#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 -1.03 -4.05 1.12 4.01 -1.26 -5.02 117.16 110.94 1pm6 n TYR 2 Ca 0.00 0.57 -0.23 0.00 -0.16 0.00 0.00 57.90 58.09 1pm6 n TYR 2 Cb 0.00 -2.07 -0.04 0.00 -0.31 0.00 0.00 39.34 36.92 1pm6 n TYR 2 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pm6 s LEU 3 N -0.19 4.03 0.70 7.72 2.34 0.15 -4.82 118.68 128.60 1pm6 s LEU 3 Ca -0.06 -0.08 -0.16 0.00 0.06 0.00 0.00 54.13 53.90 1pm6 s LEU 3 Cb 0.00 -2.58 0.02 0.00 -0.56 0.00 0.00 46.19 43.08 1pm6 s LEU 3 CO 0.18 -0.02 1.19 -0.89 -1.06 0.00 0.00 176.35 175.76 1pm6 s THR 4 N -1.97 2.49 0.19 5.48 2.01 -1.26 -1.00 115.64 121.57 1pm6 s THR 4 Ca 0.33 0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.43 1pm6 s THR 4 Cb -0.09 -2.84 0.15 0.00 0.01 0.00 0.00 72.50 69.72 1pm6 s THR 4 CO 0.26 -0.12 1.66 0.25 -0.69 0.00 0.00 174.62 175.98 1pm6 h LEU 5 N -0.08 -0.36 -0.63 4.42 6.46 -1.85 0.23 115.31 123.49 1pm6 h LEU 5 Ca -0.48 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1pm6 h LEU 5 Cb 1.29 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 41.46 1pm6 h LEU 5 CO 0.51 -0.13 0.42 1.56 -0.62 0.00 0.00 178.44 180.17 1pm6 h GLN 6 N 0.04 0.82 -0.65 1.25 4.20 -1.94 -2.14 115.11 116.69 1pm6 h GLN 6 Ca 0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1pm6 h GLN 6 Cb 0.38 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1pm6 h GLN 6 CO -0.48 0.54 0.30 1.49 -0.67 0.00 0.00 178.83 180.01 1pm6 h GLU 7 N 0.84 0.93 0.02 1.46 4.22 -1.76 -1.79 114.58 118.51 1pm6 h GLU 7 Ca 0.23 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 59.56 1pm6 h GLU 7 Cb -0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1pm6 h GLU 7 CO -0.06 0.73 -0.10 2.35 -2.18 0.00 0.00 179.01 179.75 1pm6 h TRP 8 N 0.92 -0.26 -0.34 0.92 7.01 -0.50 -0.07 115.95 123.63 1pm6 h TRP 8 Ca 0.22 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1pm6 h TRP 8 Cb 0.12 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1pm6 h TRP 8 CO 0.01 -0.16 0.14 -0.97 -2.79 0.00 0.00 178.44 174.67 1pm6 h ASN 9 N -0.19 0.18 -1.00 2.65 -1.24 -1.29 -1.66 115.58 113.04 1pm6 h ASN 9 Ca 0.03 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.11 1pm6 h ASN 9 Cb 0.22 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 1pm6 h ASN 9 CO -0.09 0.14 0.65 0.00 -1.29 0.00 0.00 177.43 176.84 1pm6 h ALA 10 N 1.20 1.36 0.00 1.57 0.00 -1.37 -3.19 119.26 118.83 1pm6 h ALA 10 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1pm6 h ALA 10 Cb 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1pm6 h ALA 10 CO -0.13 0.53 -0.27 -0.09 0.00 0.00 0.00 179.25 179.29 1pm6 h ARG 11 N 1.24 0.00 -6.71 0.00 1.12 -0.70 -3.44 114.38 105.89 1pm6 h ARG 11 Ca 0.40 0.00 -0.52 0.00 -1.11 0.00 0.00 59.98 58.75 1pm6 h ARG 11 Cb 0.04 0.00 0.04 0.00 -0.01 0.00 0.00 29.97 30.03 1pm6 h ARG 