#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 n TYR 2 N 0.00 -0.57 -3.79 2.03 4.01 -1.26 -5.02 117.16 112.56 1pm6 n TYR 2 Ca 0.00 0.31 -0.14 0.00 -0.16 0.00 0.00 57.90 57.91 1pm6 n TYR 2 Cb 0.00 -0.61 -0.15 0.00 -0.31 0.00 0.00 39.34 38.27 1pm6 n TYR 2 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pm6 s LEU 3 N -4.21 1.24 0.60 7.72 2.96 0.92 -4.72 118.68 123.18 1pm6 s LEU 3 Ca 0.00 0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 1pm6 s LEU 3 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 1pm6 s LEU 3 CO 0.00 -0.10 1.32 -0.89 -1.32 0.00 0.00 176.35 175.36 1pm6 s THR 4 N 0.85 2.07 0.15 3.68 2.01 -1.26 -0.59 115.64 122.54 1pm6 s THR 4 Ca -0.07 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 1pm6 s THR 4 Cb -0.10 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.41 1pm6 s THR 4 CO -0.03 -0.01 1.64 0.25 -0.69 0.00 0.00 174.62 175.79 1pm6 h LEU 5 N 0.93 -0.65 -0.97 4.42 6.46 -1.97 0.17 115.31 123.69 1pm6 h LEU 5 Ca -0.51 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1pm6 h LEU 5 Cb 1.32 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 41.54 1pm6 h LEU 5 CO 0.55 -0.24 0.18 -0.61 -0.62 0.00 0.00 178.44 177.69 1pm6 h GLN 6 N -0.21 0.93 -0.50 1.25 4.15 -1.93 -1.51 115.11 117.29 1pm6 h GLN 6 Ca 0.13 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1pm6 h GLN 6 Cb 0.41 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1pm6 h GLN 6 CO -0.35 0.80 0.20 0.93 -1.93 0.00 0.00 178.83 178.48 1pm6 h GLU 7 N 0.90 0.75 -0.24 1.69 4.39 -1.80 -1.57 114.58 118.70 1pm6 h GLU 7 Ca 0.20 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1pm6 h GLU 7 Cb 0.27 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1pm6 h GLU 7 CO -0.01 0.67 -0.09 2.35 -1.16 0.00 0.00 179.01 180.77 1pm6 h TRP 8 N 0.67 -0.22 -0.64 4.33 7.01 -0.64 -0.99 115.95 125.47 1pm6 h TRP 8 Ca 0.17 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.32 1pm6 h TRP 8 Cb 0.20 0.13 -0.09 0.00 -2.10 0.00 0.00 29.16 27.30 1pm6 h TRP 8 CO 0.01 -0.15 0.14 -0.97 -2.79 0.00 0.00 178.44 174.68 1pm6 h ASN 9 N -0.05 0.01 -0.59 2.65 -1.24 -1.21 -1.11 115.58 114.04 1pm6 h ASN 9 Ca 0.12 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 1pm6 h ASN 9 Cb 0.24 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 1pm6 h ASN 9 CO -0.28 0.00 0.23 0.00 -1.29 0.00 0.00 177.43 176.10 1pm6 h ALA 10 N 1.51 1.23 0.00 1.57 0.00 -1.17 -3.15 119.26 119.26 1pm6 h ALA 10 Ca 0.34 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1pm6 h ALA 10 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pm6 h ALA 10 CO -0.43 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.00 1pm6 h ARG 11 N 0.90 0.00 -4.32 0.00 -0.00 -0.74 -3.36 114.38 106.86 1pm6 h ARG 11 Ca 0.21 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 59.02 1pm6 h ARG 11 