#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 0.00 -4.22 2.03 4.01 -1.26 -5.08 117.16 112.64 1pm6 n TYR 2 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1pm6 n TYR 2 Cb 0.00 -1.42 -0.07 0.00 -0.31 0.00 0.00 39.34 37.54 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 -0.24 3.38 0.78 7.72 2.34 0.47 -4.90 118.68 128.22 1pm6 s LEU 3 Ca 0.00 -0.47 -0.11 0.00 0.06 0.00 0.00 54.13 53.61 1pm6 s LEU 3 Cb 0.00 -1.94 0.06 0.00 -0.56 0.00 0.00 46.19 43.75 1pm6 s LEU 3 CO 0.00 0.02 1.10 -0.89 -1.06 0.00 0.00 176.35 175.52 1pm6 s THR 4 N -2.08 3.25 0.20 5.48 2.01 -1.26 -0.84 115.64 122.39 1pm6 s THR 4 Ca 0.30 0.41 -0.14 0.00 0.31 0.00 0.00 61.69 62.57 1pm6 s THR 4 Cb -0.08 -2.87 0.18 0.00 0.01 0.00 0.00 72.50 69.75 1pm6 s THR 4 CO 0.21 -0.53 1.65 0.25 -0.69 0.00 0.00 174.62 175.51 1pm6 h LEU 5 N -1.15 -0.44 -0.75 4.42 6.46 -1.94 0.20 115.31 122.11 1pm6 h LEU 5 Ca -0.44 0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.45 1pm6 h LEU 5 Cb 1.23 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 1pm6 h LEU 5 CO 0.51 -0.16 0.33 -0.61 -0.62 0.00 0.00 178.44 177.89 1pm6 h GLN 6 N 0.03 1.10 -0.80 1.25 4.15 -1.94 -1.32 115.11 117.58 1pm6 h GLN 6 Ca 0.27 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1pm6 h GLN 6 Cb 0.43 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1pm6 h GLN 6 CO -0.54 0.88 0.43 0.93 -1.93 0.00 0.00 178.83 178.59 1pm6 h GLU 7 N 1.07 1.13 -0.18 1.69 5.08 -1.79 -1.38 114.58 120.19 1pm6 h GLU 7 Ca 0.25 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1pm6 h GLU 7 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1pm6 h GLU 7 CO -0.03 0.84 0.08 2.35 -1.00 0.00 0.00 179.01 181.26 1pm6 h TRP 8 N 1.12 0.15 -0.55 4.33 7.01 -0.56 -0.17 115.95 127.28 1pm6 h TRP 8 Ca 0.28 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.32 1pm6 h TRP 8 Cb 0.05 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 1pm6 h TRP 8 CO 0.01 0.09 0.33 -0.97 -2.79 0.00 0.00 178.44 175.10 1pm6 h ASN 9 N 0.18 0.53 -0.62 2.65 -1.24 -1.19 -2.31 115.58 113.59 1pm6 h ASN 9 Ca 0.07 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1pm6 h ASN 9 Cb 0.02 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1pm6 h ASN 9 CO -0.06 0.37 0.33 0.00 -1.29 0.00 0.00 177.43 176.79 1pm6 h ALA 10 N 1.25 1.39 -0.96 1.57 0.00 -1.28 -3.18 119.26 118.05 1pm6 h ALA 10 Ca 0.22 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1pm6 h ALA 10 Cb 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1pm6 h ALA 10 CO -0.10 0.50 0.63 -0.09 0.00 0.00 0.00 179.25 180.18 1pm6 h ARG 11 N 0.89 1.12 -3.87 0.00 2.43 -0.67 -3.33 114.38 110.95 1pm6 h ARG 11 Ca 0.23 -0.07 -0.66 0.00 -0.81 0.00 0.00 59.98 58.67 1pm6 h ARG 11 Cb 0.05 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1pm6 h ARG 