11 CO -0.13 0.27 0.65 -0.65 -3.11 0.00 0.00 179.97 176.99 1pm6 s GLN 12 N -3.93 4.39 0.26 0.20 -1.52 -0.65 -4.98 119.66 113.43 1pm6 s GLN 12 Ca -0.01 2.07 -0.01 0.00 -1.95 0.00 0.00 55.36 55.46 1pm6 s GLN 12 Cb 0.12 -3.18 0.52 0.00 -0.22 0.00 0.00 33.01 30.25 1pm6 s GLN 12 CO 0.65 -0.23 1.78 -0.09 -0.25 0.00 0.00 175.29 177.15 1pm6 h ARG 13 N 5.06 0.67 -4.58 2.91 2.43 -1.87 -3.27 114.38 115.73 1pm6 h ARG 13 Ca -0.45 -0.04 -0.71 0.00 -0.81 0.00 0.00 59.98 57.97 1pm6 h ARG 13 Cb 1.22 -0.15 -0.25 0.00 -0.42 0.00 0.00 29.97 30.37 1pm6 h ARG 13 CO 0.75 0.44 -0.51 1.03 -1.51 0.00 0.00 179.97 180.17 1pm6 s ARG 14 N -5.98 2.81 0.17 0.20 0.52 -1.26 -5.11 118.95 110.30 1pm6 s ARG 14 Ca -0.12 -1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 53.70 1pm6 s ARG 14 Cb 0.21 -3.73 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 1pm6 s ARG 14 CO 0.78 -0.71 1.08 -1.25 0.02 0.00 0.00 175.30 175.23 1pm6 s PRO 15 N 1.55 4.61 0.00 3.54 0.04 -1.24 -5.04 135.00 138.47 1pm6 s PRO 15 Ca 0.02 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1pm6 s PRO 15 Cb -0.19 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1pm6 s PRO 15 CO 0.07 0.11 0.00 2.89 0.04 0.00 0.00 177.00 180.10 1pm6 n ARG 16 N 2.36 1.76 -2.20 4.56 1.85 -1.26 -5.07 116.66 118.66 1pm6 n ARG 16 Ca 0.02 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 1pm6 n ARG 16 Cb 0.46 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.85 1pm6 n ARG 16 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1pm6 s SER 17 N -0.90 6.88 0.35 2.89 0.01 -1.26 -4.98 113.70 116.69 1pm6 s SER 17 Ca 0.00 2.51 0.02 0.00 1.31 0.00 0.00 55.95 59.79 1pm6 s SER 17 Cb 0.00 -2.63 0.63 0.00 0.21 0.00 0.00 66.02 64.23 1pm6 s SER 17 CO 0.00 -0.49 2.01 -0.07 0.41 0.00 0.00 173.24 175.10 1pm6 h LEU 18 N 4.44 0.73 -0.91 2.44 3.38 -2.00 -2.35 115.31 121.04 1pm6 h LEU 18 Ca -0.47 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.61 1pm6 h LEU 18 Cb 1.22 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1pm6 h LEU 18 CO 0.72 0.53 0.53 -0.33 0.09 0.00 0.00 178.44 179.98 1pm6 h GLU 19 N 0.86 0.80 -0.09 1.13 5.08 -1.98 -0.28 114.58 120.09 1pm6 h GLU 19 Ca 0.23 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1pm6 h GLU 19 Cb -0.09 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1pm6 h GLU 19 CO -0.05 0.53 0.05 1.15 -1.00 0.00 0.00 179.01 179.69 1pm6 h THR 20 N 0.82 1.09 -0.49 1.13 2.02 -1.83 -0.93 112.91 114.73 1pm6 h THR 20 Ca 0.46 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1pm6 h THR 20 Cb 0.52 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1pm6 h THR 20 CO -0.29 0.08 0.20 0.58 0.37 0.00 0.00 175.52 176.46 1pm6 h VAL 21 N 0.05 0.88 -0.78 3.16 2.07 -1.40 -1.25 116.25 118.98 1pm6 h VAL 21 Ca 0.03 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1pm6 h