#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 s TYR 2 N 0.00 0.15 0.15 2.03 2.02 -1.26 -1.93 117.35 118.51 1pm6 s TYR 2 Ca 0.00 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1pm6 s TYR 2 Cb 0.00 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1pm6 s TYR 2 CO 0.00 -0.02 -0.05 -0.48 -1.57 0.00 0.00 175.55 173.44 1pm6 s LEU 3 N -0.17 2.35 0.68 -1.29 2.34 0.23 -4.91 118.68 117.91 1pm6 s LEU 3 Ca -0.01 -1.09 -0.15 0.00 0.06 0.00 0.00 54.13 52.94 1pm6 s LEU 3 Cb -0.01 -0.16 0.01 0.00 -0.56 0.00 0.00 46.19 45.46 1pm6 s LEU 3 CO -0.00 -0.47 1.15 -0.89 -1.06 0.00 0.00 176.35 175.08 1pm6 s THR 4 N -3.53 2.88 0.24 5.48 2.01 -1.26 -0.68 115.64 120.78 1pm6 s THR 4 Ca 0.19 0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 1pm6 s THR 4 Cb 0.05 -2.97 0.26 0.00 0.01 0.00 0.00 72.50 69.85 1pm6 s THR 4 CO 0.01 -0.24 1.64 0.25 -0.69 0.00 0.00 174.62 175.60 1pm6 h LEU 5 N -0.01 -0.28 -0.19 4.42 6.46 -1.95 0.11 115.31 123.86 1pm6 h LEU 5 Ca -0.47 0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1pm6 h LEU 5 Cb 1.27 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 41.46 1pm6 h LEU 5 CO 0.53 -0.15 -0.10 -0.61 -0.62 0.00 0.00 178.44 177.48 1pm6 h GLN 6 N 0.13 -0.08 -0.08 1.25 -0.00 -1.94 -2.26 115.11 112.13 1pm6 h GLN 6 Ca 0.41 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.99 1pm6 h GLN 6 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.20 1pm6 h GLN 6 CO -0.63 -0.05 -0.30 0.93 0.00 0.00 0.00 178.83 178.77 1pm6 h GLU 7 N -0.08 0.15 -0.46 1.69 3.07 -1.76 -1.01 114.58 116.19 1pm6 h GLU 7 Ca 0.11 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1pm6 h GLU 7 Cb 0.24 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1pm6 h GLU 7 CO -0.24 0.45 0.30 2.35 -1.40 0.00 0.00 179.01 180.46 1pm6 h TRP 8 N 0.14 0.59 -0.01 4.33 7.01 -0.73 -0.14 115.95 127.14 1pm6 h TRP 8 Ca 0.02 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1pm6 h TRP 8 Cb 0.61 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1pm6 h TRP 8 CO 0.01 0.39 0.01 -0.97 -2.79 0.00 0.00 178.44 175.08 1pm6 h ASN 9 N 0.62 0.01 0.25 2.65 -1.24 -1.25 -3.22 115.58 113.40 1pm6 h ASN 9 Ca 0.17 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1pm6 h ASN 9 Cb -0.05 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1pm6 h ASN 9 CO -0.03 0.06 -0.06 0.00 -1.29 0.00 0.00 177.43 176.10 1pm6 h ALA 10 N 0.96 1.30 0.00 1.57 0.00 -1.19 -2.77 119.26 119.12 1pm6 h ALA 10 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pm6 h ALA 10 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pm6 h ALA 10 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1pm6 h ARG 11 N 0.00 0.00 -6.91 0.00 -0.00 -1.02 -3.45 114.38 102.99 1pm6 h ARG 11 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.97 1pm6 h ARG 11 Cb 0.20 