#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 3.37 -0.15 2.03 2.02 -1.26 -3.26 117.35 120.10 1pm6 s TYR 2 Ca 0.00 1.18 -0.07 0.00 -0.37 0.00 0.00 57.07 57.81 1pm6 s TYR 2 Cb 0.00 -3.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.00 1pm6 s TYR 2 CO 0.00 -1.68 0.10 -1.17 -1.57 0.00 0.00 175.55 171.23 1pm6 s LEU 3 N 0.98 4.09 0.54 -1.29 2.96 0.76 -4.87 118.68 121.85 1pm6 s LEU 3 Ca 0.60 0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 54.57 1pm6 s LEU 3 Cb -0.32 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1pm6 s LEU 3 CO 0.30 0.30 1.38 -0.89 -1.32 0.00 0.00 176.35 176.12 1pm6 s THR 4 N -0.35 2.00 0.22 3.68 2.01 -1.26 -0.33 115.64 121.60 1pm6 s THR 4 Ca 0.10 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 1pm6 s THR 4 Cb -0.12 -3.00 0.25 0.00 0.01 0.00 0.00 72.50 69.64 1pm6 s THR 4 CO 0.01 0.00 1.63 0.25 -0.69 0.00 0.00 174.62 175.82 1pm6 h LEU 5 N 1.52 -0.54 -0.46 4.42 6.46 -1.54 0.22 115.31 125.40 1pm6 h LEU 5 Ca -0.51 0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1pm6 h LEU 5 Cb 1.30 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 1pm6 h LEU 5 CO 0.57 -0.20 0.23 -0.61 -0.62 0.00 0.00 178.44 177.81 1pm6 h GLN 6 N 0.02 0.67 -0.55 1.25 -0.00 -1.93 -1.72 115.11 112.84 1pm6 h GLN 6 Ca 0.33 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.65 58.81 1pm6 h GLN 6 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 1pm6 h GLN 6 CO -0.66 0.56 0.08 1.49 0.00 0.00 0.00 178.83 180.31 1pm6 h GLU 7 N 0.61 0.88 0.44 1.69 4.57 -1.80 -1.54 114.58 119.43 1pm6 h GLU 7 Ca 0.16 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1pm6 h GLU 7 Cb 0.11 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1pm6 h GLU 7 CO -0.02 0.83 -0.49 2.35 -1.18 0.00 0.00 179.01 180.50 1pm6 h TRP 8 N 0.84 -1.36 -0.66 0.92 7.01 -0.51 -2.15 115.95 120.03 1pm6 h TRP 8 Ca 0.17 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.32 1pm6 h TRP 8 Cb 0.38 0.54 -0.10 0.00 -2.10 0.00 0.00 29.16 27.88 1pm6 h TRP 8 CO 0.02 -0.64 0.14 -0.97 -2.79 0.00 0.00 178.44 174.20 1pm6 h ASN 9 N -0.94 -0.01 -0.98 2.65 -1.24 -1.29 -1.86 115.58 111.89 1pm6 h ASN 9 Ca -0.05 0.13 0.13 0.00 0.71 0.00 0.00 56.30 57.22 1pm6 h ASN 9 Cb 0.84 0.18 -0.09 0.00 0.73 0.00 0.00 38.32 39.98 1pm6 h ASN 9 CO -0.09 -0.02 0.60 0.00 -1.29 0.00 0.00 177.43 176.63 1pm6 h ALA 10 N 1.54 1.51 -0.26 1.57 0.00 -1.27 -2.74 119.26 119.62 1pm6 h ALA 10 Ca 0.36 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pm6 h ALA 10 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pm6 h ALA 10 CO -0.46 0.14 0.00 2.89 0.00 0.00 0.00 179.25 181.83 1pm6 n ARG 11 N -4.68 1.80 -3.01 0.00 1.85 -0.81 -4.33 116.66 107.49 1pm6 n ARG 11 Ca 0.19 -1.22 -0.43 0.00 -1.00 0.00 0.00 57.85 55.40 1pm6 n ARG 11 Cb 0.40 -1.35 0.01 0.00 -1.05 0.00 0.00 