Cb 0.00 1.14 -0.12 0.00 0.10 0.00 0.00 66.02 67.14 2dn0 s SER 2 CO 0.00 -0.22 -0.19 -1.20 0.98 0.00 0.00 173.24 172.61 2dn0 n SER 3 N 4.44 -3.87 -1.25 7.02 7.64 -1.26 -4.99 113.62 121.36 2dn0 n SER 3 Ca -0.20 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2dn0 n SER 3 Cb 0.56 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2dn0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn0 n GLY 4 N 2.61 0.98 3.42 0.23 0.00 -1.26 -5.13 105.19 106.04 2dn0 n GLY 4 Ca 0.05 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 2dn0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn0 s SER 5 N -1.00 -0.04 -0.11 1.61 0.15 -1.26 -5.17 113.70 107.88 2dn0 s SER 5 Ca 0.00 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.76 2dn0 s SER 5 Cb 0.00 0.49 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2dn0 s SER 5 CO 0.00 -0.98 0.26 -0.55 1.20 0.00 0.00 173.24 173.17 2dn0 s SER 6 N -2.97 -0.21 0.39 5.45 0.15 -1.26 -5.17 113.70 110.08 2dn0 s SER 6 Ca 0.18 0.55 0.08 0.00 0.70 0.00 0.00 55.95 57.46 2dn0 s SER 6 Cb 0.02 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2dn0 s SER 6 CO 0.02 -0.18 0.24 -0.83 1.20 0.00 0.00 173.24 173.70 2dn0 s GLY 7 N 1.39 2.16 0.07 9.45 0.00 -1.26 -5.06 107.32 114.07 2dn0 s GLY 7 Ca -0.08 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.38 2dn0 s GLY 7 CO -0.09 -1.79 1.91 0.00 0.00 0.00 0.00 173.10 173.13 2dn0 s ALA 8 N -2.51 3.65 0.70 3.20 0.00 -1.26 -4.92 121.76 120.64 2dn0 s ALA 8 Ca 0.43 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 2dn0 s ALA 8 Cb -0.00 -3.81 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 2dn0 s ALA 8 CO 0.24 -1.44 0.22 -1.13 0.00 0.00 0.00 175.76 173.66 2dn0 n SER 9 N 6.81 -2.32 -4.31 0.00 3.41 -1.26 -5.01 113.62 110.93 2dn0 n SER 9 Ca 0.19 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 59.20 2dn0 n SER 9 Cb 0.40 -1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 2dn0 n SER 9 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2dn0 s ILE 10 N -1.94 0.74 -0.18 -1.33 -0.00 -1.26 -5.08 121.20 112.15 2dn0 s ILE 10 Ca 0.61 -2.00 -0.04 0.00 -0.00 0.00 0.00 60.65 59.21 2dn0 s ILE 10 Cb -0.36 -2.46 -0.10 0.00 -0.00 0.00 0.00 42.46 39.54 2dn0 s ILE 10 CO 0.63 -0.19 -0.20 -1.22 -0.00 0.00 0.00 174.94 173.96 2dn0 n TYR 11 N -0.42 0.00 -1.76 1.37 4.02 -1.26 -4.85 117.16 114.26 2dn0 n TYR 11 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 2dn0 n TYR 11 Cb 0.65 -0.67 -0.07 0.00 -0.02 0.00 0.00 39.34 39.23 2dn0 n TYR 11 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2dn0 s LYS 12 N -2.35 1.89 0.20 -0.72 1.02 -1.26 -4.92 119.74 113.61 2dn0 s LYS 12 Ca -0.25 -0.02 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 2dn0 s LYS 12 Cb 0.08 -4.94 -0.06 0.00 -0.52 0.00 0.00 37.83 32.40 2dn0 s LYS 12 CO 0.37 -4.26 0.46 -0.80 -0.92 0.00 0.00 175.35 