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.22 1pm6 h ARG 11 CO 0.01 0.00 0.51 -0.65 0.00 0.00 0.00 179.97 179.84 1pm6 s GLN 12 N -3.56 4.19 0.33 0.04 -0.21 -1.05 -4.98 119.66 114.43 1pm6 s GLN 12 Ca 0.02 1.87 0.18 0.00 0.02 0.00 0.00 55.36 57.45 1pm6 s GLN 12 Cb 0.09 -2.80 1.19 0.00 1.00 0.00 0.00 33.01 32.49 1pm6 s GLN 12 CO 0.52 -0.21 1.44 0.54 -2.12 0.00 0.00 175.29 175.46 1pm6 n ARG 13 N 0.34 -0.06 -3.66 2.91 5.12 -1.26 -4.07 116.66 115.98 1pm6 n ARG 13 Ca 0.03 1.27 -0.28 0.00 -1.93 0.00 0.00 57.85 56.94 1pm6 n ARG 13 Cb 0.46 -2.25 -0.16 0.00 -1.16 0.00 0.00 32.46 29.34 1pm6 n ARG 13 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1pm6 s ARG 14 N -5.42 0.42 -0.27 5.56 1.70 -1.26 -5.13 118.95 114.55 1pm6 s ARG 14 Ca -0.08 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.42 1pm6 s ARG 14 Cb 0.31 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.85 1pm6 s ARG 14 CO 0.71 -0.78 1.41 -1.25 -1.08 0.00 0.00 175.30 174.31 1pm6 s PRO 15 N 1.94 3.88 0.00 3.89 0.04 -1.26 -4.98 135.00 138.51 1pm6 s PRO 15 Ca 0.03 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1pm6 s PRO 15 Cb -0.17 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1pm6 s PRO 15 CO -0.17 -1.18 0.26 0.54 0.04 0.00 0.00 177.00 176.49 1pm6 n ARG 16 N 7.43 0.00 -3.55 4.56 1.74 -1.26 -5.04 116.66 120.54 1pm6 n ARG 16 Ca 0.16 0.14 -0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1pm6 n ARG 16 Cb 0.46 -0.84 -0.05 0.00 -1.02 0.00 0.00 32.46 31.01 1pm6 n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pm6 s SER 17 N -1.73 -0.45 0.48 0.55 1.04 -1.26 -5.00 113.70 107.33 1pm6 s SER 17 Ca 0.00 0.41 0.13 0.00 0.48 0.00 0.00 55.95 56.97 1pm6 s SER 17 Cb 0.00 0.38 1.13 0.00 0.10 0.00 0.00 66.02 67.63 1pm6 s SER 17 CO 0.00 -0.47 2.11 -0.07 0.98 0.00 0.00 173.24 175.79 1pm6 h LEU 18 N 2.57 0.17 -0.59 2.42 4.07 -1.96 -1.95 115.31 120.03 1pm6 h LEU 18 Ca -0.22 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.75 1pm6 h LEU 18 Cb 1.17 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1pm6 h LEU 18 CO 0.33 0.12 0.39 -0.33 -1.08 0.00 0.00 178.44 177.87 1pm6 h GLU 19 N 0.20 0.78 -0.07 1.13 5.08 -1.98 0.47 114.58 120.19 1pm6 h GLU 19 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1pm6 h GLU 19 Cb 0.03 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1pm6 h GLU 19 CO -0.01 0.52 0.04 1.15 -1.00 0.00 0.00 179.01 179.71 1pm6 h THR 20 N 0.80 1.01 -0.80 1.13 2.02 -1.87 -1.25 112.91 113.96 1pm6 h THR 20 Ca 0.22 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1pm6 h THR 20 Cb -0.09 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1pm6 h THR 20 CO -0.05 0.02 0.43 0.58 0.37 0.00 0.00 175.52 176.87 1pm6 h VAL 21 N 0.09 1.24 -0.64 3.16 2.07 -1.38 -0.98 116.25 119.80 1pm6 h VAL 21 Ca 0.03 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1pm6 