#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 -1.10 -2.93 2.03 4.01 -1.26 -5.04 117.16 112.87 1pm6 n TYR 2 Ca 0.00 0.49 -0.38 0.00 -0.16 0.00 0.00 57.90 57.84 1pm6 n TYR 2 Cb 0.00 -2.19 -0.06 0.00 -0.31 0.00 0.00 39.34 36.78 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 -0.46 4.49 0.74 7.72 2.34 0.53 -4.68 118.68 129.36 1pm6 s LEU 3 Ca 0.00 1.68 -0.15 0.00 0.06 0.00 0.00 54.13 55.72 1pm6 s LEU 3 Cb -0.00 -3.57 0.04 0.00 -0.56 0.00 0.00 46.19 42.10 1pm6 s LEU 3 CO 0.21 0.10 1.15 0.41 -1.06 0.00 0.00 176.35 177.16 1pm6 n THR 4 N 1.15 3.00 -0.29 5.48 -1.04 -1.26 -0.84 114.28 120.48 1pm6 n THR 4 Ca -0.03 -0.33 0.06 0.00 -2.04 0.00 0.00 64.05 61.71 1pm6 n THR 4 Cb 0.49 -1.24 0.16 0.00 -1.82 0.00 0.00 70.33 67.92 1pm6 n THR 4 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1pm6 h LEU 5 N -0.35 -0.54 -0.59 -4.42 6.46 -1.74 0.16 115.31 114.29 1pm6 h LEU 5 Ca -0.48 0.23 -0.12 0.00 -0.12 0.00 0.00 57.88 57.39 1pm6 h LEU 5 Cb 1.32 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 41.67 1pm6 h LEU 5 CO 0.48 -0.25 -0.20 1.56 -0.62 0.00 0.00 178.44 179.41 1pm6 h GLN 6 N 0.04 0.92 -0.80 1.25 4.20 -1.92 -2.35 115.11 116.45 1pm6 h GLN 6 Ca 0.44 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1pm6 h GLN 6 Cb 0.77 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1pm6 h GLN 6 CO -0.79 1.03 0.37 0.93 -0.67 0.00 0.00 178.83 179.70 1pm6 h GLU 7 N 0.80 1.16 0.08 1.46 5.08 -1.64 -1.74 114.58 119.77 1pm6 h GLU 7 Ca 0.11 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1pm6 h GLU 7 Cb 0.75 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1pm6 h GLU 7 CO 0.06 0.91 -0.09 2.35 -1.00 0.00 0.00 179.01 181.24 1pm6 h TRP 8 N 1.15 -0.22 -0.62 4.33 7.01 -0.71 -0.35 115.95 126.53 1pm6 h TRP 8 Ca 0.27 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.30 1pm6 h TRP 8 Cb 0.14 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 1pm6 h TRP 8 CO 0.02 -0.14 0.38 -0.97 -2.79 0.00 0.00 178.44 174.94 1pm6 h ASN 9 N -0.19 0.62 -0.24 2.65 -1.24 -1.43 -2.17 115.58 113.58 1pm6 h ASN 9 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1pm6 h ASN 9 Cb 0.19 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1pm6 h ASN 9 CO -0.03 0.44 0.10 0.00 -1.29 0.00 0.00 177.43 176.64 1pm6 h ALA 10 N 1.27 1.60 -0.50 1.57 0.00 -1.34 -3.10 119.26 118.75 1pm6 h ALA 10 Ca 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1pm6 h ALA 10 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pm6 h ALA 10 CO -0.10 0.31 0.14 0.00 0.00 0.00 0.00 179.25 179.60 1pm6 h ARG 11 N 0.43 0.75 -6.63 0.00 -0.00 -0.72 -3.45 114.38 104.77 1pm6 h ARG 11 Ca 0.11 -0.14 -0.52 0.00 -0.50 0.00 0.00 59.98 58.93 1pm6 h ARG 11 Cb 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 29.97 30.03 1pm6 h ARG 