#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 -0.48 0.03 2.03 2.02 -1.26 -4.72 117.35 114.96 1pm6 s TYR 2 Ca 0.00 0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 57.36 1pm6 s TYR 2 Cb 0.00 0.31 -0.05 0.00 -0.40 0.00 0.00 41.96 41.82 1pm6 s TYR 2 CO 0.00 -0.56 0.36 -1.17 -1.57 0.00 0.00 175.55 172.62 1pm6 s LEU 3 N -1.38 4.40 0.61 -1.29 2.96 0.82 -4.87 118.68 119.92 1pm6 s LEU 3 Ca -0.11 0.79 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 1pm6 s LEU 3 Cb -0.02 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 1pm6 s LEU 3 CO 0.06 0.26 1.20 -0.89 -1.32 0.00 0.00 176.35 175.66 1pm6 s THR 4 N -1.25 2.63 0.17 3.68 2.01 -1.26 -0.46 115.64 121.16 1pm6 s THR 4 Ca 0.28 0.38 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1pm6 s THR 4 Cb -0.15 -3.11 0.08 0.00 0.01 0.00 0.00 72.50 69.34 1pm6 s THR 4 CO 0.15 -0.10 1.61 0.25 -0.69 0.00 0.00 174.62 175.84 1pm6 h LEU 5 N 0.73 -0.94 -1.11 4.42 6.46 -1.94 0.26 115.31 123.19 1pm6 h LEU 5 Ca -0.50 0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 1pm6 h LEU 5 Cb 1.29 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 41.66 1pm6 h LEU 5 CO 0.55 -0.29 0.05 0.06 -0.62 0.00 0.00 178.44 178.19 1pm6 h GLN 6 N -0.20 0.68 -0.37 1.25 3.07 -1.93 -2.20 115.11 115.40 1pm6 h GLN 6 Ca 0.19 -0.15 -0.12 0.00 0.09 0.00 0.00 58.65 58.66 1pm6 h GLN 6 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1pm6 h GLN 6 CO -0.53 0.66 -0.25 0.93 0.09 0.00 0.00 178.83 179.73 1pm6 h GLU 7 N 0.65 0.76 -0.31 0.06 5.08 -1.80 -1.74 114.58 117.28 1pm6 h GLU 7 Ca 0.14 -0.32 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1pm6 h GLU 7 Cb 0.33 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1pm6 h GLU 7 CO 0.01 0.93 -0.02 2.35 -1.00 0.00 0.00 179.01 181.28 1pm6 h TRP 8 N 0.65 -0.06 0.14 4.33 7.01 -0.43 -0.56 115.95 127.03 1pm6 h TRP 8 Ca 0.09 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.13 1pm6 h TRP 8 Cb 0.77 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.85 1pm6 h TRP 8 CO 0.04 -0.08 -0.44 -0.97 -2.79 0.00 0.00 178.44 174.20 1pm6 h ASN 9 N 0.06 -1.30 0.00 2.65 -1.24 -1.36 -2.12 115.58 112.28 1pm6 h ASN 9 Ca 0.15 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1pm6 h ASN 9 Cb 0.21 0.48 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1pm6 h ASN 9 CO -0.27 -0.51 0.06 0.00 -1.29 0.00 0.00 177.43 175.42 1pm6 h ALA 10 N -0.26 1.06 0.00 1.57 0.00 -1.29 -2.04 119.26 118.30 1pm6 h ALA 10 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pm6 h ALA 10 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pm6 h ALA 10 CO -0.24 -0.06 -0.53 0.00 0.00 0.00 0.00 179.25 178.42 1pm6 h ARG 11 N 0.00 0.00 -7.03 0.00 -0.00 -0.79 -3.48 114.38 103.08 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 0.13 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.19 1pm6 h ARG 11 CO 0.00 0.00 0.52 -0.65 0.00 0.00 0.00 179.97 179.84 1pm6 s GLN 12 N -3.24 3.49 0.27 0.04 -1.52 -0.77 -4.98 119.66 