h VAL 21 Cb -0.01 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1pm6 h VAL 21 CO -0.01 0.27 0.35 -0.09 0.02 0.00 0.00 177.57 178.11 1pm6 h ARG 22 N 1.11 0.63 -0.90 1.57 9.65 -0.88 -0.77 114.38 124.79 1pm6 h ARG 22 Ca 0.28 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.16 1pm6 h ARG 22 Cb 0.05 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.43 1pm6 h ARG 22 CO -0.04 0.42 0.58 0.00 2.80 0.00 0.00 179.97 183.73 1pm6 h ARG 23 N 0.65 1.10 -0.70 0.20 3.08 -1.03 -0.10 114.38 117.58 1pm6 h ARG 23 Ca 0.28 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1pm6 h ARG 23 Cb 0.18 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1pm6 h ARG 23 CO -0.18 0.73 0.46 -1.49 -1.07 0.00 0.00 179.97 178.42 1pm6 h TRP 24 N 1.13 0.87 0.02 3.04 6.55 -0.90 -1.26 115.95 125.41 1pm6 h TRP 24 Ca 0.36 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.22 1pm6 h TRP 24 Cb 0.00 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.01 1pm6 h TRP 24 CO -0.01 0.54 -0.01 0.28 -1.05 0.00 0.00 178.44 178.18 1pm6 h VAL 25 N 0.93 1.11 -0.93 1.49 2.07 -1.07 0.19 116.25 120.05 1pm6 h VAL 25 Ca 0.26 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1pm6 h VAL 25 Cb -0.09 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1pm6 h VAL 25 CO -0.06 0.11 0.59 0.03 0.02 0.00 0.00 177.57 178.26 1pm6 h ARG 26 N -0.21 0.84 -0.32 1.57 2.47 -0.99 -1.81 114.38 115.92 1pm6 h ARG 26 Ca -0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1pm6 h ARG 26 Cb 0.20 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1pm6 h ARG 26 CO 0.01 0.55 0.00 0.39 0.56 0.00 0.00 179.97 181.48 1pm6 n GLU 27 N -4.57 1.59 -3.94 0.04 1.02 -0.48 -4.98 120.64 109.33 1pm6 n GLU 27 Ca 0.17 -0.79 -0.28 0.00 -0.02 0.00 0.00 57.16 56.25 1pm6 n GLU 27 Cb 0.37 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pm6 n SER 28 N 0.13 -2.38 -2.39 1.62 7.64 -0.68 -4.96 113.62 112.61 1pm6 n SER 28 Ca 0.07 -0.90 -0.32 0.00 1.01 0.00 0.00 58.87 58.73 1pm6 n SER 28 Cb 0.23 -3.47 0.05 0.00 -1.01 0.00 0.00 64.21 60.01 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 -4.45 3.05 -3.89 1.43 1.74 0.65 -4.91 116.66 110.28 1pm6 n ARG 29 Ca -0.13 -3.74 -0.21 0.00 -0.77 0.00 0.00 57.85 53.00 1pm6 n ARG 29 Cb 0.60 -2.28 -0.17 0.00 -1.02 0.00 0.00 32.46 29.59 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 -4.92 0.37 -0.01 0.55 -1.09 -1.26 -1.75 121.20 113.09 1pm6 s ILE 30 Ca 0.56 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1pm6 s ILE 30 Cb 0.45 -0.48 0.01 0.00 -1.58 0.00 0.00 42.46 40.86 1pm6 s ILE 30 CO -0.10 0.23 -0.00 -0.36 -1.23 0.00 0.00 174.94 173.47 1pm6 s PHE 31 N 1.54 0.16 0.64 3.97 0.40 -0.22 -4.07 117.98 120.40 1pm6 s PHE 31 Ca -0.02 0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1pm6 s PHE 31 Cb -0.13 -0.20 -0.01 0.00 0.51 0.00 0.00 43.02 43.19 1pm6 s PHE 31 CO -0.03 -0.05 1.10 -1.25 0.70 0.00 0.00 175.22 175.69 1pm6 s PRO 32 N 0.46 2.93 0.48 0.24 0.04 -1.26 -1.77 135.00 136.11 1pm6 s PRO 32 Ca -0.04 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 1pm6 s PRO 32 Cb -0.06 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1pm6 s PRO 32 CO -0.01 -1.14 1.24 -1.25 0.04 0.00 0.00 177.00 175.88 1pm6 s PRO 33 N -4.02 3.61 0.48 0.56 0.04 -1.26 -4.82 135.00 129.59 1pm6 s PRO 33 Ca 0.67 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 63.45 1pm6 s PRO 33 Cb -0.20 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 1pm6 s PRO 33 CO 0.39 -0.73 1.14 -1.25 0.04 0.00 0.00 177.00 176.60 1pm6 s PRO 34 N -2.68 3.69 -0.44 0.56 0.04 -1.26 -4.89 135.00 130.02 1pm6 s PRO 34 Ca 0.65 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 1pm6 s PRO 34 Cb -0.33 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 31.94 1pm6 s PRO 34 CO 0.41 -0.59 1.12 0.08 0.04 0.00 0.00 177.00 178.06 1pm6 s VAL 35 N -1.64 4.27 -0.36 -0.36 1.01 -0.20 -4.76 120.40 118.37 1pm6 s VAL 35 Ca 0.66 1.34 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 1pm6 s VAL 35 Cb -0.26 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.56 1pm6 s VAL 35 CO 0.31 -0.89 1.37 -0.75 0.00 0.00 0.00 175.10 175.14 1pm6 s LYS 36 N 4.27 3.72 -0.42 2.72 2.47 -1.26 -0.98 119.74 130.26 1pm6 s LYS 36 Ca 0.47 1.08 0.04 0.00 -1.56 0.00 0.00 55.97 56.00 1pm6 s LYS 36 Cb -0.08 -3.96 0.11 0.00 -1.46 0.00 0.00 37.83 32.44 1pm6 s LYS 36 CO 0.28 -1.37 0.15 0.34 0.16 0.00 0.00 175.35 174.91 1pm6 s ASP 37 N 3.45 4.48 0.00 1.43 2.15 -0.39 -4.96 116.67 122.83 1pm6 s ASP 37 Ca 0.59 -2.53 0.00 0.00 0.43 0.00 0.00 52.55 51.04 1pm6 s ASP 37 Cb -0.15 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 1pm6 s ASP 37 CO 0.29 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1pm6 n GLY 38 N 3.75 1.69 2.73 2.66 0.00 -1.26 -2.79 105.19 111.96 1pm6 n GLY 38 Ca 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.60 -3.74 1.61 0.00 -1.26 -5.10 116.66 109.78 1pm6 n ARG 39 Ca 0.00 -3.46 -0.13 0.00 -0.00 0.00 0.00 57.85 54.26 1pm6 n ARG 39 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 30.82 1pm6 n ARG 39 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1pm6 s GLU 40 N -3.51 0.14 -0.35 -0.14 2.12 -1.12 -5.13 118.70 110.70 1pm6 s GLU 40 Ca 0.28 0.44 -0.28 0.00 0.36 0.00 0.00 54.97 55.77 1pm6 s GLU 40 Cb 0.38 -0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.63 1pm6 s GLU 40 CO -0.01 -0.17 1.05 0.71 -0.54 0.00 0.00 175.26 176.30 1pm6 s TYR 41 N 1.24 3.09 -0.67 5.30 2.02 -1.26 -1.26 117.35 125.81 1pm6 s TYR 41 Ca -0.09 1.04 -0.22 0.00 -0.37 0.00 0.00 57.07 57.43 1pm6 s TYR 41 Cb -0.11 -3.78 0.08 0.00 -0.40 0.00 0.00 41.96 37.75 1pm6 s TYR 41 CO -0.07 -0.84 