#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 1.59 -0.05 2.03 2.02 -1.26 -3.28 117.35 118.40 1pm6 s TYR 2 Ca 0.00 -0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 56.08 1pm6 s TYR 2 Cb 0.00 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1pm6 s TYR 2 CO 0.00 0.27 0.12 -1.17 -1.57 0.00 0.00 175.55 173.20 1pm6 s LEU 3 N -3.13 0.80 0.61 -1.29 2.96 0.71 -4.72 118.68 114.62 1pm6 s LEU 3 Ca 0.19 0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 54.15 1pm6 s LEU 3 Cb -0.01 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.91 1pm6 s LEU 3 CO 0.05 -0.15 1.28 -0.89 -1.32 0.00 0.00 176.35 175.33 1pm6 s THR 4 N 1.16 2.20 0.15 3.68 2.01 -1.26 -0.54 115.64 123.05 1pm6 s THR 4 Ca -0.09 0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 1pm6 s THR 4 Cb -0.12 -3.06 0.04 0.00 0.01 0.00 0.00 72.50 69.37 1pm6 s THR 4 CO -0.05 -0.02 1.62 0.25 -0.69 0.00 0.00 174.62 175.72 1pm6 h LEU 5 N 0.82 -0.91 -1.05 4.42 6.46 -1.72 0.17 115.31 123.50 1pm6 h LEU 5 Ca -0.51 0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.45 1pm6 h LEU 5 Cb 1.32 0.43 -0.06 0.00 -0.73 0.00 0.00 40.66 41.62 1pm6 h LEU 5 CO 0.54 -0.30 0.64 -0.61 -0.62 0.00 0.00 178.44 178.09 1pm6 h GLN 6 N -0.27 1.18 -0.47 1.25 4.15 -1.93 -2.17 115.11 116.86 1pm6 h GLN 6 Ca 0.15 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1pm6 h GLN 6 Cb 0.50 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1pm6 h GLN 6 CO -0.44 0.78 0.18 0.93 -1.93 0.00 0.00 178.83 178.35 1pm6 h GLU 7 N 1.22 0.71 -0.09 1.69 5.08 -1.77 -1.10 114.58 120.31 1pm6 h GLU 7 Ca 0.39 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1pm6 h GLU 7 Cb 0.03 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 1pm6 h GLU 7 CO -0.12 0.65 -0.35 2.35 -1.00 0.00 0.00 179.01 180.53 1pm6 h TRP 8 N 0.62 -0.97 -0.91 4.33 7.01 -0.49 -0.47 115.95 125.08 1pm6 h TRP 8 Ca 0.16 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.22 1pm6 h TRP 8 Cb 0.21 0.44 -0.05 0.00 -2.10 0.00 0.00 29.16 27.65 1pm6 h TRP 8 CO 0.00 -0.43 0.59 -0.97 -2.79 0.00 0.00 178.44 174.85 1pm6 h ASN 9 N -0.45 1.00 0.22 2.65 -1.24 -1.45 -2.77 115.58 113.55 1pm6 h ASN 9 Ca 0.08 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1pm6 h ASN 9 Cb 0.58 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1pm6 h ASN 9 CO -0.34 0.70 -0.17 0.00 -1.29 0.00 0.00 177.43 176.33 1pm6 h ALA 10 N 1.36 1.59 0.00 1.57 0.00 -1.06 -2.88 119.26 119.84 1pm6 h ALA 10 Ca 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pm6 h ALA 10 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pm6 h ALA 10 CO -0.11 0.21 -0.10 0.00 0.00 0.00 0.00 179.25 179.25 1pm6 h ARG 11 N 0.00 0.00 -7.18 0.00 -0.00 -0.80 -3.43 114.38 102.97 1pm6 h ARG 11 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.96 1pm6 h