11 CO -0.01 0.67 0.88 -0.65 0.00 0.00 0.00 179.97 180.86 1pm6 s GLN 12 N -5.23 4.21 0.34 0.04 -1.52 -0.84 -4.95 119.66 111.70 1pm6 s GLN 12 Ca -0.09 2.38 0.11 0.00 -1.95 0.00 0.00 55.36 55.81 1pm6 s GLN 12 Cb 0.16 -3.14 0.91 0.00 -0.22 0.00 0.00 33.01 30.71 1pm6 s GLN 12 CO 0.79 -0.60 1.76 0.00 -0.25 0.00 0.00 175.29 176.99 1pm6 h ARG 13 N 6.58 0.57 -4.80 2.91 2.47 -1.87 -3.27 114.38 116.98 1pm6 h ARG 13 Ca -0.43 -0.03 -0.68 0.00 -1.26 0.00 0.00 59.98 57.57 1pm6 h ARG 13 Cb 1.21 -0.13 -0.30 0.00 -1.65 0.00 0.00 29.97 29.09 1pm6 h ARG 13 CO 0.90 0.37 -0.68 1.03 0.56 0.00 0.00 179.97 182.16 1pm6 s ARG 14 N -5.70 2.72 0.11 0.04 0.52 -1.26 -5.12 118.95 110.25 1pm6 s ARG 14 Ca -0.10 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 53.72 1pm6 s ARG 14 Cb 0.26 -3.22 -0.07 0.00 0.52 0.00 0.00 34.95 32.44 1pm6 s ARG 14 CO 0.80 -0.53 1.28 -1.25 0.02 0.00 0.00 175.30 175.62 1pm6 s PRO 15 N 1.35 4.39 0.58 3.54 0.04 -1.23 -5.05 135.00 138.62 1pm6 s PRO 15 Ca -0.01 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.04 1pm6 s PRO 15 Cb -0.18 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.16 1pm6 s PRO 15 CO -0.01 -0.30 0.73 1.03 0.04 0.00 0.00 177.00 178.49 1pm6 s ARG 16 N 0.81 2.26 0.20 4.56 3.00 -1.26 -5.10 118.95 123.42 1pm6 s ARG 16 Ca 0.60 -1.76 -0.31 0.00 0.00 0.00 0.00 55.73 54.26 1pm6 s ARG 16 Cb -0.33 -2.52 -0.09 0.00 0.00 0.00 0.00 34.95 32.00 1pm6 s ARG 16 CO 0.31 -0.86 1.44 -1.12 0.00 0.00 0.00 175.30 175.08 1pm6 s SER 17 N -4.61 6.70 0.44 0.23 0.01 -1.26 -4.96 113.70 110.25 1pm6 s SER 17 Ca 0.56 2.56 0.11 0.00 1.31 0.00 0.00 55.95 60.49 1pm6 s SER 17 Cb -0.05 -2.61 1.01 0.00 0.21 0.00 0.00 66.02 64.58 1pm6 s SER 17 CO 0.35 -0.70 2.06 -0.07 0.41 0.00 0.00 173.24 175.30 1pm6 h LEU 18 N 5.83 0.33 -1.23 2.44 3.38 -1.99 -1.76 115.31 122.30 1pm6 h LEU 18 Ca -0.44 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1pm6 h LEU 18 Cb 1.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1pm6 h LEU 18 CO 0.83 0.23 0.52 -0.33 0.09 0.00 0.00 178.44 179.77 1pm6 h GLU 19 N 0.38 1.02 -0.23 1.13 5.08 -1.98 -0.28 114.58 119.70 1pm6 h GLU 19 Ca 0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1pm6 h GLU 19 Cb 0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1pm6 h GLU 19 CO -0.03 0.68 0.07 1.15 -1.00 0.00 0.00 179.01 179.87 1pm6 h THR 20 N 1.05 1.20 -0.53 1.13 2.02 -1.73 -0.75 112.91 115.30 1pm6 h THR 20 Ca 0.29 -0.62 0.09 0.00 0.77 0.00 0.00 66.41 66.94 1pm6 h THR 20 Cb -0.10 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 1pm6 h THR 20 CO -0.07 0.20 0.13 0.58 0.37 0.00 0.00 175.52 176.73 1pm6 h VAL 21 N 0.21 0.72 -0.62 3.16 2.07 -1.41 -0.95 116.25 119.43 1pm6 h VAL 21 Ca 0.08 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1pm6 h VAL 21 Cb 0.24 