0.96 -0.51 -1.57 0.00 0.00 175.55 173.52 1pm6 s LEU 42 N 3.72 4.49 0.03 -1.29 1.43 -0.15 -3.44 118.68 123.46 1pm6 s LEU 42 Ca 0.44 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 1pm6 s LEU 42 Cb -0.11 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1pm6 s LEU 42 CO 0.18 -1.40 1.19 -0.36 0.23 0.00 0.00 176.35 176.19 1pm6 s PHE 43 N 3.90 3.39 0.24 0.29 0.40 0.14 -1.03 117.98 125.30 1pm6 s PHE 43 Ca 0.22 1.30 -0.30 0.00 -0.60 0.00 0.00 56.93 57.55 1pm6 s PHE 43 Cb -0.17 -3.41 -0.10 0.00 0.51 0.00 0.00 43.02 39.86 1pm6 s PHE 43 CO 0.09 -1.23 1.45 -1.58 0.70 0.00 0.00 175.22 174.64 1pm6 s HIS 44 N 1.33 3.04 -1.22 0.36 5.65 -1.26 -0.60 115.29 122.59 1pm6 s HIS 44 Ca 0.58 1.00 -0.18 0.00 0.25 0.00 0.00 55.06 56.71 1pm6 s HIS 44 Cb -0.28 -3.82 -0.02 0.00 -1.18 0.00 0.00 32.58 27.28 1pm6 s HIS 44 CO 0.28 -2.70 2.03 -1.91 -0.65 0.00 0.00 174.74 171.79 1pm6 n GLU 45 N 2.54 2.44 0.00 2.88 2.13 -0.81 -1.32 120.64 128.50 1pm6 n GLU 45 Ca 0.08 -2.52 0.00 0.00 0.66 0.00 0.00 57.16 55.38 1pm6 n GLU 45 Cb 0.40 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 28.84 1pm6 n GLU 45 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1pm6 n SER 46 N 7.69 0.00 -4.77 4.31 2.88 -1.26 -4.86 113.62 117.61 1pm6 n SER 46 Ca 0.50 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.63 1pm6 n SER 46 Cb 0.41 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.00 3.61 0.17 -1.46 0.00 -0.43 -4.92 121.76 118.73 1pm6 s ALA 47 Ca 0.00 1.53 0.10 0.00 0.00 0.00 0.00 51.96 53.58 1pm6 s ALA 47 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1pm6 s ALA 47 CO 0.00 -0.98 -0.21 0.14 0.00 0.00 0.00 175.76 174.72 1pm6 s VAL 48 N -0.77 2.01 -0.69 0.00 -7.23 -0.73 -4.94 120.40 108.06 1pm6 s VAL 48 Ca 0.55 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.51 1pm6 s VAL 48 Cb -0.46 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.58 1pm6 s VAL 48 CO 0.57 -0.23 1.24 -1.59 -0.31 0.00 0.00 175.10 174.78 1pm6 s LYS 49 N -2.70 3.29 -0.31 4.82 0.00 -1.26 -1.06 119.74 122.52 1pm6 s LYS 49 Ca 0.17 -0.10 -0.27 0.00 0.00 0.00 0.00 55.97 55.77 1pm6 s LYS 49 Cb -0.07 -4.13 0.01 0.00 0.00 0.00 0.00 37.83 33.65 1pm6 s LYS 49 CO 0.08 -1.99 0.97 0.54 0.00 0.00 0.00 175.35 174.95 1pm6 s VAL 50 N 5.42 4.62 -0.01 1.79 0.11 -0.72 -4.92 120.40 126.69 1pm6 s VAL 50 Ca 0.37 1.53 0.01 0.00 -2.93 0.00 0.00 61.98 60.96 1pm6 s VAL 50 Cb -0.08 -4.32 0.01 0.00 -1.53 0.00 0.00 36.38 30.46 1pm6 s VAL 50 CO 0.18 -0.39 -0.02 1.51 -3.33 0.00 0.00 175.10 173.05 1pm6 s ASP 51 N 1.63 0.35 -0.80 3.54 -4.77 -1.26 -4.44 116.67 110.92 1pm6 s ASP 51 Ca 0.40 -0.04 -0.24 0.00 -3.30 0.00 0.00 52.55 49.37 1pm6 s ASP 51 Cb -0.13 -0.09 0.05 0.00 -1.09 0.00 0.00 42.92 41.67 1pm6 s ASP 51 CO 0.14 -0.01 1.22 -0.22 0.70 0.00 0.00 175.17 177.01 1pm6 s LEU 52 N 0.26 