#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 s LYS 3 N 0.00 3.16 -0.34 1.43 1.02 -1.26 -4.42 119.74 119.33 1dk2 s LYS 3 Ca 0.00 1.41 -0.04 0.00 0.02 0.00 0.00 55.97 57.36 1dk2 s LYS 3 Cb 0.00 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1dk2 s LYS 3 CO 0.00 -0.96 0.15 -2.13 -0.92 0.00 0.00 175.35 171.49 1dk2 n ARG 4 N -1.89 -3.22 0.00 1.68 0.63 -1.26 -5.01 116.66 107.59 1dk2 n ARG 4 Ca 0.10 2.63 0.00 0.00 -0.92 0.00 0.00 57.85 59.66 1dk2 n ARG 4 Cb 0.52 -5.45 0.00 0.00 0.45 0.00 0.00 32.46 27.98 1dk2 n ARG 4 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1dk2 n LYS 5 N 0.45 0.00 -2.60 -0.14 0.00 -1.26 -5.07 118.16 109.54 1dk2 n LYS 5 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.09 1dk2 n LYS 5 Cb 0.12 -0.68 0.03 0.00 0.00 0.00 0.00 35.03 34.49 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1dk2 s ALA 6 N -1.82 3.50 0.58 3.14 0.00 -1.26 -5.09 121.76 120.81 1dk2 s ALA 6 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 1dk2 s ALA 6 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1dk2 s ALA 6 CO 0.00 -0.70 0.89 -1.25 0.00 0.00 0.00 175.76 174.70 1dk2 s PRO 7 N -4.85 2.95 0.29 0.00 0.04 -1.26 -5.11 135.00 127.07 1dk2 s PRO 7 Ca 0.53 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 1dk2 s PRO 7 Cb -0.10 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1dk2 s PRO 7 CO 0.42 -0.66 0.40 1.04 0.04 0.00 0.00 177.00 178.23 1dk2 n GLN 8 N -2.55 0.10 -1.44 4.56 6.02 -1.26 -4.99 117.38 117.82 1dk2 n GLN 8 Ca 0.04 -0.90 -0.30 0.00 -0.01 0.00 0.00 57.00 55.83 1dk2 n GLN 8 Cb 0.57 -0.32 0.08 0.00 1.02 0.00 0.00 30.24 31.60 1dk2 n GLN 8 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1dk2 n GLU 9 N -1.77 2.80 -2.89 -1.09 1.02 -1.26 -4.99 120.64 112.46 1dk2 n GLU 9 Ca 0.06 -3.45 -0.21 0.00 -0.02 0.00 0.00 57.16 53.54 1dk2 n GLU 9 Cb 0.21 -2.25 0.07 0.00 -0.02 0.00 0.00 31.44 29.45 1dk2 n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dk2 s THR 10 N -4.56 2.17 0.00 2.62 -4.23 -1.26 -5.11 115.64 105.27 1dk2 s THR 10 Ca 0.60 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1dk2 s THR 10 Cb 0.48 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1dk2 s THR 10 CO 0.01 0.00 0.00 0.18 -0.54 0.00 0.00 174.62 174.27 1dk2 n LEU 11 N -2.42 0.00 -3.52 4.79 4.77 -1.26 -4.40 117.00 114.96 1dk2 n LEU 11 Ca 0.15 -0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.90 1dk2 n LEU 11 Cb 0.61 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.78 1dk2 n LEU 11 CO 0.41 -0.71 0.24 0.59 -1.33 0.00 0.00 177.39 176.58 1dk2 n ASN 12 N -3.00 -6.21 0.00 -1.43 4.13 -1.26 -4.73 115.26 102.76 1dk2 n ASN 12 Ca 0.00 -0.53 0.12 0.00 1.68 0.00 0.00 54.58 55.85 1dk2 n ASN 12 Cb 0.00 -4.93 0.24 0.00 -1.54 0.00 0.00 39.78 33.55 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dk2 n GLY 13 N -1.96 -1.26 0.13 7.41 0.00 -1.26 -3.26 105.19 104.99 1dk2 n GLY 13 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1dk2 