32.46 30.46 1pm6 n ARG 11 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1pm6 n GLN 12 N 0.46 4.48 0.00 2.89 -0.06 -0.75 -4.88 117.38 119.52 1pm6 n GLN 12 Ca 0.15 -4.56 0.00 0.00 -2.00 0.00 0.00 57.00 50.59 1pm6 n GLN 12 Cb 0.33 -2.51 0.00 0.00 -4.06 0.00 0.00 30.24 24.00 1pm6 n GLN 12 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1pm6 n ARG 13 N 1.31 0.00 -4.11 3.69 1.74 -1.26 -4.75 116.66 113.27 1pm6 n ARG 13 Ca 0.26 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.25 1pm6 n ARG 13 Cb 0.33 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.67 1pm6 n ARG 13 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pm6 s ARG 14 N 0.00 0.67 -0.99 5.56 0.52 -1.26 -5.09 118.95 118.36 1pm6 s ARG 14 Ca 0.00 -1.17 -0.24 0.00 -0.52 0.00 0.00 55.73 53.80 1pm6 s ARG 14 Cb 0.00 -0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.36 1pm6 s ARG 14 CO 0.00 -0.05 1.99 -1.25 0.02 0.00 0.00 175.30 176.01 1pm6 s PRO 15 N -3.40 2.39 1.11 3.54 0.04 -1.24 -4.68 135.00 132.76 1pm6 s PRO 15 Ca 0.05 -0.51 -0.19 0.00 0.04 0.00 0.00 61.00 60.39 1pm6 s PRO 15 Cb 0.03 -5.09 0.26 0.00 0.04 0.00 0.00 34.50 29.74 1pm6 s PRO 15 CO -0.06 -3.76 1.25 1.03 0.04 0.00 0.00 177.00 175.50 1pm6 s ARG 16 N 7.06 -0.53 0.13 4.56 0.52 -1.26 -5.00 118.95 124.42 1pm6 s ARG 16 Ca 0.72 -0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 55.24 1pm6 s ARG 16 Cb -0.05 -1.71 -0.09 0.00 0.52 0.00 0.00 34.95 33.62 1pm6 s ARG 16 CO 0.05 -3.20 1.61 -1.12 0.02 0.00 0.00 175.30 172.66 1pm6 s SER 17 N -4.53 6.59 0.53 0.23 0.01 -1.26 -4.95 113.70 110.32 1pm6 s SER 17 Ca 0.75 2.57 0.18 0.00 1.31 0.00 0.00 55.95 60.76 1pm6 s SER 17 Cb -0.05 -2.58 1.33 0.00 0.21 0.00 0.00 66.02 64.94 1pm6 s SER 17 CO 0.55 -0.85 2.14 -0.07 0.41 0.00 0.00 173.24 175.41 1pm6 h LEU 18 N 7.55 0.00 -0.98 2.44 3.38 -2.00 -1.08 115.31 124.63 1pm6 h LEU 18 Ca -0.43 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1pm6 h LEU 18 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 1pm6 h LEU 18 CO 0.92 0.00 0.62 -0.33 0.09 0.00 0.00 178.44 179.74 1pm6 h GLU 19 N 0.00 1.05 -0.13 1.13 5.08 -1.98 -0.22 114.58 119.52 1pm6 h GLU 19 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1pm6 h GLU 19 Cb 0.12 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1pm6 h GLU 19 CO -0.00 0.70 0.04 1.15 -1.00 0.00 0.00 179.01 179.90 1pm6 h THR 20 N 1.08 1.17 -0.63 1.13 2.02 -1.59 -0.59 112.91 115.51 1pm6 h THR 20 Ca 0.44 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1pm6 h THR 20 Cb 0.27 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1pm6 h THR 20 CO -0.20 0.16 0.38 0.58 0.37 0.00 0.00 175.52 176.81 1pm6 h VAL 21 N 0.03 1.06 -0.77 3.16 2.07 -1.50 -0.97 116.25 119.32 1pm6 h VAL 21 Ca 0.04 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1pm6 h VAL 