ARG 11 Cb 0.33 0.00 0.13 0.00 0.00 0.00 0.00 29.97 30.43 1pm6 h ARG 11 CO 0.02 0.10 0.39 -0.65 0.00 0.00 0.00 179.97 179.83 1pm6 s GLN 12 N -3.73 2.45 -0.27 0.04 1.11 -1.09 -4.97 119.66 113.21 1pm6 s GLN 12 Ca 0.00 1.62 -0.28 0.00 0.01 0.00 0.00 55.36 56.72 1pm6 s GLN 12 Cb 0.10 -1.89 -0.04 0.00 -1.01 0.00 0.00 33.01 30.17 1pm6 s GLN 12 CO 0.58 -1.56 2.12 1.03 0.01 0.00 0.00 175.29 177.46 1pm6 s ARG 13 N -3.93 3.11 0.09 2.91 0.52 -1.26 -4.37 118.95 116.01 1pm6 s ARG 13 Ca 0.72 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1pm6 s ARG 13 Cb -0.26 -4.34 0.00 0.00 0.52 0.00 0.00 34.95 30.87 1pm6 s ARG 13 CO 0.43 -2.13 0.00 -2.13 0.02 0.00 0.00 175.30 171.49 1pm6 n ARG 14 N 8.70 -1.43 -1.91 3.54 0.63 -1.26 -4.85 116.66 120.08 1pm6 n ARG 14 Ca 0.28 1.14 -0.38 0.00 -0.92 0.00 0.00 57.85 57.98 1pm6 n ARG 14 Cb 0.46 -1.12 -0.03 0.00 0.45 0.00 0.00 32.46 32.22 1pm6 n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1pm6 s PRO 15 N -3.14 2.49 1.00 -0.14 0.04 -1.26 -4.84 135.00 129.13 1pm6 s PRO 15 Ca 0.00 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.74 1pm6 s PRO 15 Cb 0.00 -4.44 0.19 0.00 0.04 0.00 0.00 34.50 30.29 1pm6 s PRO 15 CO 0.00 -2.88 1.09 1.03 0.04 0.00 0.00 177.00 176.28 1pm6 s ARG 16 N 7.36 0.45 0.08 4.56 0.52 -1.26 -4.99 118.95 125.68 1pm6 s ARG 16 Ca 0.75 0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 56.21 1pm6 s ARG 16 Cb -0.14 -1.74 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 1pm6 s ARG 16 CO 0.22 -2.72 1.66 -1.12 0.02 0.00 0.00 175.30 173.36 1pm6 s SER 17 N -3.43 6.59 0.56 0.23 0.01 -1.26 -4.94 113.70 111.47 1pm6 s SER 17 Ca 0.65 2.51 0.26 0.00 1.31 0.00 0.00 55.95 60.68 1pm6 s SER 17 Cb -0.19 -2.56 1.51 0.00 0.21 0.00 0.00 66.02 64.99 1pm6 s SER 17 CO 0.58 -0.89 2.05 -0.07 0.41 0.00 0.00 173.24 175.32 1pm6 h LEU 18 N 8.48 0.00 -0.91 2.44 4.07 -2.00 -0.80 115.31 126.58 1pm6 h LEU 18 Ca -0.43 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.62 1pm6 h LEU 18 Cb 1.20 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.87 1pm6 h LEU 18 CO 0.93 0.00 0.56 -0.33 -1.08 0.00 0.00 178.44 178.52 1pm6 h GLU 19 N 0.00 0.93 -0.14 1.13 5.08 -1.98 -0.33 114.58 119.27 1pm6 h GLU 19 Ca 0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1pm6 h GLU 19 Cb 0.66 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1pm6 h GLU 19 CO -0.00 0.62 0.06 1.15 -1.00 0.00 0.00 179.01 179.83 1pm6 h THR 20 N 0.96 1.15 -0.66 1.13 2.02 -1.53 -0.57 112.91 115.41 1pm6 h THR 20 Ca 0.42 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1pm6 h THR 20 Cb 0.31 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1pm6 h THR 20 CO -0.22 0.14 0.36 0.58 0.37 0.00 0.00 175.52 176.74 1pm6 h VAL 21 N 0.07 1.21 -0.65 3.16 2.07 -1.55 -0.90 116.25 119.66 1pm6 h VAL 21 Ca 