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.18 1pm6 h ARG 11 CO -0.02 0.37 2.64 1.04 0.00 0.00 0.00 179.97 184.01 1pm6 n GLN 12 N -4.05 2.15 0.00 0.04 1.13 -0.46 -4.81 117.38 111.39 1pm6 n GLN 12 Ca -0.02 -2.24 0.00 0.00 -1.94 0.00 0.00 57.00 52.81 1pm6 n GLN 12 Cb 0.41 -3.12 0.00 0.00 0.11 0.00 0.00 30.24 27.64 1pm6 n GLN 12 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1pm6 n ARG 13 N 6.67 0.00 -3.81 -1.09 1.74 -1.26 -4.74 116.66 114.17 1pm6 n ARG 13 Ca 0.51 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.47 1pm6 n ARG 13 Cb 0.40 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.75 1pm6 n ARG 13 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pm6 s ARG 14 N 0.00 0.63 -0.33 5.56 0.52 -1.26 -4.99 118.95 119.08 1pm6 s ARG 14 Ca 0.00 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 1pm6 s ARG 14 Cb 0.00 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.75 1pm6 s ARG 14 CO 0.00 -0.17 1.24 -1.25 0.02 0.00 0.00 175.30 175.14 1pm6 s PRO 15 N -1.73 3.90 0.00 3.54 0.04 -1.21 -4.63 135.00 134.92 1pm6 s PRO 15 Ca -0.11 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1pm6 s PRO 15 Cb -0.05 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1pm6 s PRO 15 CO 0.01 -1.14 0.36 0.54 0.04 0.00 0.00 177.00 176.81 1pm6 n ARG 16 N 7.34 0.00 -0.56 4.56 1.74 -1.26 -4.92 116.66 123.56 1pm6 n ARG 16 Ca 0.14 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1pm6 n ARG 16 Cb 0.47 -0.93 -0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1pm6 n ARG 16 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pm6 n SER 17 N -0.98 -0.04 0.00 0.55 2.88 -1.26 -5.06 113.62 109.71 1pm6 n SER 17 Ca 0.00 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1pm6 n SER 17 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1pm6 n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pm6 n LEU 18 N 0.01 0.00 -0.19 2.46 4.77 -1.26 -4.55 117.00 118.24 1pm6 n LEU 18 Ca -0.02 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.18 1pm6 n LEU 18 Cb 0.59 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.27 1pm6 n LEU 18 CO -0.01 0.00 1.23 -0.33 -1.33 0.00 0.00 177.39 176.95 1pm6 h GLU 19 N 0.00 0.23 0.12 3.23 5.08 -1.98 -1.64 114.58 119.63 1pm6 h GLU 19 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1pm6 h GLU 19 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1pm6 h GLU 19 CO 0.00 0.15 -0.19 1.15 -1.00 0.00 0.00 179.01 179.12 1pm6 h THR 20 N 0.24 0.57 -0.59 1.13 2.02 -1.97 0.07 112.91 114.38 1pm6 h THR 20 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1pm6 h THR 20 Cb 1.30 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1pm6 h THR 20 CO -0.10 0.00 0.37 0.58 0.37 0.00 0.00 175.52 176.74 1pm6 h VAL 21 N -0.38 1.16 -0.72 3.16 2.07 -1.86 -1.23 116.25 118.45 1pm6 h VAL 21 Ca 0.02 