#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nn4 n ASN 2 N 0.00 1.72 -3.76 -1.43 3.02 -1.26 -4.96 115.26 108.60 2nn4 n ASN 2 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 2nn4 n ASN 2 Cb 0.00 0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 2nn4 n ASN 2 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2nn4 s THR 3 N -1.03 0.25 0.18 3.41 -4.23 -1.26 -4.96 115.64 108.00 2nn4 s THR 3 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 2nn4 s THR 3 Cb 0.00 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.47 2nn4 s THR 3 CO 0.00 0.00 1.78 0.15 -0.54 0.00 0.00 174.62 176.01 2nn4 h PHE 4 N 2.06 0.44 -0.25 3.99 3.57 -1.99 -2.39 116.94 122.37 2nn4 h PHE 4 Ca -0.30 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.27 2nn4 h PHE 4 Cb 1.25 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 2nn4 h PHE 4 CO 1.45 0.20 -0.06 1.88 -2.23 0.00 0.00 178.31 179.56 2nn4 h TYR 5 N 0.47 -0.12 -0.71 0.41 0.99 -1.99 -1.80 116.97 114.21 2nn4 h TYR 5 Ca 0.23 0.02 0.10 0.00 2.00 0.00 0.00 58.73 61.08 2nn4 h TYR 5 Cb 0.16 0.09 -0.08 0.00 1.00 0.00 0.00 36.73 37.91 2nn4 h TYR 5 CO -0.11 -0.10 0.34 -0.44 -0.00 0.00 0.00 178.16 177.84 2nn4 h ASP 6 N 0.00 0.42 -0.36 3.88 3.45 -1.85 -0.80 116.42 121.17 2nn4 h ASP 6 Ca 0.12 0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.58 2nn4 h ASP 6 Cb 0.18 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 2nn4 h ASP 6 CO -0.25 0.23 0.01 0.58 -1.57 0.00 0.00 179.24 178.24 2nn4 h VAL 7 N 0.57 1.23 -0.80 -1.35 2.07 -1.02 -1.38 116.25 115.56 2nn4 h VAL 7 Ca 0.36 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2nn4 h VAL 7 Cb 0.41 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2nn4 h VAL 7 CO -0.29 0.33 0.40 1.56 0.02 0.00 0.00 177.57 179.59 2nn4 h GLN 8 N 0.68 1.15 -0.26 1.57 4.20 -0.39 -0.66 115.11 121.41 2nn4 h GLN 8 Ca 0.14 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2nn4 h GLN 8 Cb 0.41 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2nn4 h GLN 8 CO 0.02 0.88 0.01 1.96 -0.67 0.00 0.00 178.83 181.02 2nn4 h GLN 9 N 1.13 0.38 -0.26 1.46 1.08 -0.17 -1.12 115.11 117.61 2nn4 h GLN 9 Ca 0.28 -0.06 -0.19 0.00 -1.45 0.00 0.00 58.65 57.22 2nn4 h GLN 9 Cb 0.10 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2nn4 h GLN 9 CO -0.04 0.40 -0.58 1.25 -0.95 0.00 0.00 178.83 178.92 2nn4 h LEU 10 N 0.37 0.96 -0.58 1.46 5.85 -0.54 -3.15 115.31 119.69 2nn4 h LEU 10 Ca 0.09 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2nn4 h LEU 10 Cb 0.23 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2nn4 h LEU 10 CO 0.00 1.34 0.00 -0.07 -0.34 0.00 0.00 178.44 179.37 2nn4 h LEU 11 N 0.63 0.00 -2.33 2.25 3.38 -0.55 -3.21 115.31 115.48 2nn4 h LEU 11 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2nn4 h LEU 11 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2nn4 h LEU 11 CO 0.13 0.00 0.04 0.11 0.09 0.00 0.00 178.44 178.81 2nn4 h LYS 12 N 0.00 0.00 0.00 1.13 1.57 -1.18 -1.24 116.57 116.85 2nn4 h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nn4 h LYS 12 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2nn4 h LYS 12 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 179.45 180.03 2nn4 h THR 13 N 0.00 0.00 -0.05 -0.16 2.02 -1.74 -3.09 112.91 109.89 2nn4 h THR 13 Ca 0.02 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2nn4 h THR 13 Cb 0.10 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2nn4 h