#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 -2.33 -3.44 1.12 4.01 -1.26 -4.94 117.16 110.32 1pm6 n TYR 2 Ca 0.00 0.99 -0.37 0.00 -0.16 0.00 0.00 57.90 58.36 1pm6 n TYR 2 Cb 0.00 -3.08 -0.06 0.00 -0.31 0.00 0.00 39.34 35.89 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 -1.48 4.31 0.66 7.72 2.96 0.67 -4.79 118.68 128.74 1pm6 s LEU 3 Ca 0.07 0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 54.54 1pm6 s LEU 3 Cb -0.02 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 1pm6 s LEU 3 CO 0.48 0.12 1.26 -0.89 -1.32 0.00 0.00 176.35 175.99 1pm6 s THR 4 N 0.16 2.19 0.17 3.68 2.01 -1.26 -0.84 115.64 121.74 1pm6 s THR 4 Ca 0.22 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 1pm6 s THR 4 Cb -0.15 -2.94 0.09 0.00 0.01 0.00 0.00 72.50 69.51 1pm6 s THR 4 CO 0.09 -0.03 1.66 0.25 -0.69 0.00 0.00 174.62 175.89 1pm6 h LEU 5 N 0.36 -0.44 -0.46 4.42 6.46 -1.92 0.23 115.31 123.95 1pm6 h LEU 5 Ca -0.50 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.43 1pm6 h LEU 5 Cb 1.32 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 41.48 1pm6 h LEU 5 CO 0.52 -0.16 0.23 -0.61 -0.62 0.00 0.00 178.44 177.80 1pm6 h GLN 6 N -0.04 0.44 -0.59 1.25 4.15 -1.93 -1.40 115.11 117.00 1pm6 h GLN 6 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1pm6 h GLN 6 Cb 0.33 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1pm6 h GLN 6 CO -0.42 0.29 0.38 1.49 -1.93 0.00 0.00 178.83 178.64 1pm6 h GLU 7 N 0.46 0.78 -0.08 1.69 4.57 -1.79 -1.98 114.58 118.22 1pm6 h GLU 7 Ca 0.20 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 1pm6 h GLU 7 Cb 0.11 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1pm6 h GLU 7 CO -0.15 0.53 -0.09 2.35 -1.18 0.00 0.00 179.01 180.47 1pm6 h TRP 8 N 0.79 -0.23 -0.63 0.92 7.01 -0.48 -1.37 115.95 121.97 1pm6 h TRP 8 Ca 0.21 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.35 1pm6 h TRP 8 Cb -0.07 0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.01 1pm6 h TRP 8 CO -0.03 -0.14 0.11 -0.97 -2.79 0.00 0.00 178.44 174.62 1pm6 h ASN 9 N -0.12 -0.05 -0.55 2.65 -1.24 -1.22 -1.96 115.58 113.08 1pm6 h ASN 9 Ca 0.06 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1pm6 h ASN 9 Cb 0.21 0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 1pm6 h ASN 9 CO -0.15 -0.02 0.36 0.00 -1.29 0.00 0.00 177.43 176.32 1pm6 h ALA 10 N 1.52 1.59 0.00 1.57 0.00 -1.22 -2.99 119.26 119.74 1pm6 h ALA 10 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1pm6 h ALA 10 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pm6 h ALA 10 CO -0.45 0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.71 1pm6 n ARG 11 N -4.45 0.16 -1.92 0.00 3.00 -0.53 -4.49 116.66 108.44 1pm6 n ARG 11 Ca 0.05 0.20 -0.41 0.00 -0.01 0.00 0.00 57.85 57.68 1pm6 n ARG 11 Cb 0.05 -1.71 -0.00 0.00 0.00 