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.31 1pm6 h VAL 21 Cb 0.39 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 1pm6 h VAL 21 CO -0.10 0.16 0.36 -0.09 0.02 0.00 0.00 177.57 177.92 1pm6 h ARG 22 N 0.79 0.59 -0.60 1.57 1.12 -1.28 -0.92 114.38 115.65 1pm6 h ARG 22 Ca 0.21 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.00 1pm6 h ARG 22 Cb -0.06 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 29.74 1pm6 h ARG 22 CO -0.04 0.39 0.18 -0.09 -3.11 0.00 0.00 179.97 177.29 1pm6 h ARG 23 N 0.60 0.95 -0.98 0.20 2.43 -0.80 -1.38 114.38 115.40 1pm6 h ARG 23 Ca 0.36 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1pm6 h ARG 23 Cb 0.39 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 1pm6 h ARG 23 CO -0.28 0.85 0.64 -1.49 -1.51 0.00 0.00 179.97 178.18 1pm6 h TRP 24 N 0.86 1.20 -0.00 2.20 6.55 -0.99 0.27 115.95 126.04 1pm6 h TRP 24 Ca 0.19 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.06 1pm6 h TRP 24 Cb 0.31 -0.40 -0.00 0.00 -0.86 0.00 0.00 29.16 28.21 1pm6 h TRP 24 CO 0.02 0.69 0.00 0.28 -1.05 0.00 0.00 178.44 178.39 1pm6 h VAL 25 N 1.24 1.23 -0.86 1.49 2.07 -1.18 -2.80 116.25 117.44 1pm6 h VAL 25 Ca 0.39 -0.66 0.14 0.00 0.82 0.00 0.00 66.70 67.38 1pm6 h VAL 25 Cb -0.00 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 1pm6 h VAL 25 CO -0.12 0.17 0.46 0.03 0.02 0.00 0.00 177.57 178.13 1pm6 h ARG 26 N -0.28 0.66 0.00 1.57 2.47 -1.17 -1.40 114.38 116.23 1pm6 h ARG 26 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pm6 h ARG 26 Cb 0.28 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1pm6 h ARG 26 CO 0.00 0.44 0.00 -1.91 0.56 0.00 0.00 179.97 179.06 1pm6 n GLU 27 N -4.83 0.03 -3.47 0.04 4.07 0.07 -4.95 120.64 111.61 1pm6 n GLU 27 Ca 0.17 0.43 -0.20 0.00 -0.06 0.00 0.00 57.16 57.49 1pm6 n GLU 27 Cb 0.40 -1.58 0.08 0.00 -0.06 0.00 0.00 31.44 30.28 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pm6 n SER 28 N -1.65 -4.27 -2.89 4.31 7.64 -0.53 -5.00 113.62 111.23 1pm6 n SER 28 Ca 0.01 -0.56 -0.21 0.00 1.01 0.00 0.00 58.87 59.12 1pm6 n SER 28 Cb 0.08 -4.91 -0.02 0.00 -1.01 0.00 0.00 64.21 58.35 1pm6 n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pm6 n ARG 29 N -4.46 2.24 -3.74 1.43 1.74 -1.07 -4.97 116.66 107.84 1pm6 n ARG 29 Ca -0.13 -4.09 -0.22 0.00 -0.77 0.00 0.00 57.85 52.64 1pm6 n ARG 29 Cb 0.61 -1.92 -0.18 0.00 -1.02 0.00 0.00 32.46 29.95 1pm6 n ARG 29 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pm6 s ILE 30 N -3.82 0.25 -0.02 0.55 -1.09 -1.26 -1.88 121.20 113.93 1pm6 s ILE 30 Ca 0.43 0.16 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 1pm6 s ILE 30 Cb 0.35 -0.46 0.01 0.00 -1.58 0.00 0.00 42.46 40.78 1pm6 s ILE 30 CO -0.10 0.21 -0.05 0.12 -1.23 0.00 0.00 174.94 173.89 1pm6 s PHE 31 N 2.02 0.59 0.64 3.97 5.36 -0.10 -3.97 117.98 126.49 1pm6 