THR 13 CO -0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 2nn4 n PHE 14 N -2.73 0.06 0.00 3.16 3.72 -0.48 -5.09 117.46 116.10 2nn4 n PHE 14 Ca -0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2nn4 n PHE 14 Cb 0.19 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2nn4 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nn4 n GLY 15 N 0.13 3.04 3.65 1.37 0.00 -1.17 -5.14 105.19 107.07 2nn4 n GLY 15 Ca 0.03 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2nn4 n GLY 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2nn4 s HIS 16 N -2.00 1.85 0.06 1.61 2.46 -1.26 -4.06 115.29 113.95 2nn4 s HIS 16 Ca 0.00 1.49 -0.31 0.00 0.47 0.00 0.00 55.06 56.71 2nn4 s HIS 16 Cb 0.00 -3.20 -0.06 0.00 -0.13 0.00 0.00 32.58 29.19 2nn4 s HIS 16 CO 0.00 -2.83 1.22 0.42 -2.47 0.00 0.00 174.74 171.08 2nn4 s ILE 17 N -2.71 3.96 0.20 0.89 1.01 -1.26 -4.93 121.20 118.36 2nn4 s ILE 17 Ca 0.66 1.40 -0.24 0.00 0.00 0.00 0.00 60.65 62.47 2nn4 s ILE 17 Cb -0.21 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2nn4 s ILE 17 CO 0.59 0.10 0.79 0.68 0.00 0.00 0.00 174.94 177.11 2nn4 s VAL 18 N 1.12 4.38 -0.14 2.92 -7.23 -1.26 -5.06 120.40 115.12 2nn4 s VAL 18 Ca 0.59 1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 62.38 2nn4 s VAL 18 Cb -0.30 -4.07 0.05 0.00 0.56 0.00 0.00 36.38 32.62 2nn4 s VAL 18 CO 0.29 0.40 0.04 -0.47 -0.31 0.00 0.00 175.10 175.05 2nn4 s TYR 19 N -1.30 0.70 -0.02 2.82 5.04 -1.26 -4.99 117.35 118.34 2nn4 s TYR 19 Ca 0.39 -0.48 0.11 0.00 -2.44 0.00 0.00 57.07 54.66 2nn4 s TYR 19 Cb -0.21 -0.86 -0.17 0.00 0.35 0.00 0.00 41.96 41.06 2nn4 s TYR 19 CO 0.25 -0.48 0.23 1.19 -1.34 0.00 0.00 175.55 175.40 2nn4 n PHE 20 N 5.14 0.00 0.00 4.97 3.72 -1.26 -5.00 117.46 125.03 2nn4 n PHE 20 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2nn4 n PHE 20 Cb 0.49 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2nn4 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nn4 n GLY 21 N 1.90 1.02 2.86 1.37 0.00 -1.26 -5.05 105.19 106.02 2nn4 n GLY 21 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2nn4 n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nn4 s ASP 22 N -2.00 0.70 0.23 1.61 -1.08 -1.26 -5.04 116.67 109.84 2nn4 s ASP 22 Ca 0.00 0.07 -0.06 0.00 -0.52 0.00 0.00 52.55 52.04 2nn4 s ASP 22 Cb 0.00 0.80 0.37 0.00 -1.46 0.00 0.00 42.92 42.63 2nn4 s ASP 22 CO 0.00 -0.31 1.77 -0.09 0.52 0.00 0.00 175.17 177.07 2nn4 h ARG 23 N 8.24 0.58 0.02 4.34 9.65 -1.99 -1.65 114.38 133.57 2nn4 h ARG 23 Ca -0.18 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.68 2nn4 h ARG 23 Cb 1.15 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 2nn4 h ARG 23 CO 0.27 0.39 -0.11 1.49 2.80 0.00 0.00 179.97 184.80 2nn4 h GLU 24 N 0.60 -0.20 -0.32 0.20 4.81 -1.97 -1.25 114.58 116.46 2nn4 h GLU 24 Ca 0.37 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.57 2nn4 h GLU 24 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2nn4 h GLU 24 CO -0.29 -0.13 0.02 -0.07 -0.73 0.00 0.00 179.01 177.81 2nn4 h LEU 25 N -0.20 0.45 -0.48 1.64 3.38 -1.91 -1.61 115.31 116.58 2nn4 h LEU 25 Ca 0.04 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2nn4 h LEU 25 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2nn4 h LEU 25 CO -0.10 0.50 0.01 -0.33 0.09 0.00 0.00 178.44 178.61 2nn4 h GLU 26 N 0.47 0.84 -0.57 1.13 5.08 -0.91 -0.94 114.58 119.69 2nn4 h GLU 26 Ca 0.11 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2nn4 