0.00 0.00 32.46 30.79 1pm6 n ARG 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1pm6 n GLN 12 N -1.99 3.66 0.00 5.56 1.13 -0.78 -4.86 117.38 120.10 1pm6 n GLN 12 Ca 0.05 -3.03 0.00 0.00 -1.94 0.00 0.00 57.00 52.08 1pm6 n GLN 12 Cb 0.35 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 27.77 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 3.90 0.00 -3.68 -1.09 1.74 -1.26 -4.71 116.66 111.57 1pm6 n ARG 13 Ca 0.55 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.54 1pm6 n ARG 13 Cb 0.32 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.66 1pm6 n ARG 13 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1pm6 s ARG 14 N 0.00 0.45 -0.88 5.56 1.70 -1.26 -5.09 118.95 119.43 1pm6 s ARG 14 Ca 0.00 0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 55.97 1pm6 s ARG 14 Cb 0.00 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1pm6 s ARG 14 CO 0.00 -0.17 1.55 -1.25 -1.08 0.00 0.00 175.30 174.35 1pm6 s PRO 15 N 1.73 3.18 -0.09 3.89 0.04 -1.24 -4.86 135.00 137.66 1pm6 s PRO 15 Ca -0.08 -0.55 -0.11 0.00 0.04 0.00 0.00 61.00 60.30 1pm6 s PRO 15 Cb -0.08 -4.91 -0.08 0.00 0.04 0.00 0.00 34.50 29.47 1pm6 s PRO 15 CO -0.15 -2.49 0.36 0.07 0.04 0.00 0.00 177.00 174.84 1pm6 h ARG 16 N 10.72 -0.11 -1.94 4.56 0.11 -1.94 -3.49 114.38 122.29 1pm6 h ARG 16 Ca 0.01 0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.07 1pm6 h ARG 16 Cb 1.04 0.03 -0.21 0.00 1.11 0.00 0.00 29.97 31.93 1pm6 h ARG 16 CO 1.33 0.15 0.20 0.45 0.10 0.00 0.00 179.97 182.20 1pm6 s SER 17 N -5.56 -0.68 0.32 0.08 0.15 -1.26 -5.02 113.70 101.73 1pm6 s SER 17 Ca -0.06 1.16 0.04 0.00 0.70 0.00 0.00 55.95 57.79 1pm6 s SER 17 Cb -0.00 1.13 0.56 0.00 -1.71 0.00 0.00 66.02 66.00 1pm6 s SER 17 CO 0.23 -0.33 1.84 -0.07 1.20 0.00 0.00 173.24 176.11 1pm6 h LEU 18 N 4.33 0.48 -1.13 3.45 4.07 -1.97 -2.69 115.31 121.85 1pm6 h LEU 18 Ca -0.28 -0.11 0.07 0.00 0.08 0.00 0.00 57.88 57.64 1pm6 h LEU 18 Cb 1.16 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.71 1pm6 h LEU 18 CO 0.15 0.60 0.60 -0.33 -1.08 0.00 0.00 178.44 178.37 1pm6 h GLU 19 N 0.47 1.01 -0.15 1.13 5.08 -1.99 -1.23 114.58 118.90 1pm6 h GLU 19 Ca 0.09 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1pm6 h GLU 19 Cb 0.42 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1pm6 h GLU 19 CO 0.02 0.67 -0.01 1.15 -1.00 0.00 0.00 179.01 179.84 1pm6 h THR 20 N 1.04 0.89 -0.64 1.13 2.02 -1.88 -1.28 112.91 114.18 1pm6 h THR 20 Ca 0.40 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.61 1pm6 h THR 20 Cb 0.21 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1pm6 h THR 20 CO -0.15 0.01 0.37 0.58 0.37 0.00 0.00 175.52 176.70 1pm6 h VAL 21 N 0.04 1.03 -0.52 3.16 2.07 -1.45 -2.19 116.25 118.38 1pm6 h VAL 21 Ca 0.07 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1pm6 