s PHE 31 Ca 0.05 -0.13 -0.15 0.00 -0.96 0.00 0.00 56.93 55.74 1pm6 s PHE 31 Cb -0.12 -0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 42.08 1pm6 s PHE 31 CO -0.05 -0.08 1.09 -1.25 -1.46 0.00 0.00 175.22 173.47 1pm6 s PRO 32 N 0.34 2.96 0.46 10.12 0.04 -1.26 -1.58 135.00 146.08 1pm6 s PRO 32 Ca -0.04 1.30 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1pm6 s PRO 32 Cb -0.08 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1pm6 s PRO 32 CO -0.00 -1.11 1.25 -1.25 0.04 0.00 0.00 177.00 175.93 1pm6 s PRO 33 N -4.16 3.68 0.40 0.56 0.04 -1.25 -4.56 135.00 129.71 1pm6 s PRO 33 Ca 0.65 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 63.43 1pm6 s PRO 33 Cb -0.19 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 1pm6 s PRO 33 CO 0.41 -0.67 1.15 -1.25 0.04 0.00 0.00 177.00 176.68 1pm6 s PRO 34 N -2.60 4.06 -0.49 0.56 0.04 -1.26 -4.81 135.00 130.49 1pm6 s PRO 34 Ca 0.63 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 1pm6 s PRO 34 Cb -0.34 -2.65 0.03 0.00 0.04 0.00 0.00 34.50 31.58 1pm6 s PRO 34 CO 0.42 -0.30 1.22 0.08 0.04 0.00 0.00 177.00 178.45 1pm6 s VAL 35 N -1.45 4.09 -0.49 -0.36 1.01 0.08 -4.73 120.40 118.55 1pm6 s VAL 35 Ca 0.57 1.08 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1pm6 s VAL 35 Cb -0.29 -4.55 0.03 0.00 0.00 0.00 0.00 36.38 31.56 1pm6 s VAL 35 CO 0.37 -1.04 1.22 -0.75 0.00 0.00 0.00 175.10 174.90 1pm6 s LYS 36 N 4.70 3.63 -0.26 2.72 2.36 -1.26 -1.16 119.74 130.47 1pm6 s LYS 36 Ca 0.50 0.57 -0.03 0.00 -2.55 0.00 0.00 55.97 54.45 1pm6 s LYS 36 Cb -0.08 -3.97 0.09 0.00 -1.05 0.00 0.00 37.83 32.82 1pm6 s LYS 36 CO 0.31 -1.51 0.10 0.34 1.55 0.00 0.00 175.35 176.13 1pm6 s ASP 37 N 2.97 3.35 -1.28 1.43 -1.08 -0.45 -4.89 116.67 116.73 1pm6 s ASP 37 Ca 0.50 -1.18 -0.04 0.00 -0.52 0.00 0.00 52.55 51.31 1pm6 s ASP 37 Cb -0.09 -0.51 0.01 0.00 -1.46 0.00 0.00 42.92 40.87 1pm6 s ASP 37 CO 0.30 -0.39 1.06 0.61 0.52 0.00 0.00 175.17 177.27 1pm6 n GLY 38 N 5.11 -0.44 2.76 2.66 0.00 -1.26 -1.98 105.19 112.06 1pm6 n GLY 38 Ca -0.06 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1pm6 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pm6 n ARG 39 N -4.50 -1.60 -3.84 1.61 0.63 -1.26 -5.02 116.66 102.68 1pm6 n ARG 39 Ca -0.16 0.67 -0.36 0.00 -0.92 0.00 0.00 57.85 57.07 1pm6 n ARG 39 Cb 0.62 -4.97 -0.13 0.00 0.45 0.00 0.00 32.46 28.43 1pm6 n ARG 39 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1pm6 s GLU 40 N -2.34 2.75 -0.66 -0.14 2.12 -0.84 -5.07 118.70 114.52 1pm6 s GLU 40 Ca 0.00 -1.07 -0.27 0.00 0.36 0.00 0.00 54.97 53.99 1pm6 s GLU 40 Cb 0.00 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 31.16 1pm6 s GLU 40 CO 0.00 -0.54 1.21 0.71 -0.54 0.00 0.00 175.26 176.11 1pm6 s TYR 41 N 1.38 2.45 -0.50 5.30 2.02 -1.26 -1.34 117.35 125.40 1pm6 s TYR 41 Ca -0.01 