170.21 2dn0 s ASN 13 N 9.31 6.51 -0.57 2.83 0.01 -1.26 -5.06 114.94 126.71 2dn0 s ASN 13 Ca 0.82 0.70 -0.02 0.00 -0.71 0.00 0.00 52.86 53.65 2dn0 s ASN 13 Cb -0.09 -2.13 0.15 0.00 0.41 0.00 0.00 41.25 39.59 2dn0 s ASN 13 CO 0.07 -0.04 0.37 -0.75 -1.51 0.00 0.00 177.10 175.24 2dn0 s LYS 14 N -2.94 2.37 -1.11 -0.60 2.20 -1.26 -5.03 119.74 113.37 2dn0 s LYS 14 Ca 0.43 -2.42 -0.19 0.00 -0.36 0.00 0.00 55.97 53.43 2dn0 s LYS 14 Cb -0.11 -3.64 0.09 0.00 -1.51 0.00 0.00 37.83 32.65 2dn0 s LYS 14 CO 0.25 -1.14 1.47 0.15 -0.36 0.00 0.00 175.35 175.71 2dn0 s LYS 15 N 0.12 3.78 0.33 4.03 -0.14 -1.26 -4.99 119.74 121.60 2dn0 s LYS 15 Ca 0.15 -1.71 -0.24 0.00 -1.36 0.00 0.00 55.97 52.81 2dn0 s LYS 15 Cb -0.21 -5.28 -0.10 0.00 -1.68 0.00 0.00 37.83 30.56 2dn0 s LYS 15 CO -0.03 -2.07 0.91 0.45 -0.76 0.00 0.00 175.35 173.84 2dn0 s SER 16 N 4.19 7.21 0.22 2.83 0.15 -1.26 -4.81 113.70 122.23 2dn0 s SER 16 Ca 0.45 1.73 -0.10 0.00 0.70 0.00 0.00 55.95 58.73 2dn0 s SER 16 Cb -0.00 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.08 2dn0 s SER 16 CO -0.03 -0.11 1.65 1.12 1.20 0.00 0.00 173.24 177.07 2dn0 h HIS 17 N 2.95 -0.08 -0.86 3.44 2.07 -1.96 0.24 115.15 120.94 2dn0 h HIS 17 Ca -0.47 0.05 0.30 0.00 -2.85 0.00 0.00 60.37 57.40 2dn0 h HIS 17 Cb 1.19 0.14 -0.16 0.00 2.57 0.00 0.00 27.41 31.15 2dn0 h HIS 17 CO 0.62 -0.19 0.25 -0.85 -3.07 0.00 0.00 177.93 174.69 2dn0 n GLU 18 N -5.31 -0.06 -0.12 5.12 0.28 -1.26 -0.60 120.64 118.69 2dn0 n GLU 18 Ca 0.10 1.24 -0.24 0.00 -0.16 0.00 0.00 57.16 58.09 2dn0 n GLU 18 Cb 0.37 -2.10 -0.11 0.00 1.43 0.00 0.00 31.44 31.03 2dn0 n GLU 18 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2dn0 n GLN 19 N -5.10 0.57 -0.26 3.44 6.02 -0.11 -4.37 117.38 117.58 2dn0 n GLN 19 Ca 0.27 0.47 -0.10 0.00 -0.01 0.00 0.00 57.00 57.62 2dn0 n GLN 19 Cb 0.90 -1.66 -0.08 0.00 1.02 0.00 0.00 30.24 30.42 2dn0 n GLN 19 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2dn0 h LEU 20 N -1.00 -1.71 -0.84 1.08 5.85 0.59 -1.22 115.31 118.06 2dn0 h LEU 20 Ca -0.47 0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2dn0 h LEU 20 Cb 1.41 0.74 -0.10 0.00 0.37 0.00 0.00 40.66 43.07 2dn0 h LEU 20 CO -0.28 -0.25 -0.48 -1.54 -0.34 0.00 0.00 178.44 175.54 2dn0 n SER 21 N -4.90 -0.86 -0.30 1.25 3.41 0.23 -0.65 113.62 111.80 2dn0 n SER 21 Ca -0.00 1.48 -0.08 0.00 -0.26 0.00 0.00 58.87 60.02 2dn0 n SER 21 Cb 0.24 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 2dn0 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dn0 n ALA 22 N -3.39 -0.45 -0.12 7.33 0.00 -0.47 -0.05 120.51 123.37 2dn0 n ALA 22 Ca 0.02 0.60 -0.05 0.00 0.00 0.00 0.00 53.44 54.01 2dn0 n ALA 22 Cb 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.66 2dn0 n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dn0 h LEU 23 N 0.00 -0.58 -0.84 0.00 3.38 -0.83 -0.59 115.31 115.86 2dn0 h LEU 23 Ca 0.11 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.38 2dn0 h LEU 23 Cb 0.29 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2dn0 h LEU 23 CO -0.66 -0.20 0.41 0.11 0.09 0.00 0.00 178.44 178.18 2dn0 h LYS 24 N -0.09 0.55 0.00 1.13 1.57 0.19 -0.38 116.57 119.54 2dn0 h LYS 24 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2dn0 h LYS 24 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2dn0 h LYS 24 CO -0.46 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 179.19 2dn0 n GLY 25 N -1.33 -3.14 0.28 3.86 0.00 0.14 -1.69 105.19 103.32 2dn0 n GLY 25 Ca 0.17 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.45 2dn0 n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dn0 h SER 26 N 0.00 -0.51 -0.77 1.61 0.87 -1.51 -0.75 113.55 112.48 2dn0 h SER 26 Ca 0.00 0.22 0.10 0.00 -1.23 0.00 0.00 61.79 60.88 2dn0 h SER 26 Cb 0.00 0.41 -0.12 0.00 -0.44 0.00 0.00 62.40 62.25 2dn0 h SER 26 CO 0.00 -0.22 -0.46 0.15 -0.53 0.00 0.00 176.83 175.77 2dn0 h PHE 27 N 0.05 -1.37 -0.92 2.24 3.57 -1.04 0.50 116.94 119.97 2dn0 h PHE 27 Ca 0.40 0.10 0.15 0.00 3.53 0.00 0.00 57.97 62.15 2dn0 h PHE 27 Cb 0.69 0.70 -0.09 0.00 2.79 0.00 0.00 35.95 40.04 2dn0 h PHE 27 CO -0.51 -0.41 0.53 0.00 -2.23 0.00 0.00 178.31 175.69 2dn0 h ARG 29 N 0.75 -0.52 -4.87 0.00 2.43 -0.00 -3.42 114.38 108.75 2dn0 h ARG 29 Ca 0.50 0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 59.04 2dn0 h ARG 29 Cb 0.68 0.12 -0.37 0.00 -0.42 0.00 0.00 29.97 29.98 2dn0 h ARG 29 CO -0.34 -0.35 -0.79 1.21 -1.51 0.00 0.00 179.97 178.19 2dn0 s ASN 30 N -3.85 4.46 0.23 -3.80 2.47 0.10 -4.98 114.94 109.57 2dn0 s ASN 30 Ca -0.08 -1.38 -0.03 0.00 0.42 0.00 0.00 52.86 51.79 2dn0 s ASN 30 Cb 0.01 -1.56 0.22 0.00 -1.45 0.00 0.00 41.25 38.47 2dn0 s ASN 30 CO 0.24 -0.19 1.64 1.56 -3.72 0.00 0.00 177.10 176.62 2dn0 h GLN 31 N 7.79 0.71 -3.40 0.43 7.50 -1.78 -3.35 115.11 123.00 2dn0 h GLN 31 Ca -0.19 -0.29 -0.73 0.00 0.50 0.00 0.00 58.65 57.94 2dn0 h GLN 31 Cb 1.04 -0.03 -0.33 0.00 0.05 0.00 0.00 27.48 28.21 2dn0 h GLN 31 CO 0.47 0.88 0.04 -0.06 -1.50 0.00 0.00 178.83 178.67 2dn0 s PHE 32 N -4.55 3.98 -0.14 2.96 0.40 -1.26 -5.03 117.98 114.33 2dn0 s PHE 32 Ca -0.09 -2.91 -0.29 0.00 -0.60 0.00 0.00 56.93 53.04 2dn0 s PHE 32 Cb 0.13 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.22 2dn0 s PHE 32 CO 0.83 -0.80 1.56 -1.25 0.70 0.00 0.00 175.22 176.26 2dn0 s PRO 33 N -1.26 4.03 0.00 0.24 0.04 -1.26 -5.01 135.00 131.79 2dn0 s PRO 33 Ca 0.28 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dn0 s PRO 33 Cb -0.08 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2dn0 s PRO 33 CO -0.11 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.34 2dn0 n GLY 34 N 4.25 -1.61 0.06 0.56 0.00 -1.26 -4.56 105.19 102.62 2dn0 n GLY 34 Ca 0.17 