21 Cb 0.21 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1pm6 h VAL 21 CO -0.00 0.14 0.45 -0.09 0.02 0.00 0.00 177.57 178.08 1pm6 h ARG 22 N 0.74 0.78 -0.80 1.57 9.65 -1.02 -1.16 114.38 124.13 1pm6 h ARG 22 Ca 0.26 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1pm6 h ARG 22 Cb 0.05 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 1pm6 h ARG 22 CO -0.12 0.51 0.50 0.00 2.80 0.00 0.00 179.97 183.67 1pm6 h ARG 23 N 0.80 1.07 -0.90 0.20 3.08 -0.87 -0.05 114.38 117.71 1pm6 h ARG 23 Ca 0.35 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1pm6 h ARG 23 Cb 0.24 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1pm6 h ARG 23 CO -0.20 0.74 0.59 -1.49 -1.07 0.00 0.00 179.97 178.54 1pm6 h TRP 24 N 1.09 1.11 -0.01 3.04 6.55 -0.93 -0.48 115.95 126.32 1pm6 h TRP 24 Ca 0.29 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.15 1pm6 h TRP 24 Cb -0.08 -0.37 -0.00 0.00 -0.86 0.00 0.00 29.16 27.85 1pm6 h TRP 24 CO -0.01 0.67 -0.01 0.28 -1.05 0.00 0.00 178.44 178.33 1pm6 h VAL 25 N 1.17 1.33 -0.79 1.49 2.07 -1.13 -2.76 116.25 117.63 1pm6 h VAL 25 Ca 0.34 -0.98 0.17 0.00 0.82 0.00 0.00 66.70 67.05 1pm6 h VAL 25 Cb -0.06 1.97 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 1pm6 h VAL 25 CO -0.09 0.26 0.27 0.03 0.02 0.00 0.00 177.57 178.06 1pm6 h ARG 26 N -0.38 0.34 0.00 1.57 2.47 -0.98 -1.71 114.38 115.69 1pm6 h ARG 26 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1pm6 h ARG 26 Cb 0.43 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1pm6 h ARG 26 CO 0.00 0.23 0.00 -1.91 0.56 0.00 0.00 179.97 178.85 1pm6 n GLU 27 N -5.08 0.05 -3.49 0.04 4.07 -0.19 -4.98 120.64 111.05 1pm6 n GLU 27 Ca 0.17 0.21 -0.19 0.00 -0.06 0.00 0.00 57.16 57.28 1pm6 n GLU 27 Cb 0.51 -1.50 0.06 0.00 -0.06 0.00 0.00 31.44 30.45 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pm6 n SER 28 N -1.46 -3.28 -2.34 4.31 7.64 -0.65 -5.00 113.62 112.85 1pm6 n SER 28 Ca 0.05 -0.74 -0.18 0.00 1.01 0.00 0.00 58.87 59.01 1pm6 n SER 28 Cb 0.18 -4.67 0.02 0.00 -1.01 0.00 0.00 64.21 58.73 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 -3.94 2.96 -3.98 1.43 1.74 -1.13 -5.01 116.66 108.73 1pm6 n ARG 29 Ca -0.22 -4.01 -0.19 0.00 -0.77 0.00 0.00 57.85 52.66 1pm6 n ARG 29 Cb 0.65 -2.04 -0.17 0.00 -1.02 0.00 0.00 32.46 29.89 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 -4.47 0.33 0.01 0.55 1.01 -1.26 -0.98 121.20 116.38 1pm6 s ILE 30 Ca 0.43 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.13 1pm6 s ILE 30 Cb 0.39 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 42.43 1pm6 s ILE 30 CO -0.02 0.20 -0.07 0.12 0.00 0.00 0.00 174.94 175.16 1pm6 s PHE 31 N 1.19 0.66 0.47 3.97 5.36 -0.20 -3.98 117.98 125.46 1pm6 s PHE 31 Ca -0.07 -0.19 -0.22 0.00 -0.96 0.00 0.00 56.93 55.49 1pm6 s PHE 31 Cb -0.14 -0.42 -0.08 0.00 -0.34 0.00 0.00 43.02 42.05 1pm6 s PHE 31 CO -0.02 -0.02 1.11 -1.25 -1.46 0.00 0.00 175.22 173.59 1pm6 s PRO 32 N -0.45 3.75 0.56 10.12 0.04 -1.26 -1.94 135.00 145.82 1pm6 s PRO 32 Ca 0.01 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 1pm6 s PRO 32 Cb -0.04 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1pm6 s PRO 32 CO -0.00 -0.52 1.11 -1.25 0.04 0.00 0.00 177.00 176.38 1pm6 s PRO 33 N -2.89 3.33 0.30 0.56 0.04 -1.26 -4.38 135.00 130.70 1pm6 s PRO 33 Ca 0.65 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.95 1pm6 s PRO 33 Cb -0.24 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1pm6 s PRO 33 CO 0.29 -0.85 0.96 -1.25 0.04 0.00 0.00 177.00 176.18 1pm6 s PRO 34 N -3.44 4.64 -0.12 0.56 0.04 -1.26 -4.78 135.00 130.65 1pm6 s PRO 34 Ca 0.71 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 1pm6 s PRO 34 Cb -0.22 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1pm6 s PRO 34 CO 0.29 0.32 0.42 0.54 0.04 0.00 0.00 177.00 178.61 1pm6 s VAL 35 N -1.46 5.20 -0.55 -0.36 0.11 -0.20 -4.84 120.40 118.30 1pm6 s VAL 35 Ca 0.48 0.83 -0.28 0.00 -2.93 0.00 0.00 61.98 60.08 1pm6 s VAL 35 Cb -0.22 -3.76 0.01 0.00 -1.53 0.00 0.00 36.38 30.89 1pm6 s VAL 35 CO 0.27 0.37 1.40 -0.75 -3.33 0.00 0.00 175.10 173.06 1pm6 s LYS 36 N 0.40 3.35 0.15 1.54 2.47 -1.26 -0.59 119.74 125.80 1pm6 s LYS 36 Ca 0.23 0.49 -0.05 0.00 -1.56 0.00 0.00 55.97 55.07 1pm6 s LYS 36 Cb -0.15 -4.10 -0.01 0.00 -1.46 0.00 0.00 37.83 32.11 1pm6 s LYS 36 CO 0.09 -1.88 1.40 0.22 0.16 0.00 0.00 175.35 175.34 1pm6 h ASP 37 N 10.91 0.66 0.00 1.43 3.58 -1.93 -3.49 116.42 127.57 1pm6 h ASP 37 Ca -0.27 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 56.76 1pm6 h ASP 37 Cb 1.09 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1pm6 h ASP 37 CO 1.17 1.18 0.00 0.61 -2.88 0.00 0.00 179.24 179.32 1pm6 n GLY 38 N 0.57 0.77 0.08 -0.78 0.00 -1.26 -4.96 105.19 99.61 1pm6 n GLY 38 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1pm6 n GLY 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pm6 h ARG 39 N 0.00 0.10 -3.68 1.61 9.65 -2.01 -3.48 114.38 116.56 1pm6 h ARG 39 Ca 0.00 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 1pm6 h ARG 39 Cb 0.00 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 28.45 1pm6 h ARG 39 CO 0.00 0.63 -0.29 -2.00 2.80 0.00 0.00 179.97 181.12 1pm6 s GLU 40 N -3.97 0.90 0.35 0.20 2.12 -1.26 -5.17 118.70 111.87 1pm6 s GLU 40 Ca -0.16 -0.88 -0.28 0.00 0.36 0.00 0.00 54.97 54.01 1pm6 s GLU 40 Cb 0.02 0.38 -0.11 0.00 0.26 0.00 0.00 34.13 34.68 1pm6 s GLU 40 CO 0.70 -0.31 1.37 0.71 -0.54 0.00 0.00 175.26 177.19 1pm6 s TYR 41 N -3.79 2.89 -0.40 5.30 2.02 -1.26 -3.53 117.35 118.57 1pm6 s TYR 41 Ca 0.04 1.33 -0.09 0.00 -0.37 0.00 0.00 57.07 57.98 1pm6 s TYR 41 Cb 0.04 -3.80 0.06 0.00 -0.40 0.00 0.00 41.96 37.87 1pm6 s TYR 41 CO -0.11 -2.24 0.24 -0.51 -1.57 0.00 0.00 175.55 171.36 1pm6 s LEU 42 N -1.90 5.01 0.86 -1.29 1.43 0.24 -1.25 118.68 121.77 1pm6 s LEU 42 Ca 0.50 -1.