0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.59 1pm6 s TYR 41 Cb -0.18 -4.54 0.05 0.00 -0.40 0.00 0.00 41.96 36.88 1pm6 s TYR 41 CO 0.00 -1.83 0.71 -0.51 -1.57 0.00 0.00 175.55 172.35 1pm6 s LEU 42 N 5.26 4.63 0.91 -1.29 1.43 -0.31 -3.58 118.68 125.73 1pm6 s LEU 42 Ca 0.37 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1pm6 s LEU 42 Cb -0.08 -2.62 0.13 0.00 0.03 0.00 0.00 46.19 43.65 1pm6 s LEU 42 CO 0.19 -0.95 1.09 -0.36 0.23 0.00 0.00 176.35 176.55 1pm6 s PHE 43 N 3.02 2.28 0.41 0.29 0.40 0.24 -0.74 117.98 123.87 1pm6 s PHE 43 Ca 0.21 1.25 -0.23 0.00 -0.60 0.00 0.00 56.93 57.56 1pm6 s PHE 43 Cb -0.16 -3.17 -0.10 0.00 0.51 0.00 0.00 43.02 40.10 1pm6 s PHE 43 CO 0.16 -2.45 1.00 -1.58 0.70 0.00 0.00 175.22 173.05 1pm6 s HIS 44 N -2.92 3.31 0.28 0.36 5.65 -1.26 -0.06 115.29 120.65 1pm6 s HIS 44 Ca 0.64 1.65 0.02 0.00 0.25 0.00 0.00 55.06 57.62 1pm6 s HIS 44 Cb -0.18 -3.01 0.65 0.00 -1.18 0.00 0.00 32.58 28.86 1pm6 s HIS 44 CO 0.57 -0.38 1.73 0.93 -0.65 0.00 0.00 174.74 176.95 1pm6 h GLU 45 N 2.31 0.52 -2.11 2.88 4.39 -1.92 -1.80 114.58 118.85 1pm6 h GLU 45 Ca -0.48 -0.03 -0.76 0.00 0.34 0.00 0.00 59.36 58.43 1pm6 h GLU 45 Cb 1.20 -0.12 -0.30 0.00 -0.10 0.00 0.00 28.75 29.44 1pm6 h GLU 45 CO 0.62 0.34 0.73 0.45 -1.16 0.00 0.00 179.01 180.00 1pm6 n SER 46 N -4.94 6.91 -4.77 1.42 2.88 -1.26 -5.04 113.62 108.83 1pm6 n SER 46 Ca 0.20 -3.75 -0.39 0.00 -1.33 0.00 0.00 58.87 53.60 1pm6 n SER 46 Cb 0.55 -1.01 -0.06 0.00 -0.75 0.00 0.00 64.21 62.94 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pm6 s ALA 47 N -4.09 3.49 0.16 -1.46 0.00 -0.68 -4.62 121.76 114.56 1pm6 s ALA 47 Ca 0.45 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1pm6 s ALA 47 Cb 0.30 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1pm6 s ALA 47 CO -0.24 0.22 0.02 0.14 0.00 0.00 0.00 175.76 175.90 1pm6 s VAL 48 N -0.52 0.47 -0.32 0.00 -7.23 -0.62 -4.98 120.40 107.20 1pm6 s VAL 48 Ca 0.32 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 1pm6 s VAL 48 Cb -0.20 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.68 1pm6 s VAL 48 CO 0.20 -0.49 1.00 -0.54 -0.31 0.00 0.00 175.10 174.96 1pm6 s LYS 49 N -3.96 4.02 -0.46 4.82 3.01 -1.26 -0.93 119.74 124.98 1pm6 s LYS 49 Ca 0.23 0.91 -0.23 0.00 -1.01 0.00 0.00 55.97 55.88 1pm6 s LYS 49 Cb 0.07 -3.74 0.03 0.00 -1.01 0.00 0.00 37.83 33.17 1pm6 s LYS 49 CO 0.03 -0.86 0.81 0.54 0.51 0.00 0.00 175.35 176.38 1pm6 s VAL 50 N 3.49 4.62 0.46 3.17 0.11 -0.79 -4.93 120.40 126.53 1pm6 s VAL 50 Ca 0.42 0.46 -0.05 0.00 -2.93 0.00 0.00 61.98 59.88 1pm6 s VAL 50 Cb -0.13 -4.35 -0.04 0.00 -1.53 0.00 0.00 36.38 30.34 1pm6 s VAL 50 CO 0.15 -0.75 0.76 -1.81 -3.33 0.00 0.00 175.10 170.12 1pm6 s ASP 51 N 2.18 6.28 0.33 3.54 1.01 -1.26 -4.66 116.67 124.09 1pm6 s ASP 51 Ca 0.31 0.89 -0.28 0.00 0.71 0.00 