11 CO -0.03 0.74 3.02 1.04 -1.51 0.00 0.00 179.97 183.23 1pm6 n GLN 12 N -4.47 2.61 0.00 0.20 1.13 -0.90 -4.75 117.38 111.20 1pm6 n GLN 12 Ca 0.14 -2.23 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 1pm6 n GLN 12 Cb 0.15 -3.03 0.00 0.00 0.11 0.00 0.00 30.24 27.47 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 5.66 0.00 -3.57 -1.09 3.00 -1.26 -4.79 116.66 114.61 1pm6 n ARG 13 Ca 0.56 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 58.23 1pm6 n ARG 13 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.73 1pm6 n ARG 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1pm6 s ARG 14 N 0.00 0.97 -0.64 5.56 3.52 -1.25 -4.99 118.95 122.12 1pm6 s ARG 14 Ca 0.00 0.28 -0.27 0.00 -0.13 0.00 0.00 55.73 55.61 1pm6 s ARG 14 Cb 0.00 0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 33.84 1pm6 s ARG 14 CO 0.00 -0.28 1.69 -1.25 -0.81 0.00 0.00 175.30 174.65 1pm6 s PRO 15 N -1.03 2.81 0.00 5.12 0.04 -1.20 -4.62 135.00 136.12 1pm6 s PRO 15 Ca -0.10 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1pm6 s PRO 15 Cb -0.01 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1pm6 s PRO 15 CO 0.08 -2.53 0.63 0.54 0.04 0.00 0.00 177.00 175.76 1pm6 n ARG 16 N 9.21 0.00 -3.64 4.56 1.74 -1.26 -4.95 116.66 122.31 1pm6 n ARG 16 Ca 0.15 0.47 -0.09 0.00 -0.77 0.00 0.00 57.85 57.61 1pm6 n ARG 16 Cb 0.51 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.59 1pm6 n ARG 16 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pm6 s SER 17 N -2.30 -0.88 0.21 0.55 0.15 -1.26 -5.05 113.70 105.12 1pm6 s SER 17 Ca 0.00 1.48 -0.08 0.00 0.70 0.00 0.00 55.95 58.05 1pm6 s SER 17 Cb 0.00 1.40 0.15 0.00 -1.71 0.00 0.00 66.02 65.86 1pm6 s SER 17 CO 0.00 -0.24 1.77 -0.07 1.20 0.00 0.00 173.24 175.90 1pm6 h LEU 18 N 6.42 1.09 -1.24 3.45 3.38 -1.97 -1.59 115.31 124.84 1pm6 h LEU 18 Ca -0.30 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1pm6 h LEU 18 Cb 1.21 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1pm6 h LEU 18 CO 0.13 0.97 0.53 1.05 0.09 0.00 0.00 178.44 181.22 1pm6 h GLU 19 N 1.14 0.93 -0.27 1.13 4.11 -1.99 -1.72 114.58 117.91 1pm6 h GLU 19 Ca 0.26 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 1pm6 h GLU 19 Cb 0.23 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pm6 h GLU 19 CO -0.02 0.62 0.10 1.15 0.07 0.00 0.00 179.01 180.92 1pm6 h THR 20 N 0.96 1.18 -0.43 -1.06 2.02 -1.86 -0.40 112.91 113.32 1pm6 h THR 20 Ca 0.33 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 67.02 1pm6 h THR 20 Cb 0.11 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1pm6 h THR 20 CO -0.11 0.19 -0.01 0.58 0.37 0.00 0.00 175.52 176.54 1pm6 h VAL 21 N 0.28 0.66 -0.83 3.16 2.07 -1.26 -0.26 116.25 120.06 1pm6 h VAL 21 Ca 0.09 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1pm6 