h VAL 21 Cb 0.09 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1pm6 h VAL 21 CO -0.13 0.13 0.28 -0.09 0.02 0.00 0.00 177.57 177.79 1pm6 h ARG 22 N 0.72 0.53 -0.42 1.57 1.12 -1.07 -1.69 114.38 115.14 1pm6 h ARG 22 Ca 0.27 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.07 1pm6 h ARG 22 Cb 0.09 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.91 1pm6 h ARG 22 CO -0.14 0.35 0.11 0.07 -3.11 0.00 0.00 179.97 177.26 1pm6 h ARG 23 N 0.55 0.62 -0.73 0.20 0.11 -1.19 -1.70 114.38 112.24 1pm6 h ARG 23 Ca 0.23 -0.10 -0.04 0.00 0.10 0.00 0.00 59.98 60.16 1pm6 h ARG 23 Cb 0.10 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 1pm6 h ARG 23 CO -0.14 0.56 0.29 -1.49 0.10 0.00 0.00 179.97 179.29 1pm6 h TRP 24 N 0.61 1.10 0.08 4.08 6.55 -1.10 0.23 115.95 127.50 1pm6 h TRP 24 Ca 0.14 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 1pm6 h TRP 24 Cb 0.21 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 1pm6 h TRP 24 CO 0.01 0.83 -0.04 0.28 -1.05 0.00 0.00 178.44 178.48 1pm6 h VAL 25 N 1.06 1.06 -0.72 1.49 2.07 -1.29 -2.36 116.25 117.56 1pm6 h VAL 25 Ca 0.25 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1pm6 h VAL 25 Cb 0.20 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1pm6 h VAL 25 CO -0.02 0.12 0.48 0.03 0.02 0.00 0.00 177.57 178.19 1pm6 h ARG 26 N -0.32 0.79 0.00 1.57 2.47 -1.27 -1.40 114.38 116.22 1pm6 h ARG 26 Ca -0.01 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1pm6 h ARG 26 Cb 0.27 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1pm6 h ARG 26 CO 0.02 0.52 0.00 0.39 0.56 0.00 0.00 179.97 181.46 1pm6 n GLU 27 N -4.47 0.59 -3.60 0.04 1.02 0.06 -4.99 120.64 109.30 1pm6 n GLU 27 Ca 0.10 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 1pm6 n GLU 27 Cb 0.18 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pm6 n SER 28 N -1.11 -3.12 -2.57 1.62 2.88 -0.53 -5.00 113.62 105.80 1pm6 n SER 28 Ca 0.15 -0.84 -0.18 0.00 -1.33 0.00 0.00 58.87 56.68 1pm6 n SER 28 Cb 0.12 -4.15 0.02 0.00 -0.75 0.00 0.00 64.21 59.44 1pm6 n SER 28 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pm6 n ARG 29 N -4.06 2.29 -3.72 -1.46 1.74 -0.90 -4.99 116.66 105.55 1pm6 n ARG 29 Ca -0.21 -3.88 -0.19 0.00 -0.77 0.00 0.00 57.85 52.80 1pm6 n ARG 29 Cb 0.65 -1.75 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 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 -4.33 -0.05 -0.04 0.55 1.01 -1.26 -1.48 121.20 115.60 1pm6 s ILE 30 Ca 0.38 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.39 1pm6 s ILE 30 Cb 0.43 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.74 1pm6 s ILE 30 CO -0.07 0.16 -0.15 0.12 0.00 0.00 0.00 174.94 174.99 1pm6 s PHE 31 N 1.79 1.54 0.64 3.97 5.36 -0.42 -3.88 117.98 126.98 1pm6 s PHE 31 Ca 0.00 -0.44 -0.15 0.00 -0.96 0.00 0.00 56.93 55.38 1pm6 s PHE 31 Cb -0.12 -1.05 -0.01 0.00 -0.34 0.00 0.00 43.02 41.50 1pm6 s PHE 31 CO -0.03 -0.16 1.10 -1.25 -1.46 0.00 0.00 175.22 173.42 1pm6 s PRO 32 N 0.10 2.93 0.44 10.12 0.04 -1.26 -2.04 135.00 145.34 1pm6 s PRO 32 Ca -0.04 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.10 1pm6 s PRO 32 Cb -0.11 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1pm6 s PRO 32 CO 0.02 -1.14 1.17 -1.25 0.04 0.00 0.00 177.00 175.85 1pm6 s PRO 33 N -4.10 3.85 0.40 0.56 0.04 -1.25 -4.78 135.00 129.73 1pm6 s PRO 33 Ca 0.66 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.27 1pm6 s PRO 33 Cb -0.19 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 1pm6 s PRO 33 CO 0.40 -0.48 1.05 -1.25 0.04 0.00 0.00 177.00 176.76 1pm6 s PRO 34 N -2.56 4.15 -0.42 0.56 0.04 -1.26 -4.85 135.00 130.67 1pm6 s PRO 34 Ca 0.61 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 1pm6 s PRO 34 Cb -0.30 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 31.73 1pm6 s PRO 34 CO 0.37 -0.15 0.66 0.08 0.04 0.00 0.00 177.00 178.00 1pm6 s VAL 35 N -1.67 4.82 -0.39 -0.36 1.01 -0.65 -4.79 120.40 118.37 1pm6 s VAL 35 Ca 0.58 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 1pm6 s VAL 35 Cb -0.22 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 31.98 1pm6 s VAL 35 CO 0.27 -0.54 1.45 -0.75 0.00 0.00 0.00 175.10 175.53 1pm6 s LYS 36 N 2.86 3.58 -0.19 2.72 2.36 -1.26 -0.87 119.74 128.94 1pm6 s LYS 36 Ca 0.24 1.03 -0.03 0.00 -2.55 0.00 0.00 55.97 54.65 1pm6 s LYS 36 Cb -0.14 -4.03 0.06 0.00 -1.05 0.00 0.00 37.83 32.67 1pm6 s LYS 36 CO 0.18 -1.56 0.05 0.34 1.55 0.00 0.00 175.35 175.92 1pm6 s ASP 37 N 4.08 2.75 -1.40 1.43 -1.08 -0.14 -4.88 116.67 117.44 1pm6 s ASP 37 Ca 0.63 -0.76 -0.09 0.00 -0.52 0.00 0.00 52.55 51.81 1pm6 s ASP 37 Cb -0.15 -0.49 0.02 0.00 -1.46 0.00 0.00 42.92 40.84 1pm6 s ASP 37 CO 0.32 -0.32 1.11 0.61 0.52 0.00 0.00 175.17 177.41 1pm6 n GLY 38 N 5.12 -0.54 2.78 2.66 0.00 -1.26 -2.16 105.19 111.78 1pm6 n GLY 38 Ca -0.08 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.89 -3.40 -4.23 1.61 1.74 -1.26 -5.05 116.66 101.19 1pm6 n ARG 39 Ca -0.00 0.88 -0.24 0.00 -0.77 0.00 0.00 57.85 57.72 1pm6 n ARG 39 Cb 0.56 -5.63 -0.17 0.00 -1.02 0.00 0.00 32.46 26.20 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pm6 s GLU 40 N -5.44 1.34 -0.41 5.56 2.02 -0.92 -5.12 118.70 115.73 1pm6 s GLU 40 Ca 0.18 -0.25 -0.29 0.00 0.02 0.00 0.00 54.97 54.63 1pm6 s GLU 40 Cb -0.08 -1.27 0.02 0.00 0.10 0.00 0.00 34.13 32.90 1pm6 s GLU 40 CO 0.22 -0.11 1.11 0.71 0.02 0.00 0.00 175.26 177.22 1pm6 s TYR 41 N 1.11 2.96 -0.74 1.61 1.51 -1.26 -0.96 117.35 121.57 1pm6 s TYR 41 Ca -0.07 0.92 -0.21 0.00 -1.01 0.00 0.00 57.07 56.70 1pm6 s TYR 41 Cb -0.14 -4.12 0.09 0.00 -0.11 0.00 0.00 41.96 37.68 