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk2 n GLY 14 N 1.49 -0.58 0.07 -0.02 0.00 -1.26 -3.31 105.19 101.58 1dk2 n GLY 14 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1dk2 n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dk2 h ILE 15 N 0.06 1.26 -0.06 -0.61 2.04 -1.98 -2.96 117.51 115.26 1dk2 h ILE 15 Ca -0.42 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.45 1dk2 h ILE 15 Cb 2.03 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1dk2 h ILE 15 CO 0.08 0.25 0.05 0.00 0.00 0.00 0.00 178.15 178.52 1dk2 h THR 16 N -0.50 0.92 -0.38 -0.27 1.03 -1.74 -0.42 112.91 111.55 1dk2 h THR 16 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.36 1dk2 h THR 16 Cb 0.46 0.97 -0.02 0.00 -1.07 0.00 0.00 68.15 68.48 1dk2 h THR 16 CO 0.01 0.00 0.10 -0.78 -0.01 0.00 0.00 175.52 174.84 1dk2 h ASP 17 N 0.00 0.51 0.89 0.00 1.82 -1.51 0.41 116.42 118.54 1dk2 h ASP 17 Ca 0.03 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1dk2 h ASP 17 Cb 0.12 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1dk2 h ASP 17 CO -0.00 0.51 -0.82 0.24 -1.61 0.00 0.00 179.24 177.56 1dk2 h MET 18 N 0.55 0.00 0.09 0.28 2.86 -1.07 -2.84 114.93 114.80 1dk2 h MET 18 Ca 0.13 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.45 1dk2 h MET 18 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1dk2 h MET 18 CO -0.00 0.00 -1.73 -0.07 1.06 0.00 0.00 176.91 176.16 1dk2 h LEU 19 N 0.00 0.29 -0.13 1.22 3.38 -0.49 -3.10 115.31 116.48 1dk2 h LEU 19 Ca 0.00 -0.54 -0.20 0.00 0.09 0.00 0.00 57.88 57.23 1dk2 h LEU 19 Cb 0.86 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1dk2 h LEU 19 CO 0.00 1.47 -0.95 0.58 0.09 0.00 0.00 178.44 179.63 1dk2 h VAL 20 N 0.05 1.65 0.48 1.22 2.07 -0.34 -1.84 116.25 119.54 1dk2 h VAL 20 Ca -0.31 -3.15 -0.02 0.00 0.82 0.00 0.00 66.70 64.03 1dk2 h VAL 20 Cb 2.02 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 34.52 1dk2 h VAL 20 CO 0.12 0.90 -0.23 -0.08 0.02 0.00 0.00 177.57 178.30 1dk2 h GLU 21 N 0.01 -0.62 -0.34 1.57 4.81 -1.62 -3.00 114.58 115.38 1dk2 h GLU 21 Ca -0.02 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1dk2 h GLU 21 Cb 1.66 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.17 1dk2 h GLU 21 CO 0.13 -0.41 0.07 1.37 -0.73 0.00 0.00 179.01 179.43 1dk2 h LEU 22 N -1.12 0.46 -0.77 1.64 8.10 -1.67 -2.54 115.31 119.41 1dk2 h LEU 22 Ca -0.07 -0.07 0.15 0.00 0.11 0.00 0.00 57.88 58.01 1dk2 h LEU 22 Cb 0.49 -0.12 -0.10 0.00 -0.44 0.00 0.00 40.66 40.50 1dk2 h LEU 22 CO 0.11 0.48 0.31 0.00 -4.11 0.00 0.00 178.44 175.24 1dk2 h ALA 23 N 1.58 1.09 -0.53 0.17 0.00 -1.36 0.43 119.26 120.65 1dk2 h ALA 23 Ca 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1dk2 h ALA 23 Cb 0.22 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dk2 h ALA 23 CO -0.00 -0.21 0.15 -0.97 0.00 0.00 0.00 179.25 178.22 1dk2 h ASN 24 N 0.45 0.74 0.31 0.00 -0.73 -1.30 -0.52 115.58 114.53 1dk2 h ASN 