112.94 1pm6 s GLN 12 Ca 0.04 1.91 -0.01 0.00 -1.95 0.00 0.00 55.36 55.35 1pm6 s GLN 12 Cb 0.10 -2.30 0.58 0.00 -0.22 0.00 0.00 33.01 31.16 1pm6 s GLN 12 CO 0.72 -0.81 1.69 0.00 -0.25 0.00 0.00 175.29 176.64 1pm6 h ARG 13 N 1.74 0.33 -3.61 2.91 3.08 -1.92 -3.34 114.38 113.57 1pm6 h ARG 13 Ca -0.50 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 58.96 1pm6 h ARG 13 Cb 1.27 -0.07 -0.40 0.00 0.08 0.00 0.00 29.97 30.85 1pm6 h ARG 13 CO 0.59 0.22 -0.76 1.03 -1.07 0.00 0.00 179.97 179.97 1pm6 s ARG 14 N -5.98 0.76 0.65 0.04 0.52 -1.26 -5.16 118.95 108.52 1pm6 s ARG 14 Ca -0.12 -0.90 -0.14 0.00 -0.52 0.00 0.00 55.73 54.04 1pm6 s ARG 14 Cb 0.23 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 1pm6 s ARG 14 CO 0.77 -0.87 1.08 -1.25 0.02 0.00 0.00 175.30 175.05 1pm6 s PRO 15 N 1.67 2.97 0.00 3.54 0.04 -1.26 -5.05 135.00 136.92 1pm6 s PRO 15 Ca 0.06 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1pm6 s PRO 15 Cb -0.17 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1pm6 s PRO 15 CO -0.20 -1.10 0.00 0.54 0.04 0.00 0.00 177.00 176.29 1pm6 n ARG 16 N -2.42 0.00 -3.45 4.56 1.74 -1.26 -5.11 116.66 110.72 1pm6 n ARG 16 Ca 0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1pm6 n ARG 16 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.94 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 0.14 -0.57 0.26 0.55 0.15 -1.26 -5.02 113.70 107.95 1pm6 s SER 17 Ca 0.00 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.76 1pm6 s SER 17 Cb 0.00 0.56 0.31 0.00 -1.71 0.00 0.00 66.02 65.19 1pm6 s SER 17 CO 0.00 -0.85 1.94 -0.07 1.20 0.00 0.00 173.24 175.45 1pm6 h LEU 18 N 2.22 1.10 -0.82 3.45 4.07 -1.99 -1.76 115.31 121.59 1pm6 h LEU 18 Ca -0.31 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 57.71 1pm6 h LEU 18 Cb 1.27 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.66 1pm6 h LEU 18 CO 0.37 0.79 0.47 -0.33 -1.08 0.00 0.00 178.44 178.67 1pm6 h GLU 19 N 1.30 0.79 -0.30 1.13 4.39 -1.98 -0.17 114.58 119.74 1pm6 h GLU 19 Ca 0.36 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1pm6 h GLU 19 Cb -0.13 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 1pm6 h GLU 19 CO -0.08 0.52 0.11 1.15 -1.16 0.00 0.00 179.01 179.55 1pm6 h THR 20 N 0.81 1.19 -0.52 1.13 2.02 -1.86 -0.77 112.91 114.90 1pm6 h THR 20 Ca 0.39 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 67.00 1pm6 h THR 20 Cb 0.33 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1pm6 h THR 20 CO -0.23 0.20 0.31 0.58 0.37 0.00 0.00 175.52 176.75 1pm6 h VAL 21 N 0.33 1.04 -0.81 3.16 2.07 -1.31 -1.71 116.25 119.02 1pm6 h VAL 21 Ca 0.10 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1pm6 h VAL 21 Cb 0.21 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 1pm6 h VAL 21 CO -0.01 0.11 0.45 -0.09 0.02 0.00 0.00 177.57 178.06 1pm6 h ARG 22 N 0.61 0.73 -0.71 1.57 9.65 -0.96 -1.30 114.38 123.98 1pm6 h ARG 22 Ca 0.21 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.06 