1pm6 s TYR 41 CO -0.01 -1.06 1.00 -0.51 -1.11 0.00 0.00 175.55 173.86 1pm6 s LEU 42 N 4.12 4.70 -0.32 -1.29 1.43 -0.05 -2.83 118.68 124.44 1pm6 s LEU 42 Ca 0.47 -1.39 -0.24 0.00 -1.03 0.00 0.00 54.13 51.94 1pm6 s LEU 42 Cb -0.09 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1pm6 s LEU 42 CO 0.25 -1.29 0.81 -0.36 0.23 0.00 0.00 176.35 175.99 1pm6 s PHE 43 N 3.48 3.18 0.33 0.29 0.40 -0.02 -1.64 117.98 124.00 1pm6 s PHE 43 Ca 0.25 0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 57.08 1pm6 s PHE 43 Cb -0.14 -3.28 -0.12 0.00 0.51 0.00 0.00 43.02 39.99 1pm6 s PHE 43 CO 0.03 -0.61 1.45 1.58 0.70 0.00 0.00 175.22 178.37 1pm6 n HIS 44 N 6.29 2.65 -2.26 0.36 -0.00 -1.26 -0.24 115.22 120.76 1pm6 n HIS 44 Ca 0.04 0.42 -0.33 0.00 -0.00 0.00 0.00 57.72 57.86 1pm6 n HIS 44 Cb 0.48 -2.51 -0.04 0.00 -0.00 0.00 0.00 29.99 27.92 1pm6 n HIS 44 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1pm6 s GLU 45 N -1.41 3.01 0.00 1.57 2.12 -1.26 -0.87 118.70 121.87 1pm6 s GLU 45 Ca 0.59 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1pm6 s GLU 45 Cb -0.53 -5.23 0.00 0.00 0.26 0.00 0.00 34.13 28.63 1pm6 s GLU 45 CO 0.58 -2.99 0.00 0.43 -0.54 0.00 0.00 175.26 172.73 1pm6 n SER 46 N 11.90 0.00 -4.67 -1.70 7.64 -1.26 -4.99 113.62 120.53 1pm6 n SER 46 Ca 0.40 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.80 1pm6 n SER 46 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pm6 n ALA 47 N 0.00 1.09 -2.11 -0.43 0.00 -0.05 -4.77 120.51 114.25 1pm6 n ALA 47 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1pm6 n ALA 47 Cb 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 16.94 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 2.29 0.23 -0.61 0.00 -7.23 -0.87 -4.93 120.40 109.29 1pm6 s VAL 48 Ca 0.85 -1.84 -0.27 0.00 -1.81 0.00 0.00 61.98 58.91 1pm6 s VAL 48 Cb -0.69 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1pm6 s VAL 48 CO 0.44 -0.88 1.60 -0.54 -0.31 0.00 0.00 175.10 175.42 1pm6 s LYS 49 N -3.94 2.99 -0.38 4.82 3.01 -1.26 -1.31 119.74 123.68 1pm6 s LYS 49 Ca 0.11 0.43 -0.26 0.00 -1.01 0.00 0.00 55.97 55.25 1pm6 s LYS 49 Cb 0.08 -4.25 0.02 0.00 -1.01 0.00 0.00 37.83 32.66 1pm6 s LYS 49 CO -0.07 -2.32 0.93 0.54 0.51 0.00 0.00 175.35 174.94 1pm6 s VAL 50 N 7.34 4.57 0.20 3.17 0.11 -0.55 -4.92 120.40 130.31 1pm6 s VAL 50 Ca 0.57 1.17 -0.03 0.00 -2.93 0.00 0.00 61.98 60.76 1pm6 s VAL 50 Cb -0.12 -4.35 -0.03 0.00 -1.53 0.00 0.00 36.38 30.35 1pm6 s VAL 50 CO 0.22 -0.57 0.18 1.51 -3.33 0.00 0.00 175.10 173.10 1pm6 s ASP 51 N 1.91 0.13 -1.22 3.54 -4.77 -1.26 -4.61 116.67 110.39 1pm6 s ASP 51 Ca 0.38 -1.29 -0.19 0.00 -3.30 0.00 0.00 52.55 48.16 1pm6 s ASP 51 Cb -0.12 0.40 0.08 0.00 -1.09 0.00 0.00 42.92 42.19 1pm6 s ASP 51 CO 0.19 -0.87 1.64 -0.22 0.70 0.00 0.00 175.17 176.61 