0.05 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1pm6 h VAL 21 Cb 0.16 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1pm6 h VAL 21 CO -0.00 0.23 0.33 -0.09 0.02 0.00 0.00 177.57 178.06 1pm6 h ARG 22 N 0.91 0.57 -0.67 1.57 9.65 -1.05 -0.81 114.38 124.54 1pm6 h ARG 22 Ca 0.23 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.10 1pm6 h ARG 22 Cb 0.05 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 1pm6 h ARG 22 CO -0.04 0.38 0.43 0.00 2.80 0.00 0.00 179.97 183.54 1pm6 h ARG 23 N 0.59 0.84 -0.90 0.20 3.08 -0.94 -0.42 114.38 116.83 1pm6 h ARG 23 Ca 0.31 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.35 1pm6 h ARG 23 Cb 0.28 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1pm6 h ARG 23 CO -0.23 0.55 0.58 -1.49 -1.07 0.00 0.00 179.97 178.31 1pm6 h TRP 24 N 0.86 1.08 -0.02 3.04 6.55 -0.93 -0.18 115.95 126.35 1pm6 h TRP 24 Ca 0.26 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.13 1pm6 h TRP 24 Cb -0.04 -0.36 -0.00 0.00 -0.86 0.00 0.00 29.16 27.91 1pm6 h TRP 24 CO -0.04 0.60 0.01 0.28 -1.05 0.00 0.00 178.44 178.24 1pm6 h VAL 25 N 1.10 1.19 -0.91 1.49 2.07 -1.05 -3.01 116.25 117.13 1pm6 h VAL 25 Ca 0.37 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.44 1pm6 h VAL 25 Cb 0.05 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1pm6 h VAL 25 CO -0.13 0.15 0.59 0.03 0.02 0.00 0.00 177.57 178.22 1pm6 h ARG 26 N -0.19 0.85 0.00 1.57 2.47 -1.03 -1.41 114.38 116.65 1pm6 h ARG 26 Ca 0.01 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pm6 h ARG 26 Cb 0.23 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1pm6 h ARG 26 CO 0.00 0.56 0.04 1.49 0.56 0.00 0.00 179.97 182.63 1pm6 h GLU 27 N 0.88 0.00 -5.56 0.04 4.57 -1.02 -3.48 114.58 110.01 1pm6 h GLU 27 Ca 0.43 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.29 1pm6 h GLU 27 Cb 0.47 0.00 0.16 0.00 -0.16 0.00 0.00 28.75 29.22 1pm6 h GLU 27 CO -0.20 0.00 -0.74 0.43 -1.18 0.00 0.00 179.01 177.32 1pm6 n SER 28 N -2.91 -2.24 -2.38 1.04 7.64 -0.53 -5.01 113.62 109.24 1pm6 n SER 28 Ca -0.03 -0.60 -0.16 0.00 1.01 0.00 0.00 58.87 59.09 1pm6 n SER 28 Cb 0.10 -5.00 0.03 0.00 -1.01 0.00 0.00 64.21 58.33 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 -4.08 2.84 -4.07 1.43 1.74 -1.21 -5.04 116.66 108.27 1pm6 n ARG 29 Ca -0.27 -3.95 -0.25 0.00 -0.77 0.00 0.00 57.85 52.61 1pm6 n ARG 29 Cb 0.66 -1.99 -0.17 0.00 -1.02 0.00 0.00 32.46 29.94 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 -4.38 0.92 0.00 0.55 1.01 -1.26 -1.11 121.20 116.93 1pm6 s ILE 30 Ca 0.42 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1pm6 s ILE 30 Cb 0.39 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 1pm6 s ILE 30 CO -0.02 0.34 -0.08 -0.36 0.00 0.00 0.00 174.94 174.82 1pm6 s PHE 31 N 1.42 0.70 0.52 3.97 