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.11 1pm6 s LEU 42 Cb -0.42 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 43.92 1pm6 s LEU 42 CO 0.56 -0.49 1.19 -0.36 0.23 0.00 0.00 176.35 177.48 1pm6 s PHE 43 N 1.45 2.64 0.42 0.29 0.40 0.55 -1.03 117.98 122.70 1pm6 s PHE 43 Ca 0.02 0.70 -0.21 0.00 -0.60 0.00 0.00 56.93 56.85 1pm6 s PHE 43 Cb -0.22 -3.57 -0.11 0.00 0.51 0.00 0.00 43.02 39.64 1pm6 s PHE 43 CO 0.03 -2.05 0.93 -1.58 0.70 0.00 0.00 175.22 173.26 1pm6 s HIS 44 N -3.56 3.33 0.22 0.36 5.65 -1.26 -0.17 115.29 119.86 1pm6 s HIS 44 Ca 0.64 1.58 -0.09 0.00 0.25 0.00 0.00 55.06 57.44 1pm6 s HIS 44 Cb -0.11 -2.82 0.35 0.00 -1.18 0.00 0.00 32.58 28.81 1pm6 s HIS 44 CO 0.50 -0.08 1.66 1.49 -0.65 0.00 0.00 174.74 177.66 1pm6 h GLU 45 N 1.98 0.14 -2.18 2.88 4.22 -1.90 -1.89 114.58 117.83 1pm6 h GLU 45 Ca -0.49 -0.01 -0.77 0.00 0.08 0.00 0.00 59.36 58.18 1pm6 h GLU 45 Cb 1.18 -0.03 -0.29 0.00 0.50 0.00 0.00 28.75 30.11 1pm6 h GLU 45 CO 0.62 0.09 0.78 -1.13 -2.18 0.00 0.00 179.01 177.19 1pm6 n SER 46 N -5.27 6.97 -4.72 1.04 3.41 -1.26 -5.02 113.62 108.77 1pm6 n SER 46 Ca 0.11 -3.72 -0.40 0.00 -0.26 0.00 0.00 58.87 54.60 1pm6 n SER 46 Cb 0.39 -1.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.24 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pm6 s ALA 47 N -4.16 3.33 0.17 7.33 0.00 -0.71 -4.54 121.76 123.19 1pm6 s ALA 47 Ca 0.43 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1pm6 s ALA 47 Cb 0.26 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1pm6 s ALA 47 CO -0.19 -0.08 0.03 0.14 0.00 0.00 0.00 175.76 175.66 1pm6 s VAL 48 N 0.67 0.48 -0.17 0.00 -7.23 -0.82 -4.94 120.40 108.40 1pm6 s VAL 48 Ca 0.38 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1pm6 s VAL 48 Cb -0.18 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1pm6 s VAL 48 CO 0.19 -0.41 1.37 -0.54 -0.31 0.00 0.00 175.10 175.41 1pm6 s LYS 49 N -3.97 4.14 -0.43 4.82 3.01 -1.26 -1.03 119.74 125.02 1pm6 s LYS 49 Ca 0.26 1.70 -0.16 0.00 -1.01 0.00 0.00 55.97 56.76 1pm6 s LYS 49 Cb 0.07 -3.85 0.03 0.00 -1.01 0.00 0.00 37.83 33.07 1pm6 s LYS 49 CO 0.05 -0.84 0.37 0.54 0.51 0.00 0.00 175.35 175.97 1pm6 s VAL 50 N 3.88 5.20 0.44 3.17 0.11 -0.16 -4.92 120.40 128.12 1pm6 s VAL 50 Ca 0.60 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1pm6 s VAL 50 Cb -0.23 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 1pm6 s VAL 50 CO 0.20 -0.42 0.00 -0.67 -3.33 0.00 0.00 175.10 170.88 1pm6 n ASP 51 N 5.31 -7.01 0.07 3.54 2.03 -1.26 -4.64 116.55 114.58 1pm6 n ASP 51 Ca -0.10 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1pm6 