24 Ca 0.43 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.46 1dk2 h ASN 24 Cb 0.65 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.05 1dk2 h ASN 24 CO -0.41 0.71 -0.06 0.15 -0.37 0.00 0.00 177.43 177.46 1dk2 h PHE 25 N 0.78 0.00 0.11 0.67 3.04 -0.12 0.43 116.94 121.84 1dk2 h PHE 25 Ca 0.18 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1dk2 h PHE 25 Cb 0.25 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1dk2 h PHE 25 CO 0.01 0.06 -0.05 0.93 -2.02 0.00 0.00 178.31 177.24 1dk2 h GLU 26 N 0.00 -0.14 -0.54 1.11 4.39 0.09 -2.95 114.58 116.54 1dk2 h GLU 26 Ca -0.00 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1dk2 h GLU 26 Cb 0.23 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1dk2 h GLU 26 CO 0.01 0.10 -0.08 -0.22 -1.16 0.00 0.00 179.01 177.66 1dk2 h LYS 27 N -1.01 1.01 -0.11 2.33 3.11 -1.38 -2.41 116.57 118.12 1dk2 h LYS 27 Ca -0.01 -0.37 0.03 0.00 -2.81 0.00 0.00 60.65 57.49 1dk2 h LYS 27 Cb 0.31 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1dk2 h LYS 27 CO 0.02 1.05 0.12 -0.91 -2.81 0.00 0.00 179.45 176.92 1dk2 h ASN 28 N 0.89 0.00 -3.24 4.20 4.21 -0.27 -3.41 115.58 117.96 1dk2 h ASN 28 Ca 0.14 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.18 1dk2 h ASN 28 Cb 0.65 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.89 1dk2 h ASN 28 CO 0.04 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.55 1dk2 s VAL 29 N -4.65 3.86 -0.00 2.81 1.01 -0.91 -5.05 120.40 117.48 1dk2 s VAL 29 Ca -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1dk2 s VAL 29 Cb 0.15 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1dk2 s VAL 29 CO 0.55 -0.42 0.14 -1.28 0.00 0.00 0.00 175.10 174.09 1dk2 h SER 30 N 0.10 -0.00 -0.64 3.32 0.87 -1.80 -3.38 113.55 112.02 1dk2 h SER 30 Ca -0.46 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.39 1dk2 h SER 30 Cb 1.25 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 1dk2 h SER 30 CO 0.59 0.01 2.99 0.00 -0.53 0.00 0.00 176.83 179.89 1dk2 n GLN 31 N -2.07 3.98 -2.70 2.24 1.13 -1.26 -4.37 117.38 114.34 1dk2 n GLN 31 Ca -0.00 -2.91 -0.06 0.00 -1.94 0.00 0.00 57.00 52.08 1dk2 n GLN 31 Cb 0.00 -2.79 0.08 0.00 0.11 0.00 0.00 30.24 27.64 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dk2 n ALA 32 N 3.09 2.37 -0.06 -1.58 0.00 -1.26 -4.91 120.51 118.16 1dk2 n ALA 32 Ca 0.65 -2.05 -0.07 0.00 0.00 0.00 0.00 53.44 51.98 1dk2 n ALA 32 Cb 0.27 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 1dk2 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1dk2 n ILE 33 N -0.55 1.30 -0.02 0.00 0.13 -1.26 -3.40 119.36 115.55 1dk2 n ILE 33 Ca 0.00 -0.79 -0.12 0.00 -1.10 0.00 0.00 62.75 60.74 1dk2 n ILE 33 Cb 0.84 -0.60 -0.06 0.00 -0.84 0.00 0.00 39.64 38.97 1dk2 n ILE 33 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1dk2 h HIS 34 N 0.00 0.18 0.00 9.51 2.07 -1.95 -2.49 115.15 122.47 1dk2 h HIS 34 Ca -0.39 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.05 