VAL 21 Cb 0.09 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1pm6 h VAL 21 CO -0.00 0.07 0.48 -0.09 0.02 0.00 0.00 177.57 178.05 1pm6 h ARG 22 N 0.40 0.87 -0.70 1.57 1.12 -1.01 -1.43 114.38 115.20 1pm6 h ARG 22 Ca 0.23 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 1pm6 h ARG 22 Cb 0.20 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 1pm6 h ARG 22 CO -0.20 0.58 0.22 -0.09 -3.11 0.00 0.00 179.97 177.36 1pm6 h ARG 23 N 0.90 1.08 -0.97 0.20 2.43 -1.01 -1.80 114.38 115.21 1pm6 h ARG 23 Ca 0.34 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1pm6 h ARG 23 Cb 0.13 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 1pm6 h ARG 23 CO -0.16 0.92 0.64 -1.49 -1.51 0.00 0.00 179.97 178.38 1pm6 h TRP 24 N 1.04 1.19 -0.20 2.20 4.06 -0.98 -0.27 115.95 122.99 1pm6 h TRP 24 Ca 0.23 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.21 1pm6 h TRP 24 Cb 0.29 -0.40 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1pm6 h TRP 24 CO 0.02 0.69 0.12 0.28 -3.56 0.00 0.00 178.44 176.00 1pm6 h VAL 25 N 1.23 1.08 -0.76 1.49 2.07 -1.21 -0.68 116.25 119.47 1pm6 h VAL 25 Ca 0.39 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1pm6 h VAL 25 Cb 0.01 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1pm6 h VAL 25 CO -0.12 0.07 0.50 0.03 0.02 0.00 0.00 177.57 178.07 1pm6 h ARG 26 N 0.25 0.91 0.00 1.57 2.47 -1.10 -1.60 114.38 116.89 1pm6 h ARG 26 Ca 0.07 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1pm6 h ARG 26 Cb 0.01 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.12 1pm6 h ARG 26 CO -0.01 0.61 0.00 0.93 0.56 0.00 0.00 179.97 182.05 1pm6 h GLU 27 N 0.94 0.00 -5.60 0.04 5.08 -1.06 -3.48 114.58 110.49 1pm6 h GLU 27 Ca 0.30 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.32 1pm6 h GLU 27 Cb 0.02 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.43 1pm6 h GLU 27 CO -0.08 0.00 -0.73 0.45 -1.00 0.00 0.00 179.01 177.65 1pm6 n SER 28 N -2.37 -3.16 0.03 1.42 2.88 -0.60 -5.01 113.62 106.81 1pm6 n SER 28 Ca 0.01 -0.58 -0.21 0.00 -1.33 0.00 0.00 58.87 56.76 1pm6 n SER 28 Cb 0.20 -4.99 -0.14 0.00 -0.75 0.00 0.00 64.21 58.52 1pm6 n SER 28 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pm6 h ARG 29 N -2.06 0.29 -6.44 -1.46 2.47 -1.39 -3.46 114.38 102.33 1pm6 h ARG 29 Ca -0.57 -0.50 -0.57 0.00 -1.26 0.00 0.00 59.98 57.08 1pm6 h ARG 29 Cb 1.34 0.19 -0.09 0.00 -1.65 0.00 0.00 29.97 29.76 1pm6 h ARG 29 CO 0.50 1.20 0.83 0.42 0.56 0.00 0.00 179.97 183.48 1pm6 s ILE 30 N -2.57 4.21 -0.05 2.04 1.01 -1.26 -0.98 121.20 123.60 1pm6 s ILE 30 Ca -0.18 0.88 0.04 0.00 0.00 0.00 0.00 60.65 61.39 1pm6 s ILE 30 Cb 0.06 -4.61 -0.00 0.00 0.01 0.00 0.00 42.46 37.92 1pm6 s ILE 30 CO 0.81 -1.11 -0.17 0.12 0.00 0.00 0.00 174.94 174.58 1pm6 s PHE 31 N 4.43 1.78 0.57 3.97 5.36 -0.33 -3.74 117.98 130.03 1pm6 