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 2dn0 n GLY 34 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dn0 h GLN 35 N 0.00 0.02 0.85 1.61 4.15 -2.00 -3.05 115.11 116.68 2dn0 h GLN 35 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2dn0 h GLN 35 Cb 0.00 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2dn0 h GLN 35 CO 0.00 0.38 -0.48 0.77 -1.93 0.00 0.00 178.83 177.57 2dn0 h SER 36 N -0.35 -1.18 -0.90 -0.69 0.02 -1.99 -0.98 113.55 107.48 2dn0 h SER 36 Ca 0.00 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2dn0 h SER 36 Cb 0.37 0.33 -0.11 0.00 0.14 0.00 0.00 62.40 63.14 2dn0 h SER 36 CO 0.00 -0.76 -0.52 -0.62 -1.14 0.00 0.00 176.83 173.79 2dn0 n GLU 37 N -5.63 -0.39 0.33 3.45 4.71 -1.25 -1.11 120.64 120.76 2dn0 n GLU 37 Ca -0.15 1.36 -0.18 0.00 -0.01 0.00 0.00 57.16 58.18 2dn0 n GLU 37 Cb 0.50 -2.01 -0.09 0.00 -1.01 0.00 0.00 31.44 28.84 2dn0 n GLU 37 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2dn0 h VAL 38 N 0.00 0.14 -1.02 2.62 2.07 -1.47 -1.97 116.25 116.62 2dn0 h VAL 38 Ca 0.15 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.09 2dn0 h VAL 38 Cb 0.38 0.14 -0.17 0.00 -1.52 0.00 0.00 31.29 30.13 2dn0 h VAL 38 CO -0.85 0.00 0.57 -0.62 0.02 0.00 0.00 177.57 176.69 2dn0 n GLU 39 N -5.54 -0.05 0.22 1.57 1.02 -0.26 -0.10 120.64 117.49 2dn0 n GLU 39 Ca -0.12 1.32 -0.10 0.00 -0.02 0.00 0.00 57.16 58.24 2dn0 n GLU 39 Cb 0.43 -2.40 -0.05 0.00 -0.02 0.00 0.00 31.44 29.40 2dn0 n GLU 39 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dn0 h HIS 40 N 0.00 -0.59 -0.32 -0.32 2.76 -0.57 -3.29 115.15 112.82 2dn0 h HIS 40 Ca 0.83 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 59.06 2dn0 h HIS 40 Cb 2.27 0.19 -0.08 0.00 1.55 0.00 0.00 27.41 31.34 2dn0 h HIS 40 CO -0.01 -0.36 -0.24 -0.07 -1.30 0.00 0.00 177.93 175.95 2dn0 h LEU 41 N -1.17 -0.77 -1.83 0.26 3.38 -0.11 0.11 115.31 115.17 2dn0 h LEU 41 Ca -0.06 0.15 0.55 0.00 0.09 0.00 0.00 57.88 58.60 2dn0 h LEU 41 Cb 0.49 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 2dn0 h LEU 41 CO 0.11 -0.27 1.28 0.71 0.09 0.00 0.00 178.44 180.36 2dn0 h THR 42 N -0.20 0.01 0.04 0.22 1.35 -0.62 1.00 112.91 114.71 2dn0 h THR 42 Ca 0.16 -0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.67 2dn0 h THR 42 Cb 0.46 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 66.84 2dn0 h THR 42 CO -0.44 0.00 -2.10 0.29 -0.25 0.00 0.00 175.52 173.02 2dn0 n LYS 43 N -4.16 0.69 -0.23 4.72 5.02 0.17 -0.95 118.16 123.42 2dn0 n LYS 43 Ca 0.43 0.20 0.06 0.00 -2.02 0.00 0.00 58.31 56.98 2dn0 n LYS 43 Cb 1.89 -1.66 0.32 0.00 -0.02 0.00 0.00 35.03 35.56 2dn0 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dn0 h VAL 44 N 0.03 1.02 0.00 -0.18 2.07 0.30 -3.26 116.25 116.23 2dn0 h VAL 44 Ca -0.44 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 66.60 2dn0 h VAL 