1dk2 h HIS 34 Cb 2.00 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.92 1dk2 h HIS 34 CO 0.00 0.34 -0.27 1.57 -3.07 0.00 0.00 177.93 176.49 1dk2 h LYS 35 N -0.04 0.00 0.24 5.12 2.10 -1.96 -3.18 116.57 118.85 1dk2 h LYS 35 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1dk2 h LYS 35 Cb 0.25 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.55 1dk2 h LYS 35 CO 0.00 0.27 -0.49 -0.92 -2.00 0.00 0.00 179.45 176.32 1dk2 h TYR 36 N 0.00 -1.40 -0.08 0.07 3.20 -1.46 0.11 116.97 117.41 1dk2 h TYR 36 Ca -0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1dk2 h TYR 36 Cb 0.69 0.58 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1dk2 h TYR 36 CO 0.00 -0.59 0.08 -0.91 -1.64 0.00 0.00 178.16 175.10 1dk2 h ASN 37 N -0.79 0.00 0.34 -2.11 4.21 -1.56 0.23 115.58 115.89 1dk2 h ASN 37 Ca -0.03 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1dk2 h ASN 37 Cb 0.75 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.95 1dk2 h ASN 37 CO -0.19 0.00 -0.24 0.00 -1.29 0.00 0.00 177.43 175.70 1dk2 h ALA 38 N 1.92 -1.04 0.00 -0.83 0.00 -0.97 0.07 119.26 118.41 1dk2 h ALA 38 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1dk2 h ALA 38 Cb 0.19 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1dk2 h ALA 38 CO -0.00 -1.03 -0.50 1.88 0.00 0.00 0.00 179.25 179.60 1dk2 h TYR 39 N -0.55 0.00 0.18 0.00 -1.99 -1.25 -2.78 116.97 110.57 1dk2 h TYR 39 Ca -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1dk2 h TYR 39 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1dk2 h TYR 39 CO -0.05 0.50 -0.08 -0.09 -0.00 0.00 0.00 178.16 178.44 1dk2 h ARG 40 N 0.00 -0.23 -0.28 4.88 9.65 -0.47 0.42 114.38 128.36 1dk2 h ARG 40 Ca -0.01 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1dk2 h ARG 40 Cb 1.21 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1dk2 h ARG 40 CO 0.07 -0.00 0.02 0.87 2.80 0.00 0.00 179.97 183.73 1dk2 h LYS 41 N -0.42 0.48 -0.58 0.20 1.79 -1.04 -2.65 116.57 114.34 1dk2 h LYS 41 Ca -0.02 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 1dk2 h LYS 41 Cb 0.33 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1dk2 h LYS 41 CO 0.04 0.61 0.20 0.00 -1.08 0.00 0.00 179.45 179.22 1dk2 h ALA 42 N 0.85 1.27 0.00 3.86 0.00 -1.44 -1.35 119.26 122.45 1dk2 h ALA 42 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dk2 h ALA 42 Cb 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dk2 h ALA 42 CO 0.01 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 1dk2 h ALA 43 N 1.38 1.35 0.00 0.00 0.00 0.08 -0.42 119.26 121.65 1dk2 h ALA 43 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1dk2 h ALA 43 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1dk2 h ALA 43 CO -0.01 0.15 -0.76 1.03 0.00 0.00 0.00 179.25 179.66 1dk2 h SER 44 N 0.00 0.00 -0.25 0.00 0.87 -0.96 -2.06 113.55 111.14 1dk2 h SER 44 Ca -0.00 -0.63 -0.03 0.00 -1.23 0.00 0.00 61.79 59.89 1dk2 h SER 44 