1pm6 s LEU 52 N -3.12 3.91 -0.15 2.11 0.20 -1.26 -4.91 118.68 115.47 1pm6 s LEU 52 Ca 0.34 -2.28 -0.05 0.00 0.69 0.00 0.00 54.13 52.83 1pm6 s LEU 52 Cb 0.06 -2.56 0.07 0.00 -0.43 0.00 0.00 46.19 43.33 1pm6 s LEU 52 CO 0.10 -1.20 0.31 0.54 -0.29 0.00 0.00 176.35 175.81 1pm6 s ASN 53 N 4.24 0.13 -0.40 3.68 4.22 -1.26 -5.11 114.94 120.45 1pm6 s ASN 53 Ca 0.51 0.70 0.04 0.00 -2.14 0.00 0.00 52.86 51.97 1pm6 s ASN 53 Cb 0.02 0.84 0.16 0.00 1.28 0.00 0.00 41.25 43.56 1pm6 s ASN 53 CO 0.03 -0.23 0.44 -0.60 -2.04 0.00 0.00 177.10 174.69 1pm6 s ARG 54 N 2.35 0.74 -0.03 3.55 3.52 -1.26 -5.08 118.95 122.75 1pm6 s ARG 54 Ca -0.01 -1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 54.42 1pm6 s ARG 54 Cb -0.12 -0.66 -0.12 0.00 -1.56 0.00 0.00 34.95 32.50 1pm6 s ARG 54 CO -0.10 -1.24 0.78 -1.00 -0.81 0.00 0.00 175.30 172.94 1pm6 h PRO 55 N 6.64 -0.44 -2.69 5.12 0.13 -2.04 -3.47 132.00 135.23 1pm6 h PRO 55 Ca 0.08 0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 1pm6 h PRO 55 Cb 1.06 0.10 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 1pm6 h PRO 55 CO 0.19 -0.17 -0.19 0.54 -0.23 0.00 0.00 178.00 178.14 1pm6 s VAL 56 N -3.55 0.01 0.06 1.56 0.11 -1.26 -5.17 120.40 112.17 1pm6 s VAL 56 Ca -0.10 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.58 1pm6 s VAL 56 Cb 0.01 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1pm6 s VAL 56 CO 0.35 -0.05 0.89 0.28 -3.33 0.00 0.00 175.10 173.24 1pm6 s THR 57 N -0.16 4.66 -0.21 5.04 -1.32 -1.26 -5.07 115.64 117.32 1pm6 s THR 57 Ca -0.03 1.90 -0.11 0.00 -1.21 0.00 0.00 61.69 62.24 1pm6 s THR 57 Cb -0.03 -4.24 -0.05 0.00 -1.51 0.00 0.00 72.50 66.66 1pm6 s THR 57 CO 0.02 0.30 0.19 -0.83 -2.21 0.00 0.00 174.62 172.09 1pm6 s GLY 58 N 0.18 2.05 0.05 6.08 0.00 -1.26 -5.10 107.32 109.31 1pm6 s GLY 58 Ca 0.45 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1pm6 s GLY 58 CO 0.27 0.35 -0.04 -0.45 0.00 0.00 0.00 173.10 173.22 1pm6 s SER 59 N 0.72 0.56 -0.06 1.64 0.15 -1.26 -5.17 113.70 110.29 1pm6 s SER 59 Ca 0.10 -0.75 0.02 0.00 0.70 0.00 0.00 55.95 56.01 1pm6 s SER 59 Cb -0.13 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1pm6 s SER 59 CO 0.02 -0.41 -0.09 -0.22 1.20 0.00 0.00 173.24 173.75 1pm6 s LEU 60 N -2.21 1.47 -0.06 3.45 0.20 -1.26 -5.15 118.68 115.13 1pm6 s LEU 60 Ca -0.03 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.60 1pm6 s LEU 60 Cb -0.02 -0.66 -0.00 0.00 -0.43 0.00 0.00 46.19 45.08 1pm6 s LEU 60 CO -0.04 -0.02 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.60 1pm6 s LEU 61 N 0.85 1.92 -0.10 -0.68 2.96 -1.26 -5.15 118.68 117.21 1pm6 s LEU 61 Ca -0.12 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1pm6 s LEU 61 Cb -0.15 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1pm6 s LEU 61 CO 0.01 0.14 