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1pm6 h VAL 21 CO -0.00 0.05 0.18 -0.09 0.02 0.00 0.00 177.57 177.73 1pm6 h ARG 22 N 0.28 0.95 -0.37 1.57 1.12 -1.02 -1.65 114.38 115.26 1pm6 h ARG 22 Ca 0.27 -0.19 0.03 0.00 -1.11 0.00 0.00 59.98 58.98 1pm6 h ARG 22 Cb 0.36 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.14 1pm6 h ARG 22 CO -0.33 0.83 0.18 -0.09 -3.11 0.00 0.00 179.97 177.45 1pm6 h ARG 23 N 0.92 0.35 -0.85 0.20 2.43 -0.96 -1.09 114.38 115.39 1pm6 h ARG 23 Ca 0.20 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1pm6 h ARG 23 Cb 0.29 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1pm6 h ARG 23 CO -0.01 0.23 0.55 -1.49 -1.51 0.00 0.00 179.97 177.75 1pm6 h TRP 24 N 0.37 0.86 -0.08 2.20 4.06 -0.97 -1.18 115.95 121.20 1pm6 h TRP 24 Ca 0.16 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.12 1pm6 h TRP 24 Cb 0.08 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 1pm6 h TRP 24 CO -0.11 0.39 -0.01 0.28 -3.56 0.00 0.00 178.44 175.43 1pm6 h VAL 25 N 0.79 1.28 -0.56 1.49 2.07 -1.23 0.39 116.25 120.48 1pm6 h VAL 25 Ca 0.40 -0.90 0.11 0.00 0.82 0.00 0.00 66.70 67.13 1pm6 h VAL 25 Cb 0.47 1.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.87 1pm6 h VAL 25 CO -0.16 0.25 -0.06 0.03 0.02 0.00 0.00 177.57 177.65 1pm6 h ARG 26 N -0.18 0.06 0.00 1.57 3.08 -0.89 -2.27 114.38 115.76 1pm6 h ARG 26 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1pm6 h ARG 26 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1pm6 h ARG 26 CO 0.01 0.04 0.00 -0.85 -1.07 0.00 0.00 179.97 178.10 1pm6 n GLU 27 N -5.32 0.95 -3.55 0.04 0.28 -0.47 -4.96 120.64 107.61 1pm6 n GLU 27 Ca 0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.87 1pm6 n GLU 27 Cb 0.31 -1.18 0.07 0.00 1.43 0.00 0.00 31.44 32.07 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1pm6 n SER 28 N -0.68 -2.74 -0.07 -1.84 7.64 -0.85 -5.00 113.62 110.07 1pm6 n SER 28 Ca 0.08 -0.66 -0.22 0.00 1.01 0.00 0.00 58.87 59.09 1pm6 n SER 28 Cb 0.04 -4.80 -0.12 0.00 -1.01 0.00 0.00 64.21 58.31 1pm6 n SER 28 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1pm6 h ARG 29 N -2.04 0.09 -6.61 1.43 2.47 -1.17 -3.46 114.38 105.08 1pm6 h ARG 29 Ca -0.59 -0.15 -0.56 0.00 -1.26 0.00 0.00 59.98 57.42 1pm6 h ARG 29 Cb 1.35 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.66 1pm6 h ARG 29 CO 0.53 1.07 0.99 0.42 0.56 0.00 0.00 179.97 183.54 1pm6 s ILE 30 N -2.42 4.05 -0.05 2.04 1.01 -1.25 -1.42 121.20 123.16 1pm6 s ILE 30 Ca -0.26 1.01 0.04 0.00 0.00 0.00 0.00 60.65 61.45 1pm6 s ILE 30 Cb 0.06 -4.56 -0.00 0.00 0.01 0.00 0.00 42.46 37.96 1pm6 s ILE 30 CO 0.65 -1.09 -0.19 0.12 0.00 0.00 0.00 174.94 174.43 1pm6 s PHE 31 N 4.96 1.90 0.60 3.97 5.36 -0.45 -3.75 117.98 130.57 1pm6 s PHE 31 Ca 0.49 -0.59 -0.17 0.00 -0.96 0.00 0.00 56.93 55.70 1pm6 s PHE 31 Cb -0.09 -1.28 -0.03 0.00 -0.34 0.00 0.00 43.02 41.29 1pm6 s PHE 31 CO 0.29 -0.21 1.12 -1.25 -1.46 0.00 0.00 175.22 173.71 1pm6 s PRO 32 N 0.10 3.08 0.44 10.12 0.04 -1.26 -2.04 135.00 145.48 1pm6 s PRO 32 Ca -0.06 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1pm6 s PRO 32 Cb -0.13 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1pm6 s PRO 32 CO 0.03 -1.05 1.22 -1.25 0.04 0.00 0.00 177.00 175.99 1pm6 s PRO 33 N -3.71 3.80 0.45 0.56 0.04 -1.25 -4.65 135.00 130.24 1pm6 s PRO 33 Ca 0.70 1.92 -0.23 0.00 0.04 0.00 0.00 61.00 63.42 1pm6 s PRO 33 Cb -0.22 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.72 1pm6 s PRO 33 CO 0.34 -0.55 1.15 -1.25 0.04 0.00 0.00 177.00 176.73 1pm6 s PRO 34 N -2.53 3.83 -0.42 0.56 0.04 -1.26 -4.82 135.00 130.41 1pm6 s PRO 34 Ca 0.61 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.11 1pm6 s PRO 34 Cb -0.32 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1pm6 s PRO 34 CO 0.40 -0.48 1.07 0.08 0.04 0.00 0.00 177.00 178.11 1pm6 s VAL 35 N -1.56 4.37 -0.54 -0.36 1.01 0.03 -4.73 120.40 118.63 1pm6 s VAL 35 Ca 0.62 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 63.65 1pm6 s VAL 35 Cb -0.28 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.62 1pm6 s VAL 35 CO 0.34 -0.78 1.43 -0.75 0.00 0.00 0.00 175.10 175.34 1pm6 s LYS 36 N 4.02 3.33 -0.07 2.72 2.20 -1.26 -0.87 119.74 129.82 1pm6 s LYS 36 Ca 0.45 0.55 -0.11 0.00 -0.36 0.00 0.00 55.97 56.49 1pm6 s LYS 36 Cb -0.09 -4.11 -0.07 0.00 -1.51 0.00 0.00 37.83 32.04 1pm6 s LYS 36 CO 0.25 -1.89 0.44 0.22 -0.36 0.00 0.00 175.35 174.01 1pm6 h ASP 37 N 11.11 -0.24 0.00 1.43 1.82 -1.95 -3.49 116.42 125.10 1pm6 h ASP 37 Ca -0.27 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1pm6 h ASP 37 Cb 1.10 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1pm6 h ASP 37 CO 1.16 0.26 0.00 0.61 -1.61 0.00 0.00 179.24 179.66 1pm6 n GLY 38 N 0.97 0.00 1.11 -0.78 0.00 -1.26 -5.06 105.19 100.17 1pm6 n GLY 38 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -4.36 1.61 0.63 -1.26 -5.15 116.66 108.14 1pm6 n ARG 39 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 1pm6 n ARG 39 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1pm6 s GLU 40 N -1.90 1.70 0.08 -0.14 8.01 -1.26 -5.14 118.70 120.05 1pm6 s GLU 40 Ca 0.00 -1.36 -0.30 0.00 0.01 0.00 0.00 54.97 53.32 1pm6 s GLU 40 Cb 0.00 -1.99 -0.06 0.00 -4.31 0.00 0.00 34.13 27.77 1pm6 s GLU 40 CO 0.00 0.43 1.12 0.71 0.01 0.00 0.00 175.26 177.53 1pm6 s TYR 41 N -1.49 3.54 -0.51 1.61 2.02 -1.26 -3.83 117.35 117.43 1pm6 s TYR 41 Ca 0.20 1.47 -0.15 0.00 -0.37 0.00 0.00 57.07 58.23 1pm6 s TYR 41 Cb -0.09 -3.31 0.11 0.00 -0.40 0.00 0.00 41.96 38.27 1pm6 s TYR 41 CO 0.11 -0.79 0.44 -0.51 -1.57 0.00 0.00 175.55 173.23 1pm6 s LEU 42 N 0.68 5.94 0.27 -1.29 1.43 -0.05 -1.85 118.68 123.82 1pm6 s LEU 42 Ca 0.55 -1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 51.68 1pm6 s LEU 42 Cb -0.27 -2.17 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 1pm6 s LEU 42 CO 0.30 -0.77 0.95 -0.36 0.23 0.00 0.00 176.35 176.71 1pm6 s PHE 43 N 1.57 3.84 0.60 0.29 0.40 -0.02 -0.79 117.98 123.88 1pm6 s PHE 43 Ca 0.04 1.85 -0.18 0.00 -0.60 0.00 0.00 56.93 58.04 1pm6 s PHE 43 Cb -0.28 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 1pm6 s PHE 43 CO 0.03 0.28 1.14 -1.58 0.70 0.00 0.00 175.22 175.79 1pm6 s HIS 44 N -1.34 2.57 0.43 0.36 2.46 -1.26 -0.35 115.29 118.17 1pm6 s HIS 44 Ca 0.45 1.55 0.11 0.00 0.47 0.00 0.00 55.06 57.63 1pm6 s HIS 44 Cb -0.24 -3.29 0.98 0.00 -0.13 0.00 0.00 32.58 29.90 1pm6 s HIS 44 CO 0.30 -1.78 2.04 1.49 -2.47 0.00 0.00 174.74 174.31 1pm6 h GLU 45 N 0.65 0.41 -1.07 2.88 4.22 -1.95 -1.69 114.58 118.03 1pm6 h GLU 45 Ca -0.49 -0.02 -0.45 0.00 0.08 0.00 0.00 59.36 58.48 1pm6 h GLU 45 Cb 1.26 -0.09 -0.24 0.00 0.50 0.00 0.00 28.75 30.18 1pm6 h GLU 45 CO 0.55 0.27 0.58 0.43 -2.18 0.00 0.00 179.01 178.66 1pm6 n SER 46 N -4.48 4.80 -4.66 1.04 7.64 -1.26 -4.99 113.62 111.71 1pm6 n SER 46 Ca 0.05 -3.34 -0.42 0.00 1.01 0.00 0.00 58.87 56.17 1pm6 n SER 46 Cb 0.20 -0.85 -0.04 0.00 -1.01 0.00 0.00 64.21 62.51 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pm6 s ALA 47 N -2.73 3.59 0.00 -0.43 0.00 -0.64 -4.32 121.76 117.23 1pm6 s ALA 47 Ca 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1pm6 s ALA 47 Cb 0.39 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1pm6 s ALA 47 CO 0.06 -0.79 0.01 0.14 0.00 0.00 0.00 175.76 175.17 1pm6 s VAL 48 N 2.50 0.05 -0.07 0.00 -7.23 -0.87 -4.86 120.40 109.93 1pm6 s VAL 48 Ca 0.36 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 1pm6 s VAL 48 Cb -0.16 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1pm6 s VAL 48 CO 0.10 -0.21 1.29 -1.59 -0.31 0.00 0.00 175.10 174.37 1pm6 s LYS 49 N -0.63 4.30 -0.54 4.82 0.00 -1.26 -1.34 119.74 125.08 1pm6 s LYS 49 Ca -0.07 1.78 -0.28 0.00 0.00 0.00 0.00 55.97 57.40 1pm6 s LYS 49 Cb -0.04 -3.63 0.01 0.00 0.00 0.00 0.00 37.83 34.16 1pm6 s LYS 49 CO -0.00 -0.56 1.52 0.14 0.00 0.00 0.00 175.35 176.44 1pm6 s VAL 50 N 2.65 3.69 -1.10 1.79 -7.23 -0.51 -4.94 120.40 114.76 1pm6 s VAL 50 Ca 0.59 0.59 -0.04 0.00 -1.81 0.00 0.00 61.98 61.30 1pm6 s VAL 50 Cb -0.26 -4.28 0.30 0.00 0.56 0.00 0.00 36.38 32.69 1pm6 s VAL 50 CO 0.22 -1.05 1.58 -0.67 -0.31 0.00 0.00 175.10 174.88 1pm6 n ASP 51 N 10.09 6.47 -1.04 4.85 2.03 -1.26 -4.98 116.55 132.71 1pm6 n ASP 51 Ca 0.15 -3.42 0.00 0.00 0.52 0.00 0.00 54.79 52.03 1pm6 n ASP 51 Cb 0.49 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1pm6 