44 Cb 2.04 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2dn0 h VAL 44 CO 0.04 0.15 -1.72 0.35 0.02 0.00 0.00 177.57 176.41 2dn0 n THR 45 N -4.49 0.72 0.00 2.57 -2.24 -0.11 -4.96 114.28 105.78 2dn0 n THR 45 Ca 0.12 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2dn0 n THR 45 Cb 0.24 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 2dn0 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dn0 n GLY 46 N 2.77 2.71 3.71 3.38 0.00 -0.13 -5.03 105.19 112.61 2dn0 n GLY 46 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2dn0 n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dn0 n LEU 47 N 0.00 4.67 -4.57 0.99 4.77 -1.25 -4.89 117.00 116.72 2dn0 n LEU 47 Ca 0.00 1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 56.59 2dn0 n LEU 47 Cb 0.00 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 39.58 2dn0 n LEU 47 CO 0.00 -0.73 0.47 -1.20 -1.33 0.00 0.00 177.39 174.59 2dn0 n SER 48 N -0.43 0.75 -0.33 -1.43 7.64 -1.26 -4.57 113.62 113.99 2dn0 n SER 48 Ca 0.09 0.99 0.20 0.00 1.01 0.00 0.00 58.87 61.17 2dn0 n SER 48 Cb 0.43 -1.30 0.42 0.00 -1.01 0.00 0.00 64.21 62.75 2dn0 n SER 48 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2dn0 h THR 49 N 1.31 0.37 -0.24 0.44 2.02 -1.92 0.78 112.91 115.66 2dn0 h THR 49 Ca -0.44 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.52 2dn0 h THR 49 Cb 1.35 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2dn0 h THR 49 CO 0.55 0.07 -0.27 -0.09 0.37 0.00 0.00 175.52 176.15 2dn0 h ARG 50 N 0.38 0.48 -0.17 6.66 9.65 -1.99 -2.34 114.38 127.04 2dn0 h ARG 50 Ca 0.68 -0.19 -0.15 0.00 -1.10 0.00 0.00 59.98 59.23 2dn0 h ARG 50 Cb 1.46 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 30.01 2dn0 h ARG 50 CO -0.58 0.71 -0.53 0.93 2.80 0.00 0.00 179.97 183.30 2dn0 h GLU 51 N 0.42 0.47 -0.37 0.20 5.08 0.18 0.42 114.58 120.97 2dn0 h GLU 51 Ca 0.06 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 2dn0 h GLU 51 Cb 0.69 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2dn0 h GLU 51 CO 0.05 0.88 -0.17 0.28 -1.00 0.00 0.00 179.01 179.06 2dn0 h VAL 52 N 0.37 1.28 0.00 3.13 2.07 -0.83 -2.80 116.25 119.48 2dn0 h VAL 52 Ca 0.01 -1.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.11 2dn0 h VAL 52 Cb 1.04 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2dn0 h VAL 52 CO 0.09 0.43 -0.63 0.03 0.02 0.00 0.00 177.57 177.51 2dn0 h ARG 53 N 0.57 0.00 -0.67 1.57 3.08 -1.40 -3.26 114.38 114.28 2dn0 h ARG 53 Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2dn0 h ARG 53 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2dn0 h ARG 53 CO 0.05 0.63 0.24 -0.22 -1.07 0.00 0.00 179.97 179.60 2dn0 h LYS 54 N 0.00 1.02 0.28 0.04 1.63 -0.81 -3.12 116.57 115.61 2dn0 h LYS 54 Ca -0.01 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 2dn0 h LYS 54 Cb 1.40 