s PHE 31 Ca 0.42 -0.56 -0.18 0.00 -0.96 0.00 0.00 56.93 55.64 1pm6 s PHE 31 Cb -0.09 -1.21 -0.05 0.00 -0.34 0.00 0.00 43.02 41.34 1pm6 s PHE 31 CO 0.27 -0.21 1.12 -1.25 -1.46 0.00 0.00 175.22 173.69 1pm6 s PRO 32 N 0.16 3.24 0.49 10.12 0.04 -1.26 -2.08 135.00 145.70 1pm6 s PRO 32 Ca -0.07 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 1pm6 s PRO 32 Cb -0.13 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1pm6 s PRO 32 CO 0.03 -0.92 1.19 -1.25 0.04 0.00 0.00 177.00 176.09 1pm6 s PRO 33 N -3.49 3.60 0.45 0.56 0.04 -1.25 -4.71 135.00 130.21 1pm6 s PRO 33 Ca 0.71 1.83 -0.21 0.00 0.04 0.00 0.00 61.00 63.37 1pm6 s PRO 33 Cb -0.23 -2.33 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 1pm6 s PRO 33 CO 0.30 -0.70 1.00 -1.25 0.04 0.00 0.00 177.00 176.39 1pm6 s PRO 34 N -2.80 4.02 -0.16 0.56 0.04 -1.26 -4.93 135.00 130.46 1pm6 s PRO 34 Ca 0.66 1.27 -0.22 0.00 0.04 0.00 0.00 61.00 62.75 1pm6 s PRO 34 Cb -0.30 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1pm6 s PRO 34 CO 0.36 -0.23 0.66 0.54 0.04 0.00 0.00 177.00 178.37 1pm6 s VAL 35 N -2.04 5.02 -0.31 -0.36 0.11 -0.74 -4.80 120.40 117.29 1pm6 s VAL 35 Ca 0.64 1.28 -0.26 0.00 -2.93 0.00 0.00 61.98 60.71 1pm6 s VAL 35 Cb -0.14 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.74 1pm6 s VAL 35 CO 0.17 0.14 0.91 -0.75 -3.33 0.00 0.00 175.10 172.25 1pm6 s LYS 36 N 1.64 4.02 0.00 1.54 2.36 -1.26 -0.85 119.74 127.19 1pm6 s LYS 36 Ca 0.31 0.82 0.00 0.00 -2.55 0.00 0.00 55.97 54.55 1pm6 s LYS 36 Cb -0.16 -3.73 0.00 0.00 -1.05 0.00 0.00 37.83 32.89 1pm6 s LYS 36 CO 0.12 -0.76 0.00 -3.47 1.55 0.00 0.00 175.35 172.79 1pm6 n ASP 37 N 6.46 0.00 0.00 1.43 2.03 -1.25 -5.02 116.55 120.19 1pm6 n ASP 37 Ca 0.07 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1pm6 n ASP 37 Cb 0.48 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1pm6 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pm6 n GLY 38 N 2.27 -0.66 0.00 0.27 0.00 -1.26 -5.01 105.19 100.79 1pm6 n GLY 38 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1pm6 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pm6 n ARG 39 N 0.00 0.00 -3.72 1.61 5.12 -1.26 -5.15 116.66 113.25 1pm6 n ARG 39 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1pm6 n ARG 39 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1pm6 s GLU 40 N 0.00 0.63 0.16 5.56 -1.05 -1.26 -5.13 118.70 117.61 1pm6 s GLU 40 Ca 0.00 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.71 1pm6 s GLU 40 Cb 0.00 0.29 -0.08 0.00 -0.44 0.00 0.00 34.13 33.90 1pm6 s GLU 40 CO 0.00 -0.14 1.25 0.71 0.95 0.00 0.00 175.26 178.03 1pm6 s TYR 41 N -0.64 3.36 -0.55 4.83 1.51 -1.26 -3.96 117.35 120.64 1pm6 s TYR 41 Ca -0.07 1.29 -0.19 0.00 -1.01 0.00 0.00 57.07 57.08 1pm6 s TYR 41 Cb -0.04 -3.51 0.08 0.00 -0.11 0.00 0.00 41.96 38.38 1pm6 s TYR 41 CO 0.03 -1.55 0.68 -0.51 -1.11 0.00 0.00 175.55 173.09 1pm6 s LEU 42 N 0.20 5.12 -0.14 -1.29 1.43 -0.03 -2.57 118.68 121.39 1pm6 s LEU 42 Ca 0.56 -1.