h VAL 21 Cb 0.21 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1pm6 h VAL 21 CO -0.01 0.02 0.49 -0.09 0.02 0.00 0.00 177.57 178.00 1pm6 h ARG 22 N 0.09 1.14 -0.87 1.57 1.12 -1.27 -1.62 114.38 114.54 1pm6 h ARG 22 Ca 0.21 -0.11 -0.02 0.00 -1.11 0.00 0.00 59.98 58.95 1pm6 h ARG 22 Cb 0.31 -0.23 -0.04 0.00 -0.01 0.00 0.00 29.97 30.00 1pm6 h ARG 22 CO -0.37 0.81 0.48 -0.09 -3.11 0.00 0.00 179.97 177.69 1pm6 h ARG 23 N 1.14 1.21 -0.80 0.20 2.43 -0.88 -1.15 114.38 116.54 1pm6 h ARG 23 Ca 0.30 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1pm6 h ARG 23 Cb -0.02 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.25 1pm6 h ARG 23 CO -0.05 0.89 0.52 -1.49 -1.51 0.00 0.00 179.97 178.33 1pm6 h TRP 24 N 1.22 1.01 -0.13 2.20 4.06 -0.86 -0.95 115.95 122.49 1pm6 h TRP 24 Ca 0.31 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.26 1pm6 h TRP 24 Cb 0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 1pm6 h TRP 24 CO 0.01 0.64 0.02 0.28 -3.56 0.00 0.00 178.44 175.83 1pm6 h VAL 25 N 1.08 1.21 -0.66 1.49 2.07 -1.18 -0.44 116.25 119.84 1pm6 h VAL 25 Ca 0.29 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 67.24 1pm6 h VAL 25 Cb -0.12 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 1pm6 h VAL 25 CO -0.06 0.20 0.26 0.03 0.02 0.00 0.00 177.57 178.02 1pm6 h ARG 26 N -0.00 0.43 -0.94 1.57 3.08 -1.10 -2.51 114.38 114.91 1pm6 h ARG 26 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1pm6 h ARG 26 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1pm6 h ARG 26 CO 0.00 0.29 0.00 -1.91 -1.07 0.00 0.00 179.97 177.28 1pm6 n GLU 27 N -4.98 1.47 -3.80 0.04 0.00 -0.37 -4.96 120.64 108.04 1pm6 n GLU 27 Ca 0.10 -0.38 -0.28 0.00 0.00 0.00 0.00 57.16 56.61 1pm6 n GLU 27 Cb 0.30 -1.59 0.01 0.00 0.00 0.00 0.00 31.44 30.17 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1pm6 n SER 28 N 0.07 -2.59 -0.07 4.31 7.64 -0.95 -4.97 113.62 117.06 1pm6 n SER 28 Ca 0.03 -0.99 -0.13 0.00 1.01 0.00 0.00 58.87 58.80 1pm6 n SER 28 Cb 0.36 -3.32 -0.06 0.00 -1.01 0.00 0.00 64.21 60.19 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 -4.30 0.31 -2.56 1.43 1.74 -0.19 -4.95 116.66 108.15 1pm6 n ARG 29 Ca -0.21 0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.55 1pm6 n ARG 29 Cb 0.64 -1.11 -0.02 0.00 -1.02 0.00 0.00 32.46 30.95 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 -2.26 4.44 -0.06 0.55 1.01 -1.25 -1.66 121.20 121.96 1pm6 s ILE 30 Ca -0.19 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.20 1pm6 s ILE 30 Cb 0.06 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 1pm6 s ILE 30 CO 0.27 -0.33 -0.21 0.12 0.00 0.00 0.00 174.94 174.80 1pm6 s PHE 31 N 3.64 2.11 0.60 3.97 5.36 -0.10 -3.56 117.98 130.00 1pm6 s PHE 31 Ca 0.49 -0.68 -0.17 0.00 -0.96 0.00 0.00 56.93 55.61 1pm6 s PHE 31 Cb -0.16 -1.