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2dn0 h LYS 54 CO 0.08 0.87 -0.14 2.35 -3.45 0.00 0.00 179.45 179.17 2dn0 h TRP 55 N 0.96 -0.35 -0.95 1.91 7.01 -1.54 -2.92 115.95 120.07 2dn0 h TRP 55 Ca 0.22 -0.01 0.32 0.00 2.11 0.00 0.00 58.89 61.53 2dn0 h TRP 55 Cb 0.25 0.12 -0.17 0.00 -2.10 0.00 0.00 29.16 27.25 2dn0 h TRP 55 CO 0.02 -0.13 0.24 1.19 -2.79 0.00 0.00 178.44 176.97 2dn0 n PHE 56 N -5.20 0.83 -0.24 2.65 3.01 -1.18 0.17 117.46 117.50 2dn0 n PHE 56 Ca -0.10 1.14 -0.06 0.00 1.01 0.00 0.00 57.45 59.44 2dn0 n PHE 56 Cb 0.21 -1.36 0.05 0.00 -0.01 0.00 0.00 39.48 38.37 2dn0 n PHE 56 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2dn0 h SER 57 N 0.00 0.85 0.07 4.37 0.02 -1.51 -2.40 113.55 114.95 2dn0 h SER 57 Ca 0.68 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 2dn0 h SER 57 Cb 1.62 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 2dn0 h SER 57 CO -0.82 0.71 -0.13 -0.78 -1.14 0.00 0.00 176.83 174.67 2dn0 h ASP 58 N 0.93 -0.38 -0.80 3.07 3.58 0.17 -0.67 116.42 122.33 2dn0 h ASP 58 Ca 0.24 0.04 0.19 0.00 0.42 0.00 0.00 57.03 57.92 2dn0 h ASP 58 Cb 0.05 0.13 -0.13 0.00 1.72 0.00 0.00 39.33 41.10 2dn0 h ASP 58 CO -0.04 -0.15 0.14 -0.09 -2.88 0.00 0.00 179.24 176.22 2dn0 h ARG 59 N -0.22 0.19 -0.53 0.28 9.65 -1.51 0.14 114.38 122.37 2dn0 h ARG 59 Ca -0.01 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.95 2dn0 h ARG 59 Cb 0.20 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.67 2dn0 h ARG 59 CO -0.05 0.12 0.15 0.00 2.80 0.00 0.00 179.97 182.99 2dn0 h ARG 60 N 0.19 0.29 -0.51 0.20 2.47 -1.04 -0.82 114.38 115.16 2dn0 h ARG 60 Ca 0.47 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 59.10 2dn0 h ARG 60 Cb 0.86 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 2dn0 h ARG 60 CO -0.62 0.19 0.06 -0.92 0.56 0.00 0.00 179.97 179.25 2dn0 h TYR 61 N 0.30 0.86 -0.54 3.04 3.20 0.78 -2.26 116.97 122.35 2dn0 h TYR 61 Ca 0.27 -0.10 -0.24 0.00 3.14 0.00 0.00 58.73 61.80 2dn0 h TYR 61 Cb 0.35 -0.24 -0.14 0.00 1.54 0.00 0.00 36.73 38.23 2dn0 h TYR 61 CO -0.20 0.76 0.31 0.72 -1.64 0.00 0.00 178.16 178.10 2dn0 n HIS 62 N -4.24 1.71 -0.02 -3.82 8.25 -0.44 -4.08 115.22 112.59 2dn0 n HIS 62 Ca 0.03 -1.11 -0.04 0.00 -0.26 0.00 0.00 57.72 56.34 2dn0 n HIS 62 Cb 0.27 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 2dn0 n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dn0 h ARG 64 N -0.11 0.00 -4.79 0.00 0.11 -1.69 -3.36 114.38 104.54 2dn0 h ARG 64 Ca -0.10 -0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.36 2dn0 h ARG 64 Cb 1.10 -0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.83 2dn0 h ARG 64 CO -0.05 0.00 -0.84 1.21 0.10 0.00 0.00 179.97 180.39 2dn0 s ASN 65 N -5.24 2.77 -0.09 0.08 3.84 -1.26 -5.12 114.94 109.91 2dn0 s ASN 65 Ca -0.15 -0.52 -0.04 0.00 0.21 0.00 0.00 52.86 52.37 2dn0 s ASN 65 