0.40 -0.63 -4.01 117.98 120.34 1pm6 s PHE 31 Ca -0.01 -0.18 -0.20 0.00 -0.60 0.00 0.00 56.93 55.94 1pm6 s PHE 31 Cb -0.13 -0.44 -0.06 0.00 0.51 0.00 0.00 43.02 42.89 1pm6 s PHE 31 CO -0.04 -0.02 1.12 -1.25 0.70 0.00 0.00 175.22 175.73 1pm6 s PRO 32 N -0.39 3.48 0.48 0.24 0.04 -1.26 -2.10 135.00 135.50 1pm6 s PRO 32 Ca 0.01 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 1pm6 s PRO 32 Cb -0.04 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1pm6 s PRO 32 CO -0.00 -0.74 1.15 -1.25 0.04 0.00 0.00 177.00 176.20 1pm6 s PRO 33 N -3.21 3.65 0.31 0.56 0.04 -1.26 -4.52 135.00 130.57 1pm6 s PRO 33 Ca 0.71 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 1pm6 s PRO 33 Cb -0.23 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 1pm6 s PRO 33 CO 0.26 -0.62 0.95 -1.25 0.04 0.00 0.00 177.00 176.38 1pm6 s PRO 34 N -2.88 4.64 -0.25 0.56 0.04 -1.26 -4.82 135.00 131.03 1pm6 s PRO 34 Ca 0.66 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1pm6 s PRO 34 Cb -0.27 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1pm6 s PRO 34 CO 0.32 0.33 0.45 0.08 0.04 0.00 0.00 177.00 178.22 1pm6 s VAL 35 N -1.52 5.13 -0.09 -0.36 1.01 -0.21 -4.85 120.40 119.50 1pm6 s VAL 35 Ca 0.48 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 1pm6 s VAL 35 Cb -0.20 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1pm6 s VAL 35 CO 0.26 0.14 1.65 -1.59 0.00 0.00 0.00 175.10 175.56 1pm6 s LYS 36 N 2.02 4.09 -0.02 2.72 -2.85 -1.26 -0.53 119.74 123.91 1pm6 s LYS 36 Ca 0.19 2.08 0.08 0.00 -1.00 0.00 0.00 55.97 57.33 1pm6 s LYS 36 Cb -0.16 -4.00 -0.23 0.00 -2.06 0.00 0.00 37.83 31.38 1pm6 s LYS 36 CO 0.09 -0.95 0.76 0.22 0.10 0.00 0.00 175.35 175.58 1pm6 h ASP 37 N 9.84 0.08 0.00 0.03 3.58 -1.79 -3.48 116.42 124.68 1pm6 h ASP 37 Ca -0.38 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1pm6 h ASP 37 Cb 1.17 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1pm6 h ASP 37 CO 0.96 1.13 0.00 0.61 -2.88 0.00 0.00 179.24 179.06 1pm6 n GLY 38 N 1.57 -1.37 0.07 -0.78 0.00 -1.26 -4.96 105.19 98.46 1pm6 n GLY 38 Ca -0.15 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 1pm6 n GLY 38 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pm6 h ARG 39 N 0.00 0.00 -6.06 1.61 3.08 -2.02 -3.49 114.38 107.50 1pm6 h ARG 39 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1pm6 h ARG 39 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1pm6 h ARG 39 CO 0.00 0.57 -0.55 -1.21 -1.07 0.00 0.00 179.97 177.71 1pm6 s GLU 40 N -2.07 2.29 -0.09 0.04 2.02 -1.26 -5.13 118.70 114.48 1pm6 s GLU 40 Ca -0.15 -1.63 -0.18 0.00 0.02 0.00 0.00 54.97 53.03 1pm6 s GLU 40 Cb 0.01 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 1pm6 s GLU 40 CO 0.41 0.09 0.47 0.71 0.02 0.00 0.00 175.26 176.96 1pm6 s TYR 41 N -2.47 