h GLU 26 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2nn4 h GLU 26 CO 0.01 0.88 0.17 0.82 -1.00 0.00 0.00 179.01 179.88 2nn4 h ILE 27 N 0.70 1.24 -0.84 3.13 2.04 -0.86 -0.34 117.51 122.57 2nn4 h ILE 27 Ca 0.14 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2nn4 h ILE 27 Cb 0.49 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2nn4 h ILE 27 CO 0.02 0.31 0.49 -0.33 0.00 0.00 0.00 178.15 178.64 2nn4 h GLU 28 N 0.79 1.15 -0.18 2.37 5.08 -1.10 0.22 114.58 122.91 2nn4 h GLU 28 Ca 0.18 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2nn4 h GLU 28 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2nn4 h GLU 28 CO -0.00 0.82 -0.02 0.35 -1.00 0.00 0.00 179.01 179.15 2nn4 h PHE 29 N 1.17 0.37 -0.74 4.33 3.57 -0.77 -2.41 116.94 122.45 2nn4 h PHE 29 Ca 0.30 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2nn4 h PHE 29 Cb -0.02 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2nn4 h PHE 29 CO 0.01 0.57 0.25 0.52 -2.23 0.00 0.00 178.31 177.43 2nn4 h MET 30 N 0.06 1.14 -0.55 1.11 2.86 -0.60 0.77 114.93 119.73 2nn4 h MET 30 Ca 0.05 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2nn4 h MET 30 Cb 0.44 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2nn4 h MET 30 CO 0.01 0.96 0.34 -0.07 1.06 0.00 0.00 176.91 179.21 2nn4 h LEU 31 N 1.10 0.57 -0.26 1.22 3.38 -0.54 0.95 115.31 121.73 2nn4 h LEU 31 Ca 0.24 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2nn4 h LEU 31 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2nn4 h LEU 31 CO -0.01 0.41 0.16 0.44 0.09 0.00 0.00 178.44 179.52 2nn4 h ASP 32 N 0.69 0.27 -0.79 -0.43 3.32 -0.86 -1.32 116.42 117.29 2nn4 h ASP 32 Ca 0.21 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2nn4 h ASP 32 Cb -0.02 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2nn4 h ASP 32 CO -0.08 0.19 0.50 -0.08 -1.72 0.00 0.00 179.24 178.06 2nn4 h GLU 33 N 0.33 1.05 -0.73 3.56 4.81 -0.39 -2.34 114.58 120.88 2nn4 h GLU 33 Ca 0.10 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2nn4 h GLU 33 Cb -0.02 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 2nn4 h GLU 33 CO -0.03 0.71 0.47 -0.07 -0.73 0.00 0.00 179.01 179.36 2nn4 h LEU 34 N 1.07 0.81 -0.30 1.64 3.38 -0.37 -1.28 115.31 120.26 2nn4 h LEU 34 Ca 0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2nn4 h LEU 34 Cb -0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2nn4 h LEU 34 CO -0.06 0.58 0.19 0.50 0.09 0.00 0.00 178.44 179.73 2nn4 h LYS 35 N 0.95 0.41 -0.53 1.13 3.64 -0.76 -0.40 116.57 121.02 2nn4 h LYS 35 Ca 0.27 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2nn4 h LYS 35 Cb -0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2nn4 h LYS 35 CO -0.08 0.30 0.24 0.93 -2.27 0.00 0.00 179.45 178.58 2nn4 h GLU 36 N 0.39 0.77 -0.61 1.90 4.39 -1.21 -1.36 114.58 118.85 2nn4 h GLU 36 Ca 0.11 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2nn4 h GLU 36 Cb -0.01 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2nn4 h GLU 36 CO -0.02 0.65 0.40 -0.07 -1.16 0.00 0.00 179.01 178.80 2nn4 h LEU 37 N 0.71 0.71 -0.13 1.33 3.38 -1.03 -1.90 115.31 118.38 2nn4 h LEU 37 Ca 0.18 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2nn4 h LEU 37 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2nn4 h LEU 37 CO -0.02 0.53 0.08 0.22 0.09 0.00 0.00 178.44 179.34 2nn4 h TYR 38 N 0.83 0.17 0.00 1.13 3.20 -0.66 -0.25 116.97 121.39 2nn4 h