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 1pm6 s PHE 31 CO 0.14 -0.24 1.11 -1.25 -1.46 0.00 0.00 175.22 173.53 1pm6 s PRO 32 N 0.06 3.08 0.55 10.12 0.04 -1.26 -1.64 135.00 145.96 1pm6 s PRO 32 Ca -0.07 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 1pm6 s PRO 32 Cb -0.14 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1pm6 s PRO 32 CO 0.04 -1.04 1.25 -1.25 0.04 0.00 0.00 177.00 176.04 1pm6 s PRO 33 N -3.73 3.16 0.45 0.56 0.04 -1.23 -4.78 135.00 129.47 1pm6 s PRO 33 Ca 0.69 1.95 -0.24 0.00 0.04 0.00 0.00 61.00 63.44 1pm6 s PRO 33 Cb -0.22 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1pm6 s PRO 33 CO 0.35 -1.09 1.25 -1.25 0.04 0.00 0.00 177.00 176.29 1pm6 s PRO 34 N -3.08 3.75 -0.30 0.56 0.04 -1.26 -4.91 135.00 129.81 1pm6 s PRO 34 Ca 0.73 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 1pm6 s PRO 34 Cb -0.33 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1pm6 s PRO 34 CO 0.38 -0.62 1.46 0.08 0.04 0.00 0.00 177.00 178.34 1pm6 s VAL 35 N -1.39 3.91 -1.13 -0.36 1.01 -0.21 -4.77 120.40 117.45 1pm6 s VAL 35 Ca 0.62 1.00 -0.21 0.00 0.00 0.00 0.00 61.98 63.38 1pm6 s VAL 35 Cb -0.34 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1pm6 s VAL 35 CO 0.42 -0.47 1.69 -0.75 0.00 0.00 0.00 175.10 176.00 1pm6 s LYS 36 N 4.58 3.44 0.67 2.72 2.20 -1.26 -0.97 119.74 131.12 1pm6 s LYS 36 Ca 0.64 -1.34 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 1pm6 s LYS 36 Cb -0.19 -5.37 -0.00 0.00 -1.51 0.00 0.00 37.83 30.76 1pm6 s LYS 36 CO 0.28 -2.64 1.06 0.34 -0.36 0.00 0.00 175.35 174.02 1pm6 s ASP 37 N 5.33 5.44 0.00 1.43 2.15 -0.54 -4.93 116.67 125.55 1pm6 s ASP 37 Ca 0.55 1.68 0.00 0.00 0.43 0.00 0.00 52.55 55.21 1pm6 s ASP 37 Cb 0.00 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1pm6 s ASP 37 CO 0.01 -1.40 0.00 0.61 -0.17 0.00 0.00 175.17 174.22 1pm6 n GLY 38 N -1.69 0.00 2.54 2.66 0.00 -1.26 -1.23 105.19 106.21 1pm6 n GLY 38 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.85 1.09 -3.64 1.61 0.00 -1.26 -5.13 116.66 106.48 1pm6 n ARG 39 Ca 0.00 -3.17 -0.09 0.00 -0.00 0.00 0.00 57.85 54.59 1pm6 n ARG 39 Cb 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 32.46 31.10 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1pm6 s GLU 40 N -2.65 0.63 -0.29 -0.14 2.02 -0.36 -5.15 118.70 112.76 1pm6 s GLU 40 Ca 0.30 0.85 -0.26 0.00 0.02 0.00 0.00 54.97 55.87 1pm6 s GLU 40 Cb 0.42 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.91 1pm6 s GLU 40 CO -0.00 -0.09 0.93 0.71 0.02 0.00 0.00 175.26 176.82 1pm6 s TYR 41 N 0.70 3.22 -0.49 1.61 2.02 -1.26 -1.47 117.35 121.68 1pm6 s TYR 41 Ca -0.02 1.08 -0.17 0.00 -0.37 0.00 0.00 57.07 57.59 1pm6 s TYR 41 Cb -0.05 -3.36 0.07 0.00 -0.40 0.00 0.00 41.96 