3.55 -0.61 1.61 1.51 -1.26 -2.09 117.35 117.59 1pm6 s TYR 41 Ca 0.37 0.92 -0.22 0.00 -1.01 0.00 0.00 57.07 57.13 1pm6 s TYR 41 Cb -0.01 -2.52 0.06 0.00 -0.11 0.00 0.00 41.96 39.39 1pm6 s TYR 41 CO 0.22 0.25 0.91 -0.51 -1.11 0.00 0.00 175.55 175.30 1pm6 s LEU 42 N 0.33 4.44 0.82 -1.29 1.43 0.31 -1.72 118.68 122.99 1pm6 s LEU 42 Ca 0.26 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1pm6 s LEU 42 Cb -0.15 -2.51 0.08 0.00 0.03 0.00 0.00 46.19 43.64 1pm6 s LEU 42 CO 0.11 -1.31 1.09 -0.36 0.23 0.00 0.00 176.35 176.11 1pm6 s PHE 43 N 3.80 2.68 0.38 0.29 0.40 0.29 -1.05 117.98 124.78 1pm6 s PHE 43 Ca 0.23 1.22 -0.22 0.00 -0.60 0.00 0.00 56.93 57.56 1pm6 s PHE 43 Cb -0.17 -3.12 -0.10 0.00 0.51 0.00 0.00 43.02 40.14 1pm6 s PHE 43 CO 0.12 -1.93 0.91 -1.58 0.70 0.00 0.00 175.22 173.45 1pm6 s HIS 44 N -3.07 3.43 0.25 0.36 2.46 -1.26 -0.21 115.29 117.26 1pm6 s HIS 44 Ca 0.61 1.60 -0.04 0.00 0.47 0.00 0.00 55.06 57.71 1pm6 s HIS 44 Cb -0.16 -2.82 0.39 0.00 -0.13 0.00 0.00 32.58 29.86 1pm6 s HIS 44 CO 0.55 0.02 1.84 0.93 -2.47 0.00 0.00 174.74 175.61 1pm6 h GLU 45 N 2.36 0.94 -1.66 2.88 5.08 -1.83 -1.74 114.58 120.60 1pm6 h GLU 45 Ca -0.48 -0.06 -0.51 0.00 -1.00 0.00 0.00 59.36 57.31 1pm6 h GLU 45 Cb 1.18 -0.21 -0.20 0.00 0.50 0.00 0.00 28.75 30.02 1pm6 h GLU 45 CO 0.63 0.62 0.58 0.45 -1.00 0.00 0.00 179.01 180.29 1pm6 n SER 46 N -4.63 6.85 -4.69 1.42 2.88 -1.26 -4.98 113.62 109.21 1pm6 n SER 46 Ca 0.14 -3.35 -0.40 0.00 -1.33 0.00 0.00 58.87 53.93 1pm6 n SER 46 Cb 0.23 -1.11 -0.05 0.00 -0.75 0.00 0.00 64.21 62.53 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 -2.46 3.43 0.11 -1.46 0.00 -0.66 -4.49 121.76 116.24 1pm6 s ALA 47 Ca 0.50 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1pm6 s ALA 47 Cb 0.37 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1pm6 s ALA 47 CO -0.14 -0.34 -0.09 0.14 0.00 0.00 0.00 175.76 175.33 1pm6 s VAL 48 N 1.39 0.96 -0.13 0.00 -7.23 -0.89 -4.94 120.40 109.56 1pm6 s VAL 48 Ca 0.36 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 1pm6 s VAL 48 Cb -0.17 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1pm6 s VAL 48 CO 0.15 -0.69 1.17 -1.59 -0.31 0.00 0.00 175.10 173.82 1pm6 s LYS 49 N -3.35 4.31 0.49 4.82 0.00 -1.26 -1.61 119.74 123.14 1pm6 s LYS 49 Ca 0.11 1.58 -0.21 0.00 0.00 0.00 0.00 55.97 57.45 1pm6 s LYS 49 Cb 0.01 -3.64 -0.08 0.00 0.00 0.00 0.00 37.83 34.12 1pm6 s LYS 49 CO -0.01 -0.55 1.07 0.14 0.00 0.00 0.00 175.35 176.01 1pm6 s VAL 50 N 2.78 3.59 0.00 1.79 -7.23 -0.27 -3.60 120.40 117.46 1pm6 s VAL 50 Ca 0.52 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.72 1pm6 s VAL 50 Cb -0.21 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1pm6 s VAL 50 CO 0.16 -0.18 0.00 -0.67 -0.31 0.00 0.00 175.10 174.11 1pm6 n ASP 51 N -0.91 