0.00 52.55 54.17 1pm6 s ASP 51 Cb -0.12 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.48 1pm6 s ASP 51 CO 0.23 -0.54 1.26 -1.48 0.21 0.00 0.00 175.17 174.86 1pm6 s LEU 52 N -4.64 4.41 -0.52 1.23 2.34 -1.26 -4.98 118.68 115.26 1pm6 s LEU 52 Ca 0.47 2.60 -0.28 0.00 0.06 0.00 0.00 54.13 56.97 1pm6 s LEU 52 Cb -0.10 -3.69 0.02 0.00 -0.56 0.00 0.00 46.19 41.85 1pm6 s LEU 52 CO 0.43 -0.51 1.32 0.54 -1.06 0.00 0.00 176.35 177.07 1pm6 s ASN 53 N -0.61 6.33 -0.37 1.48 4.22 -1.26 -4.98 114.94 119.74 1pm6 s ASN 53 Ca 0.49 0.39 0.00 0.00 -2.14 0.00 0.00 52.86 51.60 1pm6 s ASN 53 Cb -0.38 -2.55 0.13 0.00 1.28 0.00 0.00 41.25 39.74 1pm6 s ASN 53 CO 0.50 -1.52 0.21 -0.13 -2.04 0.00 0.00 177.10 174.11 1pm6 s ARG 54 N 5.09 0.74 0.44 3.55 1.81 -1.26 -5.15 118.95 124.17 1pm6 s ARG 54 Ca 0.51 -1.46 -0.21 0.00 -1.72 0.00 0.00 55.73 52.85 1pm6 s ARG 54 Cb -0.10 -1.61 -0.10 0.00 -0.45 0.00 0.00 34.95 32.69 1pm6 s ARG 54 CO 0.28 -1.18 1.00 -1.25 -0.68 0.00 0.00 175.30 173.47 1pm6 s PRO 55 N 0.95 4.06 -0.13 3.54 0.04 -1.26 -5.04 135.00 137.17 1pm6 s PRO 55 Ca 0.17 1.29 -0.27 0.00 0.04 0.00 0.00 61.00 62.23 1pm6 s PRO 55 Cb -0.23 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1pm6 s PRO 55 CO -0.02 -0.20 0.90 0.14 0.04 0.00 0.00 177.00 177.86 1pm6 s VAL 56 N -1.99 4.85 -1.23 -0.36 -7.23 -1.26 -5.00 120.40 108.18 1pm6 s VAL 56 Ca 0.63 1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 62.48 1pm6 s VAL 56 Cb -0.14 -4.21 0.16 0.00 0.56 0.00 0.00 36.38 32.75 1pm6 s VAL 56 CO 0.18 0.04 1.56 0.35 -0.31 0.00 0.00 175.10 176.93 1pm6 n THR 57 N 4.54 4.25 -3.05 5.32 -2.24 -1.26 -5.01 114.28 116.83 1pm6 n THR 57 Ca 0.06 -4.61 -0.41 0.00 -2.27 0.00 0.00 64.05 56.82 1pm6 n THR 57 Cb 0.49 -2.44 -0.06 0.00 -2.10 0.00 0.00 70.33 66.22 1pm6 n THR 57 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pm6 s GLY 58 N 2.45 1.77 -0.11 3.38 0.00 -1.26 -5.05 107.32 108.50 1pm6 s GLY 58 Ca 0.43 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.39 1pm6 s GLY 58 CO 0.01 1.56 1.24 -0.45 0.00 0.00 0.00 173.10 175.46 1pm6 s SER 59 N 1.54 6.99 -0.15 1.64 0.15 -1.26 -5.01 113.70 117.59 1pm6 s SER 59 Ca 0.28 1.76 -0.29 0.00 0.70 0.00 0.00 55.95 58.40 1pm6 s SER 59 Cb -0.15 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1pm6 s SER 59 CO 0.10 -0.68 1.25 -0.76 1.20 0.00 0.00 173.24 174.35 1pm6 s LEU 60 N 2.91 4.19 0.03 3.45 1.02 -1.26 -5.02 118.68 123.99 1pm6 s LEU 60 Ca 0.56 1.70 -0.30 0.00 0.02 0.00 0.00 54.13 56.10 1pm6 s LEU 60 Cb -0.23 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.39 1pm6 s LEU 60 CO 0.18 -0.74 1.14 -0.76 0.02 0.00 0.00 176.35 176.19 1pm6 s LEU 61 N 3.35 4.36 -0.13 1.79 1.02 -1.26 -5.05 118.68 122.75 1pm6 s LEU 61 Ca 0.55 1.88 0.02 0.00 0.02 0.00 0.00 54.13 56.61 1pm6 s LEU 61 Cb -0.22 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.42 1pm6 s LEU 61 CO 0.15 -0.43 -0.21 -0.75 0.02 0.00 0.00 176.35 175.14 1pm6 s LYS 62 N 1.22 3.09 -0.02 1.70 2.47 -1.26 -5.12 119.74 121.82 1pm6 s LYS 62 Ca 0.56 -0.83 -0.29 0.00 -1.56 0.00 0.00 55.97 53.85 1pm6 s LYS 62 Cb -0.26 -2.43 -0.03 0.00 -1.46 0.00 0.00 37.83 33.64 1pm6 s LYS 62 CO 0.28 0.08 0.94 -0.98 0.16 0.00 0.00 175.35 175.82 1pm6 s ARG 63 N 0.61 4.53 -0.03 4.03 1.70 -1.26 -5.08 118.95 123.46 1pm6 s ARG 63 Ca -0.11 1.33 0.01 0.00 -0.47 0.00 0.00 55.73 56.49 1pm6 s ARG 63 Cb -0.16 -3.46 -0.03 0.00 -0.57 0.00 0.00 34.95 30.72 1pm6 s ARG 63 CO 0.03 -0.05 -0.02 -1.50 -1.08 0.00 0.00 175.30 172.68 1pm6 s ILE 64 N 1.03 4.02 -0.08 4.99 1.10 -1.26 -5.13 121.20 125.87 1pm6 s ILE 64 Ca 0.50 -0.54 0.01 0.00 -0.51 0.00 0.00 60.65 60.10 1pm6 s ILE 64 Cb -0.20 -2.74 0.02 0.00 0.15 0.00 0.00 42.46 39.68 1pm6 s ILE 64 CO 0.26 0.46 -0.08 0.00 -2.11 0.00 0.00 174.94 173.47 1pm6 s ARG 65 N -1.27 1.37 0.13 3.50 1.70 -1.26 -5.15 118.95 117.96 1pm6 s ARG 65 Ca 0.17 -0.26 -0.16 0.00 -0.47 0.00 0.00 55.73 55.01 1pm6 s ARG 65 Cb -0.11 -1.30 -0.07 0.00 -0.57 0.00 0.00 34.95 32.90 1pm6 s ARG 65 CO 0.07 -0.11 0.56 0.54 -1.08 0.00 0.00 175.30 175.27 1pm6 s ASN 66 N 1.13 6.89 0.00 -2.89 2.20 -1.26 -5.06 114.94 115.95 1pm6 s ASN 66 Ca -0.06 1.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.99 1pm6 s ASN 66 Cb -0.14 -2.31 0.00 0.00 -2.00 0.00 0.00 41.25 36.80 1pm6 s ASN 66 CO -0.01 0.15 0.00 0.61 -2.94 0.00 0.00 177.10 174.90 1pm6 n GLY 67 N 1.03 0.28 2.57 0.45 0.00 -1.26 -5.13 105.19 103.14 1pm6 n GLY 67 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1pm6 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pm6 n LYS 68 N -0.28 -2.88 -2.79 1.61 3.00 -1.26 -5.01 118.16 110.56 1pm6 n LYS 68 Ca 0.00 2.39 -0.42 0.00 -0.00 0.00 0.00 58.31 60.29 1pm6 n LYS 68 Cb 0.00 -4.87 -0.03 0.00 0.00 0.00 0.00 35.03 30.13 1pm6 n LYS 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1pm6 s LYS 69 N -1.59 4.43 -0.00 1.64 0.00 -1.26 -5.08 119.74 117.88 1pm6 s LYS 69 Ca 0.04 1.25 0.05 0.00 0.00 0.00 0.00 55.97 57.30 1pm6 s LYS 69 Cb -0.01 -3.52 -0.01 0.00 0.00 0.00 0.00 37.83 34.29 1pm6 s LYS 69 CO 0.68 -0.20 -0.15 0.00 0.00 0.00 0.00 175.35 175.68 1pm6 s ALA 70 N 1.62 1.25 0.11 0.59 0.00 -1.26 -5.08 121.76 118.98 1pm6 s ALA 70 Ca 0.46 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 1pm6 s ALA 70 Cb -0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 1pm6 s ALA 70 CO 0.19 0.30 1.72 -0.22 0.00 0.00 0.00 175.76 177.75 1pm6 h LYS 71 N 5.65 0.26 -0.02 0.00 3.64 -2.08 -3.58 116.57 120.44 1pm6 h LYS 71 Ca -0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1pm6 h LYS 71 Cb 1.16 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1pm6 h LYS 71 CO 0.48 0.24 0.00 -1.13 -2.27 0.00 0.00 179.45 176.77