n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pm6 n LEU 52 N 1.36 -1.19 -4.11 -2.67 4.77 -1.26 -4.90 117.00 109.00 1pm6 n LEU 52 Ca 0.31 1.91 -0.37 0.00 -0.03 0.00 0.00 56.01 57.82 1pm6 n LEU 52 Cb 0.32 -1.73 -0.08 0.00 -2.33 0.00 0.00 43.42 39.60 1pm6 n LEU 52 CO 0.71 -0.44 0.15 0.20 -1.33 0.00 0.00 177.39 176.68 1pm6 s ASN 53 N -4.39 5.54 -0.04 -1.43 -0.87 -1.26 -5.09 114.94 107.39 1pm6 s ASN 53 Ca 0.00 -3.11 -0.15 0.00 -1.57 0.00 0.00 52.86 48.03 1pm6 s ASN 53 Cb 0.00 -1.89 -0.05 0.00 -0.02 0.00 0.00 41.25 39.29 1pm6 s ASN 53 CO 0.00 -0.32 0.40 0.00 -2.57 0.00 0.00 177.10 174.61 1pm6 s ARG 54 N -0.44 4.03 0.68 -0.60 1.70 -1.26 -5.12 118.95 117.94 1pm6 s ARG 54 Ca 0.20 0.37 -0.11 0.00 -0.47 0.00 0.00 55.73 55.73 1pm6 s ARG 54 Cb -0.16 -3.29 -0.00 0.00 -0.57 0.00 0.00 34.95 30.93 1pm6 s ARG 54 CO -0.06 0.54 1.05 -1.25 -1.08 0.00 0.00 175.30 174.50 1pm6 s PRO 55 N -0.56 3.10 -0.23 3.89 0.04 -1.26 -5.05 135.00 134.93 1pm6 s PRO 55 Ca 0.23 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1pm6 s PRO 55 Cb -0.16 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1pm6 s PRO 55 CO 0.11 -0.97 0.73 0.14 0.04 0.00 0.00 177.00 177.05 1pm6 s VAL 56 N -3.08 4.92 -0.21 -0.36 -7.23 -1.26 -5.07 120.40 108.12 1pm6 s VAL 56 Ca 0.57 1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 62.01 1pm6 s VAL 56 Cb -0.13 -4.03 -0.05 0.00 0.56 0.00 0.00 36.38 32.73 1pm6 s VAL 56 CO 0.55 0.01 0.13 0.42 -0.31 0.00 0.00 175.10 175.90 1pm6 s THR 57 N 2.46 5.29 0.21 5.32 -4.23 -1.26 -5.11 115.64 118.32 1pm6 s THR 57 Ca 0.31 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1pm6 s THR 57 Cb -0.16 -3.43 -0.00 0.00 1.34 0.00 0.00 72.50 70.24 1pm6 s THR 57 CO 0.09 0.40 0.05 0.61 -0.54 0.00 0.00 174.62 175.23 1pm6 n GLY 58 N 3.85 3.76 3.64 3.99 0.00 -1.26 -5.19 105.19 113.98 1pm6 n GLY 58 Ca -0.16 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 1pm6 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pm6 s SER 59 N -2.23 -0.66 0.11 1.61 0.01 -1.26 -5.19 113.70 106.09 1pm6 s SER 59 Ca 0.07 1.21 0.10 0.00 1.31 0.00 0.00 55.95 58.64 1pm6 s SER 59 Cb 0.00 1.24 -0.04 0.00 0.21 0.00 0.00 66.02 67.44 1pm6 s SER 59 CO 0.05 -0.20 -0.26 -1.48 0.41 0.00 0.00 173.24 171.75 1pm6 s LEU 60 N 0.64 2.28 0.00 2.44 2.34 -1.26 -5.16 118.68 119.96 1pm6 s LEU 60 Ca -0.02 -0.71 0.05 0.00 0.06 0.00 0.00 54.13 53.52 1pm6 s LEU 60 Cb -0.05 -1.22 -0.01 0.00 -0.56 0.00 0.00 46.19 44.35 1pm6 s LEU 60 CO -0.06 0.19 -0.15 -1.48 -1.06 0.00 0.00 176.35 173.78 1pm6 s LEU 61 N -1.85 2.07 -0.03 1.48 0.05 -1.26 -5.16 118.68 113.98 1pm6 s LEU 61 Ca 0.13 -0.33 0.04 0.00 0.05 0.00 0.00 54.13 54.01 1pm6 s LEU 61 Cb -0.10 -0.76 -0.00 0.00 -2.05 0.00 0.00 46.19 43.28 1pm6 s LEU 61 CO 0.05 0.15 -0.13 -0.75 -0.55 