1pm6 h ARG 22 Cb 0.03 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1pm6 h ARG 22 CO -0.10 0.48 0.46 -0.09 2.80 0.00 0.00 179.97 183.52 1pm6 h ARG 23 N 0.75 0.90 -1.01 0.20 2.43 -0.97 -0.89 114.38 115.80 1pm6 h ARG 23 Ca 0.39 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1pm6 h ARG 23 Cb 0.38 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1pm6 h ARG 23 CO -0.26 0.60 0.66 -1.49 -1.51 0.00 0.00 179.97 177.97 1pm6 h TRP 24 N 0.93 1.25 0.19 2.20 6.55 -0.94 -0.03 115.95 126.10 1pm6 h TRP 24 Ca 0.27 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.13 1pm6 h TRP 24 Cb -0.07 -0.42 0.00 0.00 -0.86 0.00 0.00 29.16 27.81 1pm6 h TRP 24 CO -0.03 0.75 -0.09 0.28 -1.05 0.00 0.00 178.44 178.31 1pm6 h VAL 25 N 1.32 0.91 -1.01 1.49 2.07 -1.20 0.18 116.25 120.02 1pm6 h VAL 25 Ca 0.38 -0.55 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1pm6 h VAL 25 Cb -0.08 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 1pm6 h VAL 25 CO -0.10 0.13 0.62 0.03 0.02 0.00 0.00 177.57 178.26 1pm6 h ARG 26 N -0.52 0.84 -0.01 1.57 2.47 -1.11 -1.79 114.38 115.83 1pm6 h ARG 26 Ca -0.03 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1pm6 h ARG 26 Cb 0.40 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1pm6 h ARG 26 CO 0.04 0.55 0.00 0.39 0.56 0.00 0.00 179.97 181.51 1pm6 n GLU 27 N -4.71 1.05 -3.83 0.04 -0.58 -0.03 -4.98 120.64 107.61 1pm6 n GLU 27 Ca 0.22 -0.08 -0.23 0.00 -0.42 0.00 0.00 57.16 56.64 1pm6 n GLU 27 Cb 0.49 -1.27 0.01 0.00 -0.57 0.00 0.00 31.44 30.09 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1pm6 n SER 28 N -0.68 -0.79 -1.69 1.62 2.88 -0.67 -4.90 113.62 109.39 1pm6 n SER 28 Ca 0.13 -0.92 -0.17 0.00 -1.33 0.00 0.00 58.87 56.58 1pm6 n SER 28 Cb 0.08 -3.54 0.13 0.00 -0.75 0.00 0.00 64.21 60.13 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 -4.33 2.45 -4.34 -1.46 1.74 0.03 -4.93 116.66 105.82 1pm6 n ARG 29 Ca -0.30 -3.43 -0.24 0.00 -0.77 0.00 0.00 57.85 53.10 1pm6 n ARG 29 Cb 0.68 -2.05 -0.17 0.00 -1.02 0.00 0.00 32.46 29.91 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 -3.88 0.97 -0.01 0.55 -1.09 -1.26 -1.30 121.20 115.18 1pm6 s ILE 30 Ca 0.51 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1pm6 s ILE 30 Cb 0.43 -0.93 0.01 0.00 -1.58 0.00 0.00 42.46 40.40 1pm6 s ILE 30 CO 0.01 0.33 0.01 0.12 -1.23 0.00 0.00 174.94 174.18 1pm6 s PHE 31 N 0.96 0.02 0.64 3.97 5.36 -0.09 -4.12 117.98 124.72 1pm6 s PHE 31 Ca -0.09 0.05 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 1pm6 s PHE 31 Cb -0.15 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.43 1pm6 s PHE 31 CO 0.00 -0.04 1.11 -1.25 -1.46 0.00 0.00 175.22 173.59 1pm6 s PRO 32 N 0.42 2.88 0.51 10.12 0.04 -1.26 -1.97 135.00 145.74 1pm6 s PRO 32 Ca -0.04 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 1pm6 s PRO 32 Cb -0.05 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1pm6 s PRO 32 CO -0.01 -1.19 1.19 -1.25 0.04 0.00 0.00 177.00 175.78 