0.00 -3.98 4.85 -0.08 -1.26 -4.82 116.55 110.35 1pm6 n ASP 51 Ca 0.09 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.94 1pm6 n ASP 51 Cb 0.51 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.98 1pm6 n ASP 51 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1pm6 n LEU 52 N 0.00 6.47 -3.68 -2.67 7.94 -1.24 -4.99 117.00 118.84 1pm6 n LEU 52 Ca 0.00 -5.09 -0.10 0.00 -1.11 0.00 0.00 56.01 49.70 1pm6 n LEU 52 Cb 0.00 -1.32 -0.11 0.00 0.53 0.00 0.00 43.42 42.52 1pm6 n LEU 52 CO 0.00 1.62 0.03 0.54 -1.11 0.00 0.00 177.39 178.47 1pm6 s ASN 53 N -1.19 -0.37 -0.33 1.96 4.22 -1.25 -4.69 114.94 113.29 1pm6 s ASN 53 Ca 0.33 0.89 -0.01 0.00 -2.14 0.00 0.00 52.86 51.92 1pm6 s ASN 53 Cb 0.06 0.92 0.13 0.00 1.28 0.00 0.00 41.25 43.64 1pm6 s ASN 53 CO 0.08 -0.21 0.18 -0.60 -2.04 0.00 0.00 177.10 174.52 1pm6 s ARG 54 N 1.82 0.45 0.00 3.55 3.00 -1.26 -5.12 118.95 121.38 1pm6 s ARG 54 Ca -0.07 -1.08 0.00 0.00 -1.00 0.00 0.00 55.73 53.58 1pm6 s ARG 54 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 34.95 33.57 1pm6 s ARG 54 CO -0.12 -1.15 0.00 -0.35 0.00 0.00 0.00 175.30 173.68 1pm6 n PRO 55 N 4.43 2.67 -2.26 5.12 -0.04 -1.26 -4.98 135.00 138.68 1pm6 n PRO 55 Ca 0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 1pm6 n PRO 55 Cb 0.39 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.82 1pm6 n PRO 55 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pm6 s VAL 56 N 0.45 3.88 -0.88 0.52 1.01 -1.26 -4.97 120.40 119.15 1pm6 s VAL 56 Ca 0.00 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 62.74 1pm6 s VAL 56 Cb 0.00 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.51 1pm6 s VAL 56 CO 0.00 -0.45 1.20 0.42 0.00 0.00 0.00 175.10 176.28 1pm6 s THR 57 N 5.05 4.31 0.08 3.92 -4.23 -1.26 -4.69 115.64 118.82 1pm6 s THR 57 Ca 0.65 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1pm6 s THR 57 Cb -0.20 -4.86 0.00 0.00 1.34 0.00 0.00 72.50 68.79 1pm6 s THR 57 CO 0.28 -1.66 0.00 0.61 -0.54 0.00 0.00 174.62 173.31 1pm6 n GLY 58 N 5.87 -0.21 3.56 3.99 0.00 -1.26 -5.06 105.19 112.08 1pm6 n GLY 58 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.43 5.76 -0.46 1.61 0.01 -1.26 -4.99 113.70 109.93 1pm6 s SER 59 Ca 0.00 0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 1pm6 s SER 59 Cb 0.00 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1pm6 s SER 59 CO 0.00 -2.05 1.04 -1.48 0.41 0.00 0.00 173.24 171.16 1pm6 s LEU 60 N 7.29 3.81 -0.28 2.44 2.34 -1.26 -5.00 118.68 128.04 1pm6 s LEU 60 Ca 0.53 0.35 -0.25 0.00 0.06 0.00 0.00 54.13 54.82 1pm6 s LEU 60 Cb -0.11 -3.39 0.11 0.00 -0.56 0.00 0.00 46.19 42.24 1pm6 s LEU 60 CO 0.20 -1.14 0.93 -1.48 -1.06 0.00 0.00 176.35 173.80 1pm6 s LEU 61 N 4.09 -0.54 -0.32 1.48 0.05 -1.26 -5.10 118.68 117.08 1pm6 s LEU 61 Ca 0.43 1.05 