Cb 0.23 -1.25 -0.04 0.00 -0.55 0.00 0.00 41.25 39.65 2dn0 s ASN 65 CO 0.76 -0.03 0.06 -0.76 -2.79 0.00 0.00 177.10 174.35 2dn0 s LEU 66 N 1.35 3.94 -0.29 3.21 2.01 -1.26 -4.87 118.68 122.76 2dn0 s LEU 66 Ca 0.03 0.28 -0.29 0.00 0.01 0.00 0.00 54.13 54.16 2dn0 s LEU 66 Cb -0.13 -1.96 0.00 0.00 0.01 0.00 0.00 46.19 44.11 2dn0 s LEU 66 CO -0.10 0.38 1.28 -0.75 1.01 0.00 0.00 176.35 178.18 2dn0 s LYS 67 N -1.02 3.94 -0.55 1.70 2.36 -1.26 -4.94 119.74 119.97 2dn0 s LYS 67 Ca 0.15 1.26 -0.26 0.00 -2.55 0.00 0.00 55.97 54.56 2dn0 s LYS 67 Cb -0.12 -3.86 -0.04 0.00 -1.05 0.00 0.00 37.83 32.76 2dn0 s LYS 67 CO 0.04 -1.08 2.10 0.20 1.55 0.00 0.00 175.35 178.16 2dn0 s GLY 68 N 2.66 -0.07 0.17 5.54 0.00 -1.26 -4.94 107.32 109.42 2dn0 s GLY 68 Ca 0.55 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 45.01 2dn0 s GLY 68 CO 0.22 3.74 -0.15 -0.45 0.00 0.00 0.00 173.10 176.46 2dn0 s SER 69 N 9.86 2.37 0.30 1.64 0.15 -1.26 -5.11 113.70 121.64 2dn0 s SER 69 Ca 0.81 -0.92 -0.29 0.00 0.70 0.00 0.00 55.95 56.25 2dn0 s SER 69 Cb -0.15 -0.11 -0.13 0.00 -1.71 0.00 0.00 66.02 63.92 2dn0 s SER 69 CO 0.23 -0.14 1.21 -1.14 1.20 0.00 0.00 173.24 174.60 2dn0 n ARG 70 N 0.05 1.80 -3.76 5.44 0.63 -1.26 -5.00 116.66 114.56 2dn0 n ARG 70 Ca -0.11 0.63 -0.13 0.00 -0.92 0.00 0.00 57.85 57.32 2dn0 n ARG 70 Cb 0.59 -2.15 -0.09 0.00 0.45 0.00 0.00 32.46 31.25 2dn0 n ARG 70 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dn0 s SER 71 N -0.26 -0.21 0.07 6.15 1.04 -1.26 -5.17 113.70 114.04 2dn0 s SER 71 Ca 0.60 0.18 0.03 0.00 0.48 0.00 0.00 55.95 57.24 2dn0 s SER 71 Cb -0.64 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 2dn0 s SER 71 CO 0.59 -0.39 -0.10 -0.83 0.98 0.00 0.00 173.24 173.49 2dn0 s GLY 72 N -1.07 0.69 0.14 7.32 0.00 -1.26 -5.02 107.32 108.12 2dn0 s GLY 72 Ca -0.11 -0.98 0.19 0.00 0.00 0.00 0.00 44.72 43.82 2dn0 s GLY 72 CO 0.04 -1.03 1.59 -1.55 0.00 0.00 0.00 173.10 172.14 2dn0 n PRO 73 N 1.05 0.11 -1.78 2.90 -0.04 -1.26 -4.61 135.00 131.37 2dn0 n PRO 73 Ca -0.20 0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 2dn0 n PRO 73 Cb 0.56 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2dn0 n PRO 73 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dn0 s SER 74 N -3.67 4.48 -0.48 3.54 1.04 -1.26 -4.90 113.70 112.44 2dn0 s SER 74 Ca 0.05 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.12 2dn0 s SER 74 Cb 0.09 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.70 2dn0 s SER 74 CO 0.33 -3.30 0.65 -0.55 0.98 0.00 0.00 173.24 171.35 2dn0 s SER 75 N 9.70 6.27 0.00 7.02 0.15 -1.26 -5.24 113.70 130.34 2dn0 s SER 75 Ca 0.83 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2dn0 s SER 75 Cb -0.11 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dn0 s SER 75 CO 0.06 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.25