TYR 38 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2nn4 h TYR 38 Cb -0.08 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2nn4 h TYR 38 CO -0.03 0.15 0.00 0.52 -1.64 0.00 0.00 178.16 177.16 2nn4 h MET 39 N 0.15 0.00 -0.60 1.82 2.86 -1.03 -1.39 114.93 116.75 2nn4 h MET 39 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2nn4 h MET 39 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2nn4 h MET 39 CO -0.01 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.05 2nn4 n ASN 40 N -2.37 4.63 -2.18 1.22 3.02 -0.74 -4.94 115.26 113.91 2nn4 n ASN 40 Ca 0.01 -2.48 -0.17 0.00 -0.03 0.00 0.00 54.58 51.91 2nn4 n ASN 40 Cb 0.17 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 2nn4 n ASN 40 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2nn4 n HIS 41 N 0.94 -0.95 0.20 3.10 8.25 -0.52 -4.84 115.22 121.39 2nn4 n HIS 41 Ca 0.25 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.81 2nn4 n HIS 41 Cb 0.87 -3.28 0.13 0.00 1.12 0.00 0.00 29.99 28.84 2nn4 n HIS 41 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2nn4 h MET 42 N 0.00 0.00 -4.08 -0.41 2.86 -1.26 -3.46 114.93 108.58 2nn4 h MET 42 Ca -0.38 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.09 2nn4 h MET 42 Cb 1.24 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.70 2nn4 h MET 42 CO 0.48 0.10 -0.70 0.96 1.06 0.00 0.00 176.91 178.80 2nn4 s ILE 43 N -3.17 0.17 0.71 -1.22 -4.36 -1.24 -4.99 121.20 107.10 2nn4 s ILE 43 Ca 0.06 -1.11 -0.11 0.00 -0.26 0.00 0.00 60.65 59.23 2nn4 s ILE 43 Cb 0.06 -0.55 0.02 0.00 1.25 0.00 0.00 42.46 43.24 2nn4 s ILE 43 CO 0.69 -0.59 1.07 -1.61 0.24 0.00 0.00 174.94 174.73 2nn4 s GLU 44 N -1.98 2.77 0.23 0.37 0.41 -1.26 -4.70 118.70 114.54 2nn4 s GLU 44 Ca -0.11 1.01 -0.06 0.00 -0.41 0.00 0.00 54.97 55.40 2nn4 s GLU 44 Cb -0.06 -1.97 0.30 0.00 -1.78 0.00 0.00 34.13 30.62 2nn4 s GLU 44 CO -0.03 -1.24 1.85 -0.22 -0.49 0.00 0.00 175.26 175.14 2nn4 h LYS 45 N -0.82 0.92 -0.42 1.61 3.64 -1.99 -1.63 116.57 117.88 2nn4 h LYS 45 Ca -0.44 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2nn4 h LYS 45 Cb 1.22 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2nn4 h LYS 45 CO 0.55 0.61 0.21 1.49 -2.27 0.00 0.00 179.45 180.04 2nn4 h GLU 46 N 0.95 0.61 -0.54 1.90 4.81 -1.99 -0.56 114.58 119.76 2nn4 h GLU 46 Ca 0.35 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 2nn4 h GLU 46 Cb 0.13 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2nn4 h GLU 46 CO -0.16 0.52 -0.03 1.96 -0.73 0.00 0.00 179.01 180.57 2nn4 h GLN 47 N 0.54 0.98 0.12 1.92 7.50 -1.89 -1.44 115.11 122.85 2nn4 h GLN 47 Ca 0.15 -0.33 -0.01 0.00 0.50 0.00 0.00 58.65 58.96 2nn4 h GLN 47 Cb 0.11 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2nn4 h GLN 47 CO -0.02 1.00 -0.06 2.35 -1.50 0.00 0.00 178.83 180.60 2nn4 h TRP 48 N 0.86 -0.15 -0.42 2.96 7.01 -1.13 -0.78 115.95 124.29 2nn4 h TRP 48 Ca 0.15 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2nn4 h TRP 48 Cb 0.58 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 2nn4 h TRP 48 CO 0.04 0.01 0.27 0.00 -2.79 0.00 0.00 178.44 175.96 2nn4 h ALA 49 N 0.58 0.54 -0.43 2.65 0.00 -1.05 -0.53 119.26 121.01 2nn4 h ALA 49 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2nn4 h ALA 49 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2nn4 h ALA 49 CO 0.03 0.01 0.11 -0.09 0.00 0.00 0.00 179.25 179.31 2nn4 h ARG 50 N 0.56 0.69 -0.17 0.00 9.65 -1.22 -2.03 