0.17 0.00 0.05 0.00 0.00 54.13 55.83 1pm6 s LEU 61 Cb -0.09 2.07 0.47 0.00 -2.05 0.00 0.00 46.19 46.59 1pm6 s LEU 61 CO 0.28 -0.18 1.03 2.29 -0.55 0.00 0.00 176.35 179.22 1pm6 n LYS 62 N 2.35 1.78 -1.32 1.48 2.85 -1.26 -5.12 118.16 118.92 1pm6 n LYS 62 Ca -0.13 -3.55 0.15 0.00 -1.05 0.00 0.00 58.31 53.73 1pm6 n LYS 62 Cb 0.56 -1.55 -0.09 0.00 -0.65 0.00 0.00 35.03 33.30 1pm6 n LYS 62 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pm6 n ARG 63 N -0.31 -3.08 -4.17 -1.58 1.74 -1.26 -5.04 116.66 102.97 1pm6 n ARG 63 Ca 0.15 2.52 -0.23 0.00 -0.77 0.00 0.00 57.85 59.52 1pm6 n ARG 63 Cb 0.80 -3.57 -0.06 0.00 -1.02 0.00 0.00 32.46 28.61 1pm6 n ARG 63 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1pm6 s ILE 64 N -4.24 3.59 0.12 0.55 1.10 -1.26 -5.11 121.20 115.95 1pm6 s ILE 64 Ca 0.00 -1.70 -0.31 0.00 -0.51 0.00 0.00 60.65 58.13 1pm6 s ILE 64 Cb 0.00 -3.04 -0.09 0.00 0.15 0.00 0.00 42.46 39.48 1pm6 s ILE 64 CO 0.00 -0.31 1.66 0.00 -2.11 0.00 0.00 174.94 174.19 1pm6 s ARG 65 N -3.78 4.19 -0.07 3.50 3.03 -1.26 -4.97 118.95 119.58 1pm6 s ARG 65 Ca 0.34 2.41 -0.07 0.00 2.03 0.00 0.00 55.73 60.44 1pm6 s ARG 65 Cb -0.06 -3.43 -0.02 0.00 -1.03 0.00 0.00 34.95 30.41 1pm6 s ARG 65 CO 0.22 -0.72 -0.14 0.09 -1.13 0.00 0.00 175.30 173.63 1pm6 n ASN 66 N 5.01 0.80 0.00 -2.89 3.02 -1.26 -5.16 115.26 114.78 1pm6 n ASN 66 Ca 0.16 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1pm6 n ASN 66 Cb 0.39 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1pm6 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pm6 n GLY 67 N 1.51 1.61 3.20 7.41 0.00 -1.26 -5.14 105.19 112.52 1pm6 n GLY 67 Ca -0.05 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.70 0.36 0.00 1.61 2.36 -1.26 -4.98 119.74 116.14 1pm6 s LYS 68 Ca 0.00 0.49 0.00 0.00 -2.55 0.00 0.00 55.97 53.91 1pm6 s LYS 68 Cb 0.00 0.14 0.00 0.00 -1.05 0.00 0.00 37.83 36.92 1pm6 s LYS 68 CO 0.00 -0.07 0.00 1.63 1.55 0.00 0.00 175.35 178.46 1pm6 n LYS 69 N 3.15 0.00 0.00 4.03 4.76 -1.26 -4.90 118.16 123.94 1pm6 n LYS 69 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1pm6 n LYS 69 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1pm6 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pm6 n ALA 70 N 0.00 0.00 -2.52 7.82 0.00 -1.26 -4.86 120.51 119.69 1pm6 n ALA 70 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1pm6 n ALA 70 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1pm6 n ALA 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pm6 s LYS 71 N 0.00 3.64 0.00 0.00 2.20 -1.26 -5.28 119.74 119.04 1pm6 s LYS 71 Ca 0.00 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1pm6 s LYS 71 Cb 0.00 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1pm6 s LYS 71 CO 0.00 -1.49 0.00 -1.13 -0.36 0.00 0.00 175.35 172.37