38.22 1pm6 s TYR 41 CO -0.08 -0.60 0.49 -0.51 -1.57 0.00 0.00 175.55 173.29 1pm6 s LEU 42 N 3.21 5.34 0.35 -1.29 1.43 -0.15 -3.11 118.68 124.46 1pm6 s LEU 42 Ca 0.39 -1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1pm6 s LEU 42 Cb -0.14 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 1pm6 s LEU 42 CO 0.12 -0.75 0.77 -0.36 0.23 0.00 0.00 176.35 176.36 1pm6 s PHE 43 N 2.06 3.37 0.35 0.29 0.40 -0.02 -1.05 117.98 123.38 1pm6 s PHE 43 Ca 0.09 1.26 -0.20 0.00 -0.60 0.00 0.00 56.93 57.48 1pm6 s PHE 43 Cb -0.22 -2.58 -0.10 0.00 0.51 0.00 0.00 43.02 40.63 1pm6 s PHE 43 CO 0.09 0.04 0.86 -1.58 0.70 0.00 0.00 175.22 175.33 1pm6 s HIS 44 N -2.05 3.46 0.34 0.36 5.65 -1.26 -0.39 115.29 121.40 1pm6 s HIS 44 Ca 0.55 1.51 0.07 0.00 0.25 0.00 0.00 55.06 57.45 1pm6 s HIS 44 Cb -0.10 -2.75 0.76 0.00 -1.18 0.00 0.00 32.58 29.31 1pm6 s HIS 44 CO 0.18 0.08 1.88 0.93 -0.65 0.00 0.00 174.74 177.16 1pm6 h GLU 45 N 2.51 0.74 -1.77 2.88 3.07 -1.94 -1.63 114.58 118.45 1pm6 h GLU 45 Ca -0.48 -0.04 -0.58 0.00 -0.50 0.00 0.00 59.36 57.75 1pm6 h GLU 45 Cb 1.18 -0.17 -0.22 0.00 -0.84 0.00 0.00 28.75 28.71 1pm6 h GLU 45 CO 0.64 0.49 0.68 0.45 -1.40 0.00 0.00 179.01 179.87 1pm6 n SER 46 N -4.56 7.00 -4.67 1.42 2.88 -1.26 -4.96 113.62 109.48 1pm6 n SER 46 Ca 0.17 -3.47 -0.37 0.00 -1.33 0.00 0.00 58.87 53.87 1pm6 n SER 46 Cb 0.41 -1.12 -0.09 0.00 -0.75 0.00 0.00 64.21 62.67 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 -2.79 3.60 0.01 -1.46 0.00 -0.61 -4.38 121.76 116.12 1pm6 s ALA 47 Ca 0.53 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1pm6 s ALA 47 Cb 0.40 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1pm6 s ALA 47 CO -0.22 -0.20 0.05 0.14 0.00 0.00 0.00 175.76 175.53 1pm6 s VAL 48 N 1.09 0.10 -0.32 0.00 -7.23 -0.65 -4.91 120.40 108.48 1pm6 s VAL 48 Ca 0.11 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.21 1pm6 s VAL 48 Cb -0.14 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.46 1pm6 s VAL 48 CO 0.05 -0.45 0.90 -1.59 -0.31 0.00 0.00 175.10 173.70 1pm6 s LYS 49 N -1.45 3.98 -1.15 4.82 0.00 -1.26 -0.92 119.74 123.74 1pm6 s LYS 49 Ca -0.15 0.74 -0.05 0.00 0.00 0.00 0.00 55.97 56.50 1pm6 s LYS 49 Cb -0.09 -3.74 0.25 0.00 0.00 0.00 0.00 37.83 34.25 1pm6 s LYS 49 CO 0.00 -0.79 1.72 1.55 0.00 0.00 0.00 175.35 177.84 1pm6 n VAL 50 N 5.70 5.13 -3.83 1.79 3.14 -0.66 -4.95 118.33 124.65 1pm6 n VAL 50 Ca 0.07 -5.35 -0.05 0.00 -2.96 0.00 0.00 64.34 56.05 1pm6 n VAL 50 Cb 0.48 -2.10 0.01 0.00 -1.06 0.00 0.00 33.84 31.17 1pm6 n VAL 50 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1pm6 s ASP 51 N -0.78 -0.06 0.00 6.55 -1.08 -1.26 -4.99 116.67 115.05 1pm6 s ASP 51 Ca 0.36 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 1pm6 s ASP 51 Cb 0.09 0.60 