0.00 0.00 176.35 175.12 1pm6 s LYS 62 N -0.58 1.29 -0.04 1.48 2.47 -1.26 -5.16 119.74 117.95 1pm6 s LYS 62 Ca 0.05 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 54.01 1pm6 s LYS 62 Cb -0.06 -1.17 0.03 0.00 -1.46 0.00 0.00 37.83 35.16 1pm6 s LYS 62 CO -0.00 0.20 -0.00 -0.98 0.16 0.00 0.00 175.35 174.73 1pm6 s ARG 63 N 0.03 0.38 -0.28 4.03 1.04 -1.26 -5.14 118.95 117.74 1pm6 s ARG 63 Ca -0.02 0.07 -0.10 0.00 -1.04 0.00 0.00 55.73 54.64 1pm6 s ARG 63 Cb -0.09 -0.57 -0.04 0.00 -2.04 0.00 0.00 34.95 32.21 1pm6 s ARG 63 CO 0.01 -0.15 0.16 0.42 -0.04 0.00 0.00 175.30 175.70 1pm6 s ILE 64 N 1.14 4.97 -0.16 4.99 1.01 -1.26 -5.10 121.20 126.79 1pm6 s ILE 64 Ca -0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 1pm6 s ILE 64 Cb -0.13 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1pm6 s ILE 64 CO -0.02 0.22 0.08 0.00 0.00 0.00 0.00 174.94 175.22 1pm6 s ARG 65 N 1.70 3.78 0.29 2.79 3.03 -1.26 -5.12 118.95 124.15 1pm6 s ARG 65 Ca 0.06 -0.29 -0.15 0.00 2.03 0.00 0.00 55.73 57.39 1pm6 s ARG 65 Cb -0.16 -3.19 -0.09 0.00 -1.03 0.00 0.00 34.95 30.49 1pm6 s ARG 65 CO 0.08 0.43 0.70 0.54 -1.13 0.00 0.00 175.30 175.93 1pm6 s ASN 66 N -0.08 6.78 0.55 -2.89 4.22 -1.26 -5.13 114.94 117.14 1pm6 s ASN 66 Ca 0.07 1.23 0.09 0.00 -2.14 0.00 0.00 52.86 52.11 1pm6 s ASN 66 Cb -0.12 -2.35 0.09 0.00 1.28 0.00 0.00 41.25 40.15 1pm6 s ASN 66 CO 0.01 -0.15 0.72 0.61 -2.04 0.00 0.00 177.10 176.25 1pm6 n GLY 67 N -0.17 2.06 3.35 0.45 0.00 -1.26 -5.16 105.19 104.46 1pm6 n GLY 67 Ca 0.02 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 1pm6 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pm6 s LYS 68 N -4.48 0.45 0.12 1.61 2.36 -1.26 -5.18 119.74 113.35 1pm6 s LYS 68 Ca 0.55 0.93 -0.01 0.00 -2.55 0.00 0.00 55.97 54.89 1pm6 s LYS 68 Cb -0.04 0.09 -0.04 0.00 -1.05 0.00 0.00 37.83 36.78 1pm6 s LYS 68 CO 0.35 -0.17 0.29 -1.59 1.55 0.00 0.00 175.35 175.78 1pm6 s LYS 69 N 1.67 3.49 -0.04 4.03 0.00 -1.26 -5.14 119.74 122.50 1pm6 s LYS 69 Ca -0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 55.97 55.37 1pm6 s LYS 69 Cb -0.08 -2.95 0.03 0.00 0.00 0.00 0.00 37.83 34.82 1pm6 s LYS 69 CO -0.14 0.53 0.33 0.00 0.00 0.00 0.00 175.35 176.06 1pm6 s ALA 70 N -1.64 -0.83 0.18 0.59 0.00 -1.26 -5.19 121.76 113.62 1pm6 s ALA 70 Ca 0.37 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.82 1pm6 s ALA 70 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1pm6 s ALA 70 CO 0.27 -0.24 0.05 -1.59 0.00 0.00 0.00 175.76 174.25 1pm6 s LYS 71 N -1.03 1.14 0.00 0.00 -2.85 -1.26 -5.39 119.74 110.35 1pm6 s LYS 71 Ca -0.11 -1.57 0.17 0.00 -1.00 0.00 0.00 55.97 53.46 1pm6 s LYS 71 Cb -0.05 -0.06 0.99 0.00 -2.06 0.00 0.00 37.83 36.65 1pm6 s LYS 71 CO 0.04 -0.23 1.39 0.43 0.10 0.00 0.00 175.35 177.08