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.43 1pm6 s LYS 62 N 0.18 3.13 -0.10 1.98 2.47 -1.26 -5.13 119.74 121.01 1pm6 s LYS 62 Ca -0.09 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 53.88 1pm6 s LYS 62 Cb -0.14 -2.81 0.02 0.00 -1.46 0.00 0.00 37.83 33.45 1pm6 s LYS 62 CO 0.04 0.59 -0.08 0.50 0.16 0.00 0.00 175.35 176.56 1pm6 s ARG 63 N -0.58 1.53 0.30 4.03 3.00 -1.26 -5.15 118.95 120.82 1pm6 s ARG 63 Ca 0.09 -0.27 -0.25 0.00 -1.00 0.00 0.00 55.73 54.31 1pm6 s ARG 63 Cb -0.12 -1.53 -0.09 0.00 0.00 0.00 0.00 34.95 33.21 1pm6 s ARG 63 CO 0.02 -0.21 0.89 -1.50 0.00 0.00 0.00 175.30 174.50 1pm6 s ILE 64 N 1.50 4.30 -0.13 4.11 1.10 -1.26 -5.09 121.20 125.73 1pm6 s ILE 64 Ca 0.01 1.70 0.01 0.00 -0.51 0.00 0.00 60.65 61.86 1pm6 s ILE 64 Cb -0.13 -3.98 0.02 0.00 0.15 0.00 0.00 42.46 38.52 1pm6 s ILE 64 CO -0.06 0.17 -0.14 0.00 -2.11 0.00 0.00 174.94 172.80 1pm6 s ARG 65 N -2.01 2.15 0.47 3.50 1.70 -1.26 -5.15 118.95 118.34 1pm6 s ARG 65 Ca 0.48 -0.51 -0.12 0.00 -0.47 0.00 0.00 55.73 55.11 1pm6 s ARG 65 Cb -0.18 -1.93 -0.06 0.00 -0.57 0.00 0.00 34.95 32.21 1pm6 s ARG 65 CO 0.23 -0.16 0.86 0.54 -1.08 0.00 0.00 175.30 175.69 1pm6 s ASN 66 N 1.30 6.48 -0.06 -2.89 2.20 -1.26 -5.12 114.94 115.60 1pm6 s ASN 66 Ca -0.00 1.26 -0.17 0.00 -0.94 0.00 0.00 52.86 53.00 1pm6 s ASN 66 Cb -0.14 -2.38 0.03 0.00 -2.00 0.00 0.00 41.25 36.77 1pm6 s ASN 66 CO -0.06 -0.53 0.39 -0.83 -2.94 0.00 0.00 177.10 173.14 1pm6 s GLY 67 N -3.37 -0.26 -0.08 0.45 0.00 -1.26 -5.18 107.32 97.62 1pm6 s GLY 67 Ca 0.53 0.70 -0.06 0.00 0.00 0.00 0.00 44.72 45.89 1pm6 s GLY 67 CO 0.36 0.48 0.20 1.25 0.00 0.00 0.00 173.10 175.38 1pm6 s LYS 68 N -0.91 0.19 0.45 2.90 2.36 -1.26 -5.17 119.74 118.30 1pm6 s LYS 68 Ca -0.10 0.37 -0.22 0.00 -2.55 0.00 0.00 55.97 53.48 1pm6 s LYS 68 Cb -0.04 -0.02 -0.08 0.00 -1.05 0.00 0.00 37.83 36.64 1pm6 s LYS 68 CO 0.04 -0.10 1.06 -1.59 1.55 0.00 0.00 175.35 176.32 1pm6 s LYS 69 N 0.69 3.93 -0.06 4.03 -2.85 -1.26 -5.09 119.74 119.13 1pm6 s LYS 69 Ca -0.05 1.49 0.06 0.00 -1.00 0.00 0.00 55.97 56.47 1pm6 s LYS 69 Cb -0.06 -2.32 -0.01 0.00 -2.06 0.00 0.00 37.83 33.38 1pm6 s LYS 69 CO -0.04 -0.34 -0.25 0.00 0.10 0.00 0.00 175.35 174.83 1pm6 s ALA 70 N -1.78 2.12 0.00 0.59 0.00 -1.26 -5.09 121.76 116.35 1pm6 s ALA 70 Ca 0.63 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1pm6 s ALA 70 Cb -0.21 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1pm6 s ALA 70 CO 0.25 0.41 0.00 1.17 0.00 0.00 0.00 175.76 177.59 1pm6 n LYS 71 N 2.95 0.00 0.00 0.00 4.81 -1.26 -5.39 118.16 119.27 1pm6 n LYS 71 Ca -0.17 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1pm6 n LYS 71 Cb 0.52 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1pm6 n LYS 71 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02