n ASP 51 Cb 0.46 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 1pm6 n ASP 51 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1pm6 n LEU 52 N -1.44 -1.06 -4.25 -2.67 0.00 -1.26 -4.90 117.00 101.42 1pm6 n LEU 52 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 56.01 56.11 1pm6 n LEU 52 Cb 0.14 1.28 -0.10 0.00 0.00 0.00 0.00 43.42 44.73 1pm6 n LEU 52 CO 0.00 -0.32 -0.42 0.20 0.00 0.00 0.00 177.39 176.85 1pm6 s ASN 53 N -1.86 1.89 0.59 1.96 -0.87 -1.26 -5.17 114.94 110.22 1pm6 s ASN 53 Ca 0.00 -0.96 -0.18 0.00 -1.57 0.00 0.00 52.86 50.15 1pm6 s ASN 53 Cb 0.00 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.25 41.16 1pm6 s ASN 53 CO 0.00 -0.27 1.16 -0.13 -2.57 0.00 0.00 177.10 175.29 1pm6 s ARG 54 N -3.44 3.05 0.00 -0.60 0.52 -1.26 -5.09 118.95 112.14 1pm6 s ARG 54 Ca 0.15 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 1pm6 s ARG 54 Cb 0.00 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1pm6 s ARG 54 CO 0.02 -1.10 0.00 -0.35 0.02 0.00 0.00 175.30 173.89 1pm6 n PRO 55 N -1.69 2.37 -1.94 3.54 -0.04 -1.26 -4.93 135.00 131.06 1pm6 n PRO 55 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1pm6 n PRO 55 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 3.46 -0.84 0.52 1.01 -1.26 -4.91 120.40 118.38 1pm6 s VAL 56 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 1pm6 s VAL 56 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1pm6 s VAL 56 CO 0.00 -0.11 1.36 0.42 0.00 0.00 0.00 175.10 176.77 1pm6 s THR 57 N 4.81 3.79 -1.27 3.92 -4.23 -1.26 -4.95 115.64 116.44 1pm6 s THR 57 Ca 0.78 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 61.07 1pm6 s THR 57 Cb -0.33 -4.95 0.02 0.00 1.34 0.00 0.00 72.50 68.59 1pm6 s THR 57 CO 0.32 -1.87 1.84 0.61 -0.54 0.00 0.00 174.62 174.98 1pm6 n GLY 58 N 5.95 2.40 2.34 3.99 0.00 -1.26 -4.77 105.19 113.83 1pm6 n GLY 58 Ca 0.15 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1pm6 n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pm6 n SER 59 N 9.54 -0.46 -4.52 1.61 7.64 -1.26 -5.12 113.62 121.05 1pm6 n SER 59 Ca 0.48 -2.58 -0.34 0.00 1.01 0.00 0.00 58.87 57.44 1pm6 n SER 59 Cb 0.45 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 63.17 1pm6 n SER 59 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1pm6 s LEU 60 N -0.49 3.24 -0.15 -3.43 2.34 -1.26 -5.12 118.68 113.81 1pm6 s LEU 60 Ca 0.34 -0.09 -0.05 0.00 0.06 0.00 0.00 54.13 54.39 1pm6 s LEU 60 Cb 0.11 -1.76 0.07 0.00 -0.56 0.00 0.00 46.19 44.05 1pm6 s LEU 60 CO -0.15 0.23 0.27 -1.48 -1.06 0.00 0.00 176.35 174.15 1pm6 s LEU 61 N 0.02 -0.31 -0.06 1.48 0.05 -1.26 -5.15 118.68 113.45 1pm6 s LEU 61 Ca 0.00 0.51 -0.02 0.00 0.05 0.00 0.00 54.13 54.66 1pm6 s LEU 61 Cb -0.13 0.71 0.04 0.00 -2.05 0.00 0.00 46.19 44.76 1pm6 s LEU 61 CO 0.03 -0.25 