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1dk2 h SER 44 CO 0.02 1.26 0.07 1.62 -0.53 0.00 0.00 176.83 179.26 1dk2 h VAL 45 N -1.00 1.17 0.18 2.23 3.04 -1.23 0.83 116.25 121.46 1dk2 h VAL 45 Ca -0.20 -0.60 -0.30 0.00 -1.01 0.00 0.00 66.70 64.58 1dk2 h VAL 45 Cb 1.12 0.84 0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1dk2 h VAL 45 CO -0.12 0.21 -1.46 0.40 -1.01 0.00 0.00 177.57 175.59 1dk2 h ILE 46 N 0.49 1.14 0.00 3.17 2.04 -1.22 -3.08 117.51 120.04 1dk2 h ILE 46 Ca 0.11 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1dk2 h ILE 46 Cb 0.21 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1dk2 h ILE 46 CO -0.00 0.79 0.00 0.00 0.00 0.00 0.00 178.15 178.94 1dk2 h ALA 47 N 0.08 1.00 -0.43 1.87 0.00 -1.22 -3.19 119.26 117.37 1dk2 h ALA 47 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1dk2 h ALA 47 Cb 1.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 1dk2 h ALA 47 CO 0.17 0.00 0.06 1.17 0.00 0.00 0.00 179.25 180.65 1dk2 n LYS 48 N -2.71 2.95 -3.60 0.00 0.00 0.29 -4.67 118.16 110.41 1dk2 n LYS 48 Ca 0.04 -3.00 -0.35 0.00 0.00 0.00 0.00 58.31 55.01 1dk2 n LYS 48 Cb 0.47 -1.96 -0.05 0.00 0.00 0.00 0.00 35.03 33.49 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1dk2 s TYR 49 N -2.97 3.59 -2.17 5.64 5.04 -1.16 -4.93 117.35 120.38 1dk2 s TYR 49 Ca 0.47 0.76 0.19 0.00 -2.44 0.00 0.00 57.07 56.05 1dk2 s TYR 49 Cb 0.39 -2.14 0.81 0.00 0.35 0.00 0.00 41.96 41.37 1dk2 s TYR 49 CO 0.08 0.54 1.56 -0.35 -1.34 0.00 0.00 175.55 176.04 1dk2 n PRO 50 N 0.96 1.49 -2.99 4.97 -0.04 -1.26 -4.21 135.00 133.92 1dk2 n PRO 50 Ca -0.09 -0.74 -0.09 0.00 -0.04 0.00 0.00 63.50 62.55 1dk2 n PRO 50 Cb 0.52 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 1dk2 n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1dk2 n HIS 51 N -0.03 -0.87 -4.07 0.54 8.25 -1.26 -4.89 115.22 112.89 1dk2 n HIS 51 Ca 0.15 -1.37 -0.22 0.00 -0.26 0.00 0.00 57.72 56.02 1dk2 n HIS 51 Cb 0.24 0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 1dk2 n HIS 51 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dk2 s LYS 52 N -2.52 2.95 -0.18 -0.41 1.02 -1.26 -4.68 119.74 114.65 1dk2 s LYS 52 Ca 0.18 -1.06 -0.08 0.00 0.02 0.00 0.00 55.97 55.03 1dk2 s LYS 52 Cb -0.00 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1dk2 s LYS 52 CO 0.13 0.37 0.10 0.42 -0.92 0.00 0.00 175.35 175.44 1dk2 s ILE 53 N -2.14 5.14 -0.04 2.17 1.01 -1.26 -5.02 121.20 121.05 1dk2 s ILE 53 Ca 0.34 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 1dk2 s ILE 53 Cb -0.08 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 1dk2 s ILE 53 CO 0.25 0.48 0.13 0.11 0.00 0.00 0.00 174.94 175.91 1dk2 h LYS 54 N 6.42 -0.07 -5.72 2.79 1.57 -1.99 -3.48 116.57 116.09 1dk2 h LYS 54 Ca -0.41 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.77 1dk2 h LYS 54 Cb 1.17 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.41 1dk2 h LYS 54 CO 0.71 -0.04 -0.44 -1.54 -0.57 0.00 0.00 179.45 