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1pm6 s ASP 51 CO 0.03 -1.17 0.00 0.18 0.52 0.00 0.00 175.17 174.73 1pm6 n LEU 52 N -0.58 0.00 -2.13 -1.34 4.77 -1.26 -4.83 117.00 111.63 1pm6 n LEU 52 Ca -0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1pm6 n LEU 52 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1pm6 n LEU 52 CO 0.20 0.00 -0.24 -3.20 -1.33 0.00 0.00 177.39 172.82 1pm6 n ASN 53 N 1.59 -5.09 -4.82 -1.43 2.85 -1.26 -5.04 115.26 102.06 1pm6 n ASN 53 Ca 0.00 0.71 -0.38 0.00 -0.11 0.00 0.00 54.58 54.80 1pm6 n ASN 53 Cb 0.00 -3.23 -0.06 0.00 1.24 0.00 0.00 39.78 37.73 1pm6 n ASN 53 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1pm6 s ARG 54 N -0.90 4.11 0.56 1.20 0.52 -1.26 -5.09 118.95 118.09 1pm6 s ARG 54 Ca 0.01 0.63 -0.18 0.00 -0.52 0.00 0.00 55.73 55.67 1pm6 s ARG 54 Cb -0.00 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 1pm6 s ARG 54 CO 0.40 0.64 1.07 -1.25 0.02 0.00 0.00 175.30 176.18 1pm6 s PRO 55 N -1.18 3.44 -0.08 3.54 0.04 -1.26 -5.09 135.00 134.41 1pm6 s PRO 55 Ca 0.28 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 1pm6 s PRO 55 Cb -0.18 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1pm6 s PRO 55 CO 0.18 -0.73 0.22 0.54 0.04 0.00 0.00 177.00 177.25 1pm6 s VAL 56 N -2.18 -0.00 -0.02 -0.36 0.11 -1.26 -5.18 120.40 111.51 1pm6 s VAL 56 Ca 0.66 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.78 1pm6 s VAL 56 Cb -0.18 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1pm6 s VAL 56 CO 0.30 0.00 -0.20 0.28 -3.33 0.00 0.00 175.10 172.15 1pm6 s THR 57 N 0.14 1.60 -0.43 5.04 -1.32 -1.26 -5.13 115.64 114.28 1pm6 s THR 57 Ca -0.00 -0.85 -0.12 0.00 -1.21 0.00 0.00 61.69 59.50 1pm6 s THR 57 Cb -0.02 -1.34 0.06 0.00 -1.51 0.00 0.00 72.50 69.70 1pm6 s THR 57 CO 0.00 0.45 0.30 -0.83 -2.21 0.00 0.00 174.62 172.34 1pm6 s GLY 58 N -0.36 1.99 -0.09 6.08 0.00 -1.26 -5.09 107.32 108.59 1pm6 s GLY 58 Ca 0.05 -2.03 -0.06 0.00 0.00 0.00 0.00 44.72 42.68 1pm6 s GLY 58 CO 0.00 0.97 0.16 -0.56 0.00 0.00 0.00 173.10 173.67 1pm6 s SER 59 N 2.16 6.39 0.03 1.64 0.01 -1.26 -5.13 113.70 117.54 1pm6 s SER 59 Ca 0.03 0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.76 1pm6 s SER 59 Cb -0.22 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1pm6 s SER 59 CO 0.05 0.37 -0.07 -1.48 0.41 0.00 0.00 173.24 172.52 1pm6 s LEU 60 N -1.27 2.18 -0.19 2.44 -0.00 -1.26 -5.17 118.68 115.42 1pm6 s LEU 60 Ca 0.18 -0.42 -0.16 0.00 -0.00 0.00 0.00 54.13 53.74 1pm6 s LEU 60 Cb -0.12 -0.21 0.05 0.00 -0.00 0.00 0.00 46.19 45.91 1pm6 s LEU 60 CO 0.08 -0.12 0.50 -0.22 -0.00 0.00 0.00 176.35 176.58 1pm6 s LEU 61 N -1.15 0.00 -0.07 1.48 2.96 -1.26 -5.18 118.68 115.46 1pm6 s LEU 61 Ca -0.06 1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1pm6 s LEU 61 Cb -0.08 