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 1pm6 s LEU 42 Cb -0.34 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1pm6 s LEU 42 CO 0.35 -1.02 0.59 -0.36 0.23 0.00 0.00 176.35 176.15 1pm6 s PHE 43 N 2.73 3.47 0.40 0.29 0.40 -0.17 -1.79 117.98 123.31 1pm6 s PHE 43 Ca 0.14 0.99 -0.26 0.00 -0.60 0.00 0.00 56.93 57.20 1pm6 s PHE 43 Cb -0.21 -2.72 -0.08 0.00 0.51 0.00 0.00 43.02 40.52 1pm6 s PHE 43 CO 0.09 -0.00 1.24 -1.58 0.70 0.00 0.00 175.22 175.68 1pm6 s HIS 44 N 1.23 2.92 -1.15 0.36 2.46 -1.26 -0.68 115.29 119.18 1pm6 s HIS 44 Ca 0.30 1.47 -0.21 0.00 0.47 0.00 0.00 55.06 57.09 1pm6 s HIS 44 Cb -0.16 -3.55 -0.06 0.00 -0.13 0.00 0.00 32.58 28.68 1pm6 s HIS 44 CO 0.12 -1.76 1.91 0.39 -2.47 0.00 0.00 174.74 172.93 1pm6 n GLU 45 N 0.10 2.03 0.00 2.88 1.02 -1.26 -1.83 120.64 123.57 1pm6 n GLU 45 Ca 0.04 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.64 1pm6 n GLU 45 Cb 0.45 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.38 1pm6 n GLU 45 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pm6 n SER 46 N 11.12 0.00 -4.66 1.62 2.88 -1.26 -4.99 113.62 118.33 1pm6 n SER 46 Ca 0.47 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.58 1pm6 n SER 46 Cb 0.45 0.00 -0.03 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 n ALA 47 N 0.00 1.51 -2.78 -1.46 0.00 -0.76 -4.75 120.51 112.27 1pm6 n ALA 47 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1pm6 n ALA 47 Cb 0.00 -2.68 -0.12 0.00 0.00 0.00 0.00 19.45 16.65 1pm6 n ALA 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pm6 s VAL 48 N 4.67 0.79 0.04 0.00 -7.23 -0.88 -4.79 120.40 112.98 1pm6 s VAL 48 Ca 0.90 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 1pm6 s VAL 48 Cb -0.46 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1pm6 s VAL 48 CO 0.43 -0.25 1.74 -1.59 -0.31 0.00 0.00 175.10 175.12 1pm6 s LYS 49 N -1.48 4.18 -0.85 4.82 0.00 -1.26 -1.19 119.74 123.95 1pm6 s LYS 49 Ca -0.05 2.38 -0.25 0.00 0.00 0.00 0.00 55.97 58.05 1pm6 s LYS 49 Cb -0.09 -3.82 0.01 0.00 0.00 0.00 0.00 37.83 33.93 1pm6 s LYS 49 CO 0.01 -0.82 1.59 0.14 0.00 0.00 0.00 175.35 176.27 1pm6 s VAL 50 N 3.40 3.67 -0.71 1.79 -7.23 -0.16 -4.95 120.40 116.22 1pm6 s VAL 50 Ca 0.78 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 60.47 1pm6 s VAL 50 Cb -0.39 -4.60 0.04 0.00 0.56 0.00 0.00 36.38 31.98 1pm6 s VAL 50 CO 0.34 -1.52 1.22 -0.62 -0.31 0.00 0.00 175.10 174.20 1pm6 s ASP 51 N 5.87 6.19 -0.95 4.85 -1.08 -1.26 -4.96 116.67 125.32 1pm6 s ASP 51 Ca 0.52 -0.49 -0.24 0.00 -0.52 0.00 0.00 52.55 51.81 1pm6 s ASP 51 Cb -0.06 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.80 1pm6 s ASP 51 