177.57 1dk2 s SER 55 N -4.06 4.40 0.40 0.86 1.04 -1.26 -4.81 113.70 110.27 1dk2 s SER 55 Ca -0.01 -1.29 0.09 0.00 0.48 0.00 0.00 55.95 55.22 1dk2 s SER 55 Cb 0.00 0.07 0.85 0.00 0.10 0.00 0.00 66.02 67.04 1dk2 s SER 55 CO 0.03 -0.81 1.97 1.23 0.98 0.00 0.00 173.24 176.65 1dk2 h GLY 56 N 1.19 0.32 1.59 7.32 0.00 -1.82 -1.79 103.07 109.88 1dk2 h GLY 56 Ca -0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1dk2 h GLY 56 CO 0.67 0.16 0.09 0.00 0.00 0.00 0.00 176.54 177.46 1dk2 h ALA 57 N 1.70 1.49 0.00 3.60 0.00 -1.95 -0.97 119.26 123.12 1dk2 h ALA 57 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 57 Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dk2 h ALA 57 CO 0.01 0.38 -0.12 0.93 0.00 0.00 0.00 179.25 180.45 1dk2 h GLU 58 N 0.52 0.00 0.00 0.00 5.08 -1.71 -2.40 114.58 116.06 1dk2 h GLU 58 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 1dk2 h GLU 58 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1dk2 h GLU 58 CO -0.00 0.12 -1.22 0.00 -1.00 0.00 0.00 179.01 176.90 1dk2 h ALA 59 N 1.88 0.58 -0.08 3.43 0.00 -1.17 -3.33 119.26 120.57 1dk2 h ALA 59 Ca -0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 54.91 53.66 1dk2 h ALA 59 Cb 0.45 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dk2 h ALA 59 CO 0.02 1.22 -0.87 -0.22 0.00 0.00 0.00 179.25 179.40 1dk2 h LYS 60 N 0.00 0.66 -0.03 0.00 3.11 -1.00 -3.09 116.57 116.23 1dk2 h LYS 60 Ca -0.12 -0.61 0.01 0.00 -2.81 0.00 0.00 60.65 57.12 1dk2 h LYS 60 Cb 1.77 0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 33.14 1dk2 h LYS 60 CO 0.09 1.22 0.03 1.57 -2.81 0.00 0.00 179.45 179.54 1dk2 h LYS 61 N 0.42 0.00 -7.09 1.90 2.10 -1.56 -3.43 116.57 108.91 1dk2 h LYS 61 Ca -0.08 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.08 1dk2 h LYS 61 Cb 1.50 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.89 1dk2 h LYS 61 CO 0.17 0.00 0.41 -0.51 -2.00 0.00 0.00 179.45 177.52 1dk2 s LEU 62 N -8.01 3.77 -0.55 7.07 1.43 -1.17 -4.95 118.68 116.27 1dk2 s LEU 62 Ca -0.05 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.85 1dk2 s LEU 62 Cb 0.16 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.82 1dk2 s LEU 62 CO 0.58 -1.07 1.32 -2.16 0.23 0.00 0.00 176.35 175.24 1dk2 s PRO 63 N -3.30 3.43 0.00 1.29 0.04 -1.26 -3.32 135.00 131.88 1dk2 s PRO 63 Ca 0.71 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1dk2 s PRO 63 Cb -0.21 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1dk2 s PRO 63 CO 0.25 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1dk2 n GLY 64 N 5.14 1.45 3.85 0.56 0.00 -1.26 -4.65 105.19 110.28 1dk2 n GLY 64 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1dk2 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dk2 s VAL 65 N 0.00 4.83 0.00 1.61 1.01 -1.21 -3.14 120.40 123.50 1dk2 s VAL 65 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1dk2 s VAL 65 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1dk2 s