0.11 -0.75 -0.55 0.00 0.00 176.35 174.94 1pm6 s LYS 62 N 2.42 0.02 -0.15 1.48 2.20 -1.26 -5.16 119.74 119.30 1pm6 s LYS 62 Ca 0.02 0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.98 1pm6 s LYS 62 Cb -0.13 -0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 35.89 1pm6 s LYS 62 CO -0.09 -0.23 0.01 -0.98 -0.36 0.00 0.00 175.35 173.69 1pm6 s ARG 63 N 1.61 3.66 0.07 4.03 3.03 -1.26 -5.13 118.95 124.96 1pm6 s ARG 63 Ca -0.04 -0.43 0.01 0.00 2.03 0.00 0.00 55.73 57.30 1pm6 s ARG 63 Cb -0.12 -3.00 -0.04 0.00 -1.03 0.00 0.00 34.95 30.76 1pm6 s ARG 63 CO -0.05 0.34 0.17 0.96 -1.13 0.00 0.00 175.30 175.59 1pm6 s ILE 64 N 0.13 5.11 0.01 4.99 -4.36 -1.26 -5.14 121.20 120.67 1pm6 s ILE 64 Ca 0.01 -0.53 -0.01 0.00 -0.26 0.00 0.00 60.65 59.86 1pm6 s ILE 64 Cb -0.13 -3.49 -0.04 0.00 1.25 0.00 0.00 42.46 40.05 1pm6 s ILE 64 CO 0.02 0.12 0.15 0.00 0.24 0.00 0.00 174.94 175.47 1pm6 s ARG 65 N -2.52 3.30 -0.07 0.37 1.70 -1.26 -5.13 118.95 115.33 1pm6 s ARG 65 Ca 0.33 -0.40 -0.00 0.00 -0.47 0.00 0.00 55.73 55.19 1pm6 s ARG 65 Cb -0.13 -3.00 -0.03 0.00 -0.57 0.00 0.00 34.95 31.22 1pm6 s ARG 65 CO 0.26 0.65 -0.04 1.21 -1.08 0.00 0.00 175.30 176.30 1pm6 s ASN 66 N -1.98 4.88 -0.21 -2.89 2.47 -1.26 -5.11 114.94 110.85 1pm6 s ASN 66 Ca 0.27 0.04 -0.29 0.00 0.42 0.00 0.00 52.86 53.31 1pm6 s ASN 66 Cb -0.12 -1.29 0.00 0.00 -1.45 0.00 0.00 41.25 38.39 1pm6 s ASN 66 CO 0.19 0.37 1.01 -0.83 -3.72 0.00 0.00 177.10 174.12 1pm6 s GLY 67 N -0.84 1.83 -0.29 1.21 0.00 -1.26 -5.04 107.32 102.94 1pm6 s GLY 67 Ca 0.13 0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.88 1pm6 s GLY 67 CO 0.02 2.09 0.40 1.25 0.00 0.00 0.00 173.10 176.86 1pm6 s LYS 68 N 2.93 3.92 0.16 2.90 2.36 -1.26 -5.08 119.74 125.66 1pm6 s LYS 68 Ca 0.44 -0.02 -0.19 0.00 -2.55 0.00 0.00 55.97 53.65 1pm6 s LYS 68 Cb -0.16 -3.69 -0.07 0.00 -1.05 0.00 0.00 37.83 32.86 1pm6 s LYS 68 CO 0.08 -0.36 0.65 -1.59 1.55 0.00 0.00 175.35 175.69 1pm6 s LYS 69 N 2.12 4.24 0.08 4.03 0.00 -1.26 -5.11 119.74 123.83 1pm6 s LYS 69 Ca 0.15 0.81 0.03 0.00 0.00 0.00 0.00 55.97 56.96 1pm6 s LYS 69 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 37.83 34.58 1pm6 s LYS 69 CO 0.10 0.51 0.08 0.00 0.00 0.00 0.00 175.35 176.04 1pm6 s ALA 70 N -1.33 3.57 -0.11 0.59 0.00 -1.26 -4.92 121.76 118.29 1pm6 s ALA 70 Ca 0.37 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1pm6 s ALA 70 Cb -0.18 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.51 1pm6 s ALA 70 CO 0.21 0.75 0.06 1.17 0.00 0.00 0.00 175.76 177.95 1pm6 n LYS 71 N 0.45 -1.85 0.00 0.00 3.00 -1.26 -5.37 118.16 113.13 1pm6 n LYS 71 Ca -0.09 1.70 0.15 0.00 -0.00 0.00 0.00 58.31 60.08 1pm6 n LYS 71 Cb 0.52 -2.91 0.81 0.00 0.00 0.00 0.00 35.03 33.45 1pm6 n LYS 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83