1.69 0.04 0.00 0.50 0.00 0.00 46.19 48.34 1pm6 s LEU 61 CO 0.00 -0.18 0.16 -0.75 -1.32 0.00 0.00 176.35 174.26 1pm6 s LYS 62 N 0.54 0.12 -0.13 1.98 2.20 -1.26 -5.15 119.74 118.04 1pm6 s LYS 62 Ca -0.02 0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 1pm6 s LYS 62 Cb -0.04 -0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.20 1pm6 s LYS 62 CO -0.03 -0.14 0.10 0.50 -0.36 0.00 0.00 175.35 175.41 1pm6 s ARG 63 N 1.02 0.03 0.42 4.03 3.00 -1.26 -5.16 118.95 121.02 1pm6 s ARG 63 Ca -0.08 0.13 -0.09 0.00 -1.00 0.00 0.00 55.73 54.69 1pm6 s ARG 63 Cb -0.10 -1.27 -0.05 0.00 0.00 0.00 0.00 34.95 33.53 1pm6 s ARG 63 CO -0.05 -0.54 0.76 0.96 0.00 0.00 0.00 175.30 176.43 1pm6 s ILE 64 N 2.17 4.84 0.18 4.11 -4.36 -1.26 -5.11 121.20 121.77 1pm6 s ILE 64 Ca 0.03 0.46 -0.16 0.00 -0.26 0.00 0.00 60.65 60.72 1pm6 s ILE 64 Cb -0.14 -3.77 -0.07 0.00 1.25 0.00 0.00 42.46 39.72 1pm6 s ILE 64 CO -0.07 -0.61 0.61 0.00 0.24 0.00 0.00 174.94 175.11 1pm6 s ARG 65 N -4.10 4.05 -0.15 0.37 1.70 -1.26 -5.11 118.95 114.45 1pm6 s ARG 65 Ca 0.50 0.60 0.01 0.00 -0.47 0.00 0.00 55.73 56.37 1pm6 s ARG 65 Cb -0.10 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 1pm6 s ARG 65 CO 0.35 0.44 -0.18 0.54 -1.08 0.00 0.00 175.30 175.38 1pm6 s ASN 66 N -1.73 3.45 0.61 -2.89 4.22 -1.26 -5.15 114.94 112.19 1pm6 s ASN 66 Ca 0.40 -0.52 0.05 0.00 -2.14 0.00 0.00 52.86 50.65 1pm6 s ASN 66 Cb -0.15 -1.52 0.11 0.00 1.28 0.00 0.00 41.25 40.97 1pm6 s ASN 66 CO 0.20 0.08 0.81 0.61 -2.04 0.00 0.00 177.10 176.76 1pm6 n GLY 67 N 4.06 1.39 3.34 0.45 0.00 -1.26 -5.16 105.19 108.02 1pm6 n GLY 67 Ca -0.19 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.59 0.49 0.16 1.61 2.36 -1.26 -5.18 119.74 113.34 1pm6 s LYS 68 Ca 0.57 0.76 -0.15 0.00 -2.55 0.00 0.00 55.97 54.60 1pm6 s LYS 68 Cb -0.04 0.12 -0.07 0.00 -1.05 0.00 0.00 37.83 36.79 1pm6 s LYS 68 CO 0.37 -0.11 0.59 0.15 1.55 0.00 0.00 175.35 177.90 1pm6 s LYS 69 N 0.89 4.04 0.26 4.03 3.01 -1.26 -5.12 119.74 125.59 1pm6 s LYS 69 Ca -0.05 0.58 0.02 0.00 -1.01 0.00 0.00 55.97 55.51 1pm6 s LYS 69 Cb -0.06 -2.92 -0.03 0.00 -1.01 0.00 0.00 37.83 33.81 1pm6 s LYS 69 CO -0.07 0.46 0.42 0.00 0.51 0.00 0.00 175.35 176.67 1pm6 s ALA 70 N -1.48 3.83 -0.01 5.17 0.00 -1.26 -5.08 121.76 122.94 1pm6 s ALA 70 Ca 0.39 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 1pm6 s ALA 70 Cb -0.15 -1.92 -0.18 0.00 0.00 0.00 0.00 23.12 20.87 1pm6 s ALA 70 CO 0.19 0.22 1.25 -0.22 0.00 0.00 0.00 175.76 177.21 1pm6 h LYS 71 N 1.29 -0.15 0.00 0.00 3.11 -2.11 -3.58 116.57 115.13 1pm6 h LYS 71 Ca -0.50 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 1pm6 h LYS 71 Cb 1.22 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1pm6 h LYS 71 CO 0.63 0.23 0.00 0.45 -2.81 0.00 0.00 179.45 177.95