VAL 65 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1dk2 n GLY 66 N 0.58 2.51 0.13 4.51 0.00 -1.26 -4.86 105.19 106.79 1dk2 n GLY 66 Ca -0.04 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 1dk2 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dk2 n THR 67 N 0.00 1.48 -0.03 2.61 -2.24 -1.26 -3.51 114.28 111.33 1dk2 n THR 67 Ca 0.00 -0.57 -0.16 0.00 -2.27 0.00 0.00 64.05 61.05 1dk2 n THR 67 Cb 0.00 -1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 66.75 1dk2 n THR 67 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1dk2 h LYS 68 N 0.00 0.43 -0.34 -0.78 2.10 -2.00 -2.73 116.57 113.24 1dk2 h LYS 68 Ca -0.58 -0.35 -0.15 0.00 -2.00 0.00 0.00 60.65 57.57 1dk2 h LYS 68 Cb 1.90 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 33.30 1dk2 h LYS 68 CO -0.09 0.99 -0.38 0.82 -2.00 0.00 0.00 179.45 178.79 1dk2 h ILE 69 N -0.02 1.28 -0.85 0.07 1.08 -1.90 -2.99 117.51 114.18 1dk2 h ILE 69 Ca -0.03 -1.56 0.02 0.00 -0.39 0.00 0.00 64.86 62.90 1dk2 h ILE 69 Cb 1.07 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.20 1dk2 h ILE 69 CO 0.09 0.51 0.56 0.00 -0.69 0.00 0.00 178.15 178.62 1dk2 h ALA 70 N 0.89 1.08 -0.83 1.87 0.00 -1.60 -1.73 119.26 118.94 1dk2 h ALA 70 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dk2 h ALA 70 Cb 0.95 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1dk2 h ALA 70 CO 0.09 0.45 0.51 0.93 0.00 0.00 0.00 179.25 181.23 1dk2 h GLU 71 N 1.12 1.11 -0.02 0.00 4.39 -1.37 -1.00 114.58 118.82 1dk2 h GLU 71 Ca 0.32 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1dk2 h GLU 71 Cb -0.10 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.31 1dk2 h GLU 71 CO -0.08 0.77 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.22 1dk2 h LYS 72 N 1.14 0.03 -0.33 2.33 3.64 -1.18 -2.25 116.57 119.94 1dk2 h LYS 72 Ca 0.30 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1dk2 h LYS 72 Cb -0.06 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1dk2 h LYS 72 CO -0.06 0.13 0.09 0.82 -2.27 0.00 0.00 179.45 178.17 1dk2 h ILE 73 N 0.03 1.21 -0.96 2.00 1.08 -0.84 -2.65 117.51 117.38 1dk2 h ILE 73 Ca 0.01 -0.71 0.11 0.00 -0.39 0.00 0.00 64.86 63.88 1dk2 h ILE 73 Cb 0.20 1.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 1dk2 h ILE 73 CO 0.01 0.24 0.59 -0.78 -0.69 0.00 0.00 178.15 177.52 1dk2 h ASP 74 N 0.38 0.87 -0.06 1.72 1.82 -1.28 0.18 116.42 120.05 1dk2 h ASP 74 Ca 0.11 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1dk2 h ASP 74 Cb 0.27 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1dk2 h ASP 74 CO -0.00 0.47 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.71 1dk2 h GLU 75 N 0.95 0.29 0.21 0.28 3.07 -1.38 0.46 114.58 118.47 1dk2 h GLU 75 Ca 0.47 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 1dk2 h GLU 75 Cb 0.44 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1dk2 h GLU 75 CO -0.26 0.37 -0.10 0.74 -1.40 0.00 0.00 179.01 178.36 1dk2 h PHE 76 N 