CO 0.04 -1.74 2.01 -0.22 0.52 0.00 0.00 175.17 175.78 1pm6 s LEU 52 N 5.39 3.07 -0.13 -1.34 2.96 -1.26 -4.91 118.68 122.46 1pm6 s LEU 52 Ca 0.33 -0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1pm6 s LEU 52 Cb -0.09 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.06 1pm6 s LEU 52 CO 0.15 -3.03 -0.08 0.21 -1.32 0.00 0.00 176.35 172.27 1pm6 s ASN 53 N 8.13 2.35 0.51 3.68 2.47 -1.26 -5.15 114.94 125.67 1pm6 s ASN 53 Ca 0.73 -0.38 -0.22 0.00 0.42 0.00 0.00 52.86 53.42 1pm6 s ASN 53 Cb -0.06 -0.90 -0.06 0.00 -1.45 0.00 0.00 41.25 38.78 1pm6 s ASN 53 CO 0.04 -0.12 1.22 -0.13 -3.72 0.00 0.00 177.10 174.39 1pm6 s ARG 54 N 1.67 3.41 0.12 0.43 0.52 -1.26 -5.00 118.95 118.83 1pm6 s ARG 54 Ca 0.04 1.89 -0.18 0.00 -0.52 0.00 0.00 55.73 56.97 1pm6 s ARG 54 Cb -0.13 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1pm6 s ARG 54 CO -0.09 -0.87 1.68 -1.00 0.02 0.00 0.00 175.30 175.04 1pm6 h PRO 55 N 1.61 0.44 -5.35 3.54 0.13 -2.02 -3.49 132.00 126.86 1pm6 h PRO 55 Ca -0.50 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1pm6 h PRO 55 Cb 1.27 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pm6 h PRO 55 CO 0.58 0.43 -0.00 0.28 -0.23 0.00 0.00 178.00 179.06 1pm6 n VAL 56 N -4.76-10.10 -2.80 1.56 0.31 -1.26 -4.91 118.33 96.37 1pm6 n VAL 56 Ca -0.02 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.65 1pm6 n VAL 56 Cb 0.12 -6.91 -0.03 0.00 -0.91 0.00 0.00 33.84 26.11 1pm6 n VAL 56 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1pm6 s THR 57 N -3.00 4.30 -1.30 2.52 -4.23 -1.26 -4.96 115.64 107.71 1pm6 s THR 57 Ca 0.00 -0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.68 1pm6 s THR 57 Cb -0.00 -4.79 0.03 0.00 1.34 0.00 0.00 72.50 69.07 1pm6 s THR 57 CO 0.74 -1.59 1.92 0.61 -0.54 0.00 0.00 174.62 175.76 1pm6 n GLY 58 N 5.60 2.92 3.46 3.99 0.00 -1.26 -4.94 105.19 114.96 1pm6 n GLY 58 Ca 0.10 -1.40 -0.44 0.00 0.00 0.00 0.00 46.02 44.28 1pm6 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pm6 s SER 59 N 4.26 6.89 -0.43 1.61 0.15 -1.26 -5.01 113.70 119.90 1pm6 s SER 59 Ca 0.54 -2.60 -0.22 0.00 0.70 0.00 0.00 55.95 54.37 1pm6 s SER 59 Cb 0.07 -2.40 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1pm6 s SER 59 CO 0.04 -0.88 0.72 -0.22 1.20 0.00 0.00 173.24 174.11 1pm6 s LEU 60 N 2.04 4.33 -0.17 3.45 1.98 -1.26 -5.02 118.68 124.04 1pm6 s LEU 60 Ca 0.39 -0.15 -0.04 0.00 -2.89 0.00 0.00 54.13 51.44 1pm6 s LEU 60 Cb -0.04 -2.87 0.08 0.00 0.66 0.00 0.00 46.19 44.02 1pm6 s LEU 60 CO -0.04 -0.83 0.21 -0.22 -1.89 0.00 0.00 176.35 173.57 1pm6 s LEU 61 N 3.07 -0.10 -0.19 -0.68 0.20 -1.26 -5.15 118.68 114.58 1pm6 s LEU 61 Ca 0.27 -0.03 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 1pm6 s LEU 61 Cb -0.13 0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.99 1pm6 s LEU 61 CO 0.20 -0.30 -0.09 -0.75 -0.29 0.00 0.00 176.35 175.12 1pm6 s LYS 62 N 2.32 3.33 0.21 1.98 2.20 -1.26 -5.13 119.74 123.39 1pm6 s LYS 62 Ca 0.05 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.80 1pm6 s LYS 62 Cb -0.15 -2.83 -0.08 0.00 -1.51 0.00 0.00 37.83 33.26 1pm6 s LYS 62 CO -0.10 -0.07 0.70 1.03 -0.36 0.00 0.00 175.35 176.55 1pm6 s ARG 63 N 1.10 4.21 0.04 4.03 0.52 -1.26 -5.11 118.95 122.48 1pm6 s ARG 63 Ca 0.01 0.82 -0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1pm6 s ARG 63 Cb -0.15 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 1pm6 s ARG 63 CO -0.02 0.41 0.15 0.96 0.02 0.00 0.00 175.30 176.82 1pm6 s ILE 64 N -1.51 5.11 0.17 1.52 -5.25 -1.26 -5.12 121.20 114.85 1pm6 s ILE 64 Ca 0.42 -0.42 -0.30 0.00 -0.99 0.00 0.00 60.65 59.36 1pm6 s ILE 64 Cb -0.16 -3.44 -0.07 0.00 2.95 0.00 0.00 42.46 41.74 1pm6 s ILE 64 CO 0.21 0.21 0.98 0.00 -1.79 0.00 0.00 174.94 174.55 1pm6 s ARG 65 N -2.23 4.73 -0.10 0.37 1.70 -1.26 -5.06 118.95 117.10 1pm6 s ARG 65 Ca 0.30 1.52 -0.22 0.00 -0.47 0.00 0.00 55.73 56.86 1pm6 s ARG 65 Cb -0.13 -3.32 -0.04 0.00 -0.57 0.00 0.00 34.95 30.90 1pm6 s ARG 65 CO 0.22 0.29 0.65 0.54 -1.08 0.00 0.00 175.30 175.92 1pm6 s ASN 66 N -0.42 6.88 -0.21 -2.89 4.22 -1.26 -5.08 114.94 116.18 1pm6 s ASN 66 Ca 0.45 1.06 -0.03 0.00 -2.14 0.00 0.00 52.86 52.20 1pm6 s ASN 66 Cb -0.25 -2.38 -0.01 0.00 1.28 0.00 0.00 41.25 39.89 1pm6 s ASN 66 CO 0.32 -0.12 -0.07 -0.83 -2.04 0.00 0.00 177.10 174.36 1pm6 s GLY 67 N 0.82 1.58 -0.06 0.45 0.00 -1.26 -5.12 107.32 103.74 1pm6 s GLY 67 Ca 0.34 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1pm6 s GLY 67 CO 0.15 0.37 -0.08 1.25 0.00 0.00 0.00 173.10 174.79 1pm6 s LYS 68 N 1.37 1.24 0.34 2.90 2.36 -1.26 -5.15 119.74 121.53 1pm6 s LYS 68 Ca 0.05 -0.25 -0.23 0.00 -2.55 0.00 0.00 55.97 52.99 1pm6 s LYS 68 Cb -0.14 -1.11 -0.10 0.00 -1.05 0.00 0.00 37.83 35.43 1pm6 s LYS 68 CO -0.04 -0.04 0.90 0.15 1.55 0.00 0.00 175.35 177.87 1pm6 s LYS 69 N 0.83 4.39 0.49 4.03 3.01 -1.26 -5.10 119.74 126.13 1pm6 s LYS 69 Ca -0.12 1.15 0.01 0.00 -1.01 0.00 0.00 55.97 56.00 1pm6 s LYS 69 Cb -0.15 -2.60 0.01 0.00 -1.01 0.00 0.00 37.83 34.08 1pm6 s LYS 69 CO 0.01 0.20 0.71 0.00 0.51 0.00 0.00 175.35 176.78 1pm6 s ALA 70 N -1.80 3.88 0.07 5.17 0.00 -1.26 -5.09 121.76 122.73 1pm6 s ALA 70 Ca 0.53 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 1pm6 s ALA 70 Cb -0.15 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 1pm6 s ALA 70 CO 0.20 -0.53 1.20 0.21 0.00 0.00 0.00 175.76 176.84 1pm6 s LYS 71 N -4.62 4.43 0.00 0.00 2.20 -1.26 -5.38 119.74 115.11 1pm6 s LYS 71 Ca 0.53 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 1pm6 s LYS 71 Cb -0.10 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1pm6 s LYS 71 CO 0.38 -0.25 0.26 0.45 -0.36 0.00 0.00 175.35 175.82