114.38 121.86 2nn4 h ARG 50 Ca 0.15 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2nn4 h ARG 50 Cb -0.03 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2nn4 h ARG 50 CO -0.03 0.69 0.06 0.00 2.80 0.00 0.00 179.97 183.49 2nn4 h ALA 51 N 0.97 0.22 -0.61 2.80 0.00 -0.94 -0.19 119.26 121.50 2nn4 h ALA 51 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2nn4 h ALA 51 Cb 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2nn4 h ALA 51 CO 0.00 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.42 2nn4 h ALA 52 N 0.88 0.81 -0.84 0.00 0.00 -1.05 -0.80 119.26 118.26 2nn4 h ALA 52 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2nn4 h ALA 52 Cb 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2nn4 h ALA 52 CO -0.00 0.04 0.53 0.00 0.00 0.00 0.00 179.25 179.82 2nn4 h ALA 53 N 1.30 1.06 -0.39 0.00 0.00 -1.16 0.13 119.26 120.21 2nn4 h ALA 53 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2nn4 h ALA 53 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2nn4 h ALA 53 CO -0.15 0.50 0.23 0.28 0.00 0.00 0.00 179.25 180.12 2nn4 h VAL 54 N 1.14 1.13 -0.67 0.00 2.07 -0.07 -0.71 116.25 119.15 2nn4 h VAL 54 Ca 0.30 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2nn4 h VAL 54 Cb -0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2nn4 h VAL 54 CO -0.06 0.13 0.14 -0.07 0.02 0.00 0.00 177.57 177.73 2nn4 h LEU 55 N 0.51 1.02 -1.30 2.57 3.38 -0.50 0.39 115.31 121.38 2nn4 h LEU 55 Ca 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2nn4 h LEU 55 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2nn4 h LEU 55 CO -0.03 1.00 0.10 0.03 0.09 0.00 0.00 178.44 179.63 2nn4 h ARG 56 N 1.02 0.58 -0.42 1.13 3.08 -0.44 0.47 114.38 119.79 2nn4 h ARG 56 Ca 0.21 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 2nn4 h ARG 56 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2nn4 h ARG 56 CO 0.01 0.53 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.15 2nn4 h LYS 57 N 0.57 0.79 -0.61 0.04 3.64 -0.40 -2.00 116.57 118.60 2nn4 h LYS 57 Ca 0.13 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2nn4 h LYS 57 Cb 0.21 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2nn4 h LYS 57 CO -0.00 0.89 0.26 0.93 -2.27 0.00 0.00 179.45 179.26 2nn4 h GLU 58 N 0.61 0.90 -0.54 1.90 4.39 -0.18 -2.24 114.58 119.43 2nn4 h GLU 58 Ca 0.11 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2nn4 h GLU 58 Cb 0.58 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2nn4 h GLU 58 CO 0.03 0.76 0.30 1.25 -1.16 0.00 0.00 179.01 180.19 2nn4 h LEU 59 N 0.85 0.47 -1.00 1.33 7.12 0.13 0.13 115.31 124.34 2nn4 h LEU 59 Ca 0.21 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.17 2nn4 h LEU 59 Cb 0.18 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 2nn4 h LEU 59 CO -0.02 0.33 0.08 -0.33 -0.13 0.00 0.00 178.44 178.36 2nn4 h GLU 60 N 0.59 0.80 -0.29 1.25 4.39 -1.14 -2.93 114.58 117.25 2nn4 h GLU 60 Ca 0.23 -0.18 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 2nn4 h GLU 60 Cb 0.08 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2nn4 h GLU 60 CO -0.12 0.76 -0.55 1.96 -1.16 0.00 0.00 179.01 179.90 2nn4 h GLN 61 N 0.76 0.88 0.00 2.33 4.20 -0.74 -3.52 115.11 119.03 2nn4 h GLN 61 Ca 0.16 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2nn4 h GLN 61 Cb 0.35 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2nn4 h GLN 61 CO 0.01 1.19 0.00 2.41 -0.67 0.00 0.00 178.83 181.77