0.28 -0.27 0.00 4.33 0.04 -0.34 -3.02 116.94 117.96 1dk2 h PHE 76 Ca 0.06 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1dk2 h PHE 76 Cb 0.29 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1dk2 h PHE 76 CO 0.01 0.06 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.56 1dk2 h LEU 77 N -0.62 0.00 0.00 1.54 -0.00 -1.08 -3.27 115.31 111.88 1dk2 h LEU 77 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1dk2 h LEU 77 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1dk2 h LEU 77 CO 0.05 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.63 1dk2 n ALA 78 N -2.17 -0.08 0.00 1.53 0.00 0.16 -4.82 120.51 115.13 1dk2 n ALA 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1dk2 n ALA 78 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1dk2 n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1dk2 n THR 79 N -0.76 0.00 0.00 0.00 5.66 -1.19 -5.07 114.28 112.92 1dk2 n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1dk2 n THR 79 Cb 0.00 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dk2 n GLY 80 N 2.77 3.78 2.56 1.09 0.00 -1.15 -5.02 105.19 109.23 1dk2 n GLY 80 Ca 0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1dk2 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dk2 n LYS 81 N 0.00 0.86 -3.75 1.61 4.81 -1.26 -4.71 118.16 115.72 1dk2 n LYS 81 Ca 0.00 -3.69 -0.36 0.00 -0.87 0.00 0.00 58.31 53.39 1dk2 n LYS 81 Cb 0.00 -1.89 -0.11 0.00 0.02 0.00 0.00 35.03 33.06 1dk2 n LYS 81 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1dk2 s LEU 82 N -0.61 5.20 0.24 3.14 2.96 -1.26 -5.08 118.68 123.28 1dk2 s LEU 82 Ca 0.30 -2.56 -0.30 0.00 -0.22 0.00 0.00 54.13 51.36 1dk2 s LEU 82 Cb 0.02 -1.84 -0.09 0.00 0.50 0.00 0.00 46.19 44.79 1dk2 s LEU 82 CO -0.18 -0.43 1.09 -0.60 -1.32 0.00 0.00 176.35 174.92 1dk2 s ARG 83 N 0.37 4.63 -0.31 1.98 3.52 -1.26 -4.95 118.95 122.93 1dk2 s ARG 83 Ca 0.14 1.77 0.01 0.00 -0.13 0.00 0.00 55.73 57.51 1dk2 s ARG 83 Cb -0.21 -3.22 0.19 0.00 -1.56 0.00 0.00 34.95 30.15 1dk2 s ARG 83 CO -0.04 0.18 0.75 0.15 -0.81 0.00 0.00 175.30 175.53 1dk2 s LYS 84 N -1.08 0.46 0.00 5.12 1.02 -1.26 -5.08 119.74 118.92 1dk2 s LYS 84 Ca 0.46 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1dk2 s LYS 84 Cb -0.31 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1dk2 s LYS 84 CO 0.39 -0.81 0.39 1.28 -0.92 0.00 0.00 175.35 175.68 1dk2 n LEU 85 N 5.07 0.61 -4.72 3.17 7.99 -1.26 -4.90 117.00 122.96 1dk2 n LEU 85 Ca 0.07 0.54 -0.23 0.00 -0.01 0.00 0.00 56.01 56.38 1dk2 n LEU 85 Cb 0.56 -0.30 -0.06 0.00 -0.11 0.00 0.00 43.42 43.51 1dk2 n LEU 85 CO -0.08 -0.30 -0.26 -1.83 -1.51 0.00 0.00 177.39 173.41 1dk2 s GLU 86 N -1.38 2.58 0.00 3.23 -1.05 -1.26 -5.24 118.70 115.58 1dk2 s GLU 86 Ca 0.00 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 1dk2 s GLU 86 Cb 0.00 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 1dk2 s GLU 86 CO 0.00 0.40 0.00 0.36 0.95 0.00 0.00 175.26 176.97