3.73 -0.21 2.11 0.20 -1.26 -4.95 118.68 118.56 1pm6 s LEU 52 Ca -0.02 -0.97 -0.07 0.00 0.69 0.00 0.00 54.13 53.76 1pm6 s LEU 52 Cb -0.05 -2.51 0.10 0.00 -0.43 0.00 0.00 46.19 43.30 1pm6 s LEU 52 CO -0.01 -1.59 0.42 0.20 -0.29 0.00 0.00 176.35 175.09 1pm6 s ASN 53 N 3.99 -0.26 -0.16 3.68 -0.87 -1.26 -5.16 114.94 114.91 1pm6 s ASN 53 Ca 0.34 0.95 0.01 0.00 -1.57 0.00 0.00 52.86 52.59 1pm6 s ASN 53 Cb -0.08 1.37 0.02 0.00 -0.02 0.00 0.00 41.25 42.54 1pm6 s ASN 53 CO 0.06 -0.24 -0.17 -0.60 -2.57 0.00 0.00 177.10 173.58 1pm6 s ARG 54 N 2.62 2.56 -0.23 -0.60 3.00 -1.26 -5.12 118.95 119.92 1pm6 s ARG 54 Ca -0.01 -0.66 -0.29 0.00 -1.00 0.00 0.00 55.73 53.77 1pm6 s ARG 54 Cb -0.12 -2.27 -0.01 0.00 0.00 0.00 0.00 34.95 32.55 1pm6 s ARG 54 CO -0.13 -0.21 1.36 -1.25 0.00 0.00 0.00 175.30 175.07 1pm6 s PRO 55 N 1.36 4.01 -0.15 5.12 0.04 -1.26 -5.01 135.00 139.11 1pm6 s PRO 55 Ca 0.04 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 62.49 1pm6 s PRO 55 Cb -0.13 -3.87 0.05 0.00 0.04 0.00 0.00 34.50 30.59 1pm6 s PRO 55 CO -0.11 -1.00 0.37 0.54 0.04 0.00 0.00 177.00 176.84 1pm6 s VAL 56 N 4.22 -0.03 0.25 -0.36 0.11 -1.26 -5.18 120.40 118.15 1pm6 s VAL 56 Ca 0.59 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.81 1pm6 s VAL 56 Cb -0.20 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1pm6 s VAL 56 CO 0.22 0.04 0.17 0.28 -3.33 0.00 0.00 175.10 172.48 1pm6 s THR 57 N 1.23 4.34 0.40 5.04 -1.32 -1.26 -5.14 115.64 118.94 1pm6 s THR 57 Ca -0.08 -1.44 -0.21 0.00 -1.21 0.00 0.00 61.69 58.75 1pm6 s THR 57 Cb -0.08 -3.34 -0.11 0.00 -1.51 0.00 0.00 72.50 67.46 1pm6 s THR 57 CO -0.10 -0.34 0.92 -0.83 -2.21 0.00 0.00 174.62 172.06 1pm6 s GLY 58 N -3.79 2.43 -0.17 6.08 0.00 -1.26 -5.09 107.32 105.52 1pm6 s GLY 58 Ca 0.33 0.37 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 1pm6 s GLY 58 CO 0.24 0.66 -0.09 -0.56 0.00 0.00 0.00 173.10 173.36 1pm6 s SER 59 N -2.12 4.14 -0.14 1.64 0.01 -1.26 -5.12 113.70 110.85 1pm6 s SER 59 Ca 0.60 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 1pm6 s SER 59 Cb -0.10 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 1pm6 s SER 59 CO 0.15 0.07 -0.10 -0.22 0.41 0.00 0.00 173.24 173.55 1pm6 s LEU 60 N 0.90 2.88 -0.19 2.44 2.96 -1.26 -5.12 118.68 121.29 1pm6 s LEU 60 Ca -0.02 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1pm6 s LEU 60 Cb -0.15 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 1pm6 s LEU 60 CO 0.00 0.16 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.88 1pm6 s LEU 61 N 0.38 2.69 -0.06 -0.68 2.96 -1.26 -5.11 118.68 117.60 1pm6 s LEU 61 Ca -0.08 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1pm6 s LEU 61 Cb -0.15 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1pm6 s LEU 61 CO 0.05 0.02 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.31 1pm6 s LYS 62 N 1.19 0.91 -0.04 1.98 2.20 -1.26 -5.15 119.74 119.58 1pm6 s LYS 62 Ca 0.02 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1pm6 s LYS 62 Cb -0.14 -0.97 0.02 0.00 -1.51 0.00 0.00 37.83 35.23 1pm6 s LYS 62 CO -0.03 -0.13 -0.03 0.50 -0.36 0.00 0.00 175.35 175.29 1pm6 s ARG 63 N 1.16 0.70 -0.09 4.03 3.52 -1.26 -5.16 118.95 121.85 1pm6 s ARG 63 Ca -0.07 -0.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 1pm6 s ARG 63 Cb -0.14 -0.74 -0.01 0.00 -1.56 0.00 0.00 34.95 32.50 1pm6 s ARG 63 CO -0.01 -0.09 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.71 1pm6 s ILE 64 N 0.91 2.69 -0.09 4.11 2.07 -1.26 -5.14 121.20 124.49 1pm6 s ILE 64 Ca -0.11 -0.82 -0.08 0.00 -1.41 0.00 0.00 60.65 58.23 1pm6 s ILE 64 Cb -0.14 -2.07 0.03 0.00 0.13 0.00 0.00 42.46 40.41 1pm6 s ILE 64 CO -0.00 0.56 0.25 -0.60 -1.91 0.00 0.00 174.94 173.23 1pm6 s ARG 65 N -0.02 0.27 0.36 3.50 3.52 -1.26 -5.18 118.95 120.13 1pm6 s ARG 65 Ca -0.05 0.37 0.08 0.00 -0.13 0.00 0.00 55.73 56.01 1pm6 s ARG 65 Cb -0.14 0.10 -0.07 0.00 -1.56 0.00 0.00 34.95 33.28 1pm6 s ARG 65 CO 0.04 -0.05 -0.06 0.54 -0.81 0.00 0.00 175.30 174.96 1pm6 s ASN 66 N 0.31 3.68 0.30 -2.12 2.20 -1.26 -5.18 114.94 112.86 1pm6 s ASN 66 Ca -0.01 -1.25 0.01 0.00 -0.94 0.00 0.00 52.86 50.66 1pm6 s ASN 66 Cb -0.03 -0.35 -0.02 0.00 -2.00 0.00 0.00 41.25 38.85 1pm6 s ASN 66 CO -0.01 -0.29 0.32 -0.83 -2.94 0.00 0.00 177.10 173.35 1pm6 s GLY 67 N -3.62 1.71 -0.03 0.45 0.00 -1.26 -5.18 107.32 99.39 1pm6 s GLY 67 Ca 0.33 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1pm6 s GLY 67 CO 0.17 -1.23 -0.01 1.25 0.00 0.00 0.00 173.10 173.27 1pm6 s LYS 68 N -3.53 0.39 -0.18 2.90 2.36 -1.26 -5.14 119.74 115.28 1pm6 s LYS 68 Ca 0.36 0.03 -0.26 0.00 -2.55 0.00 0.00 55.97 53.55 1pm6 s LYS 68 Cb 0.02 -0.53 -0.01 0.00 -1.05 0.00 0.00 37.83 36.26 1pm6 s LYS 68 CO 0.20 -0.11 0.87 -1.59 1.55 0.00 0.00 175.35 176.27 1pm6 s LYS 69 N 0.93 4.29 -0.32 4.03 -2.85 -1.26 -5.05 119.74 119.51 1pm6 s LYS 69 Ca -0.10 1.07 -0.05 0.00 -1.00 0.00 0.00 55.97 55.89 1pm6 s LYS 69 Cb -0.13 -3.58 0.04 0.00 -2.06 0.00 0.00 37.83 32.09 1pm6 s LYS 69 CO -0.01 -0.37 0.07 0.00 0.10 0.00 0.00 175.35 175.14 1pm6 s ALA 70 N 2.29 2.98 -0.01 0.59 0.00 -1.26 -5.03 121.76 121.32 1pm6 s ALA 70 Ca 0.39 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 1pm6 s ALA 70 Cb -0.16 -2.16 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 1pm6 s ALA 70 CO 0.12 -1.25 0.83 -0.22 0.00 0.00 0.00 175.76 175.24 1pm6 h LYS 71 N 8.17 -0.65 0.00 0.00 3.64 -2.10 -3.58 116.57 122.04 1pm6 h LYS 71 Ca -0.24 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pm6 h LYS 71 Cb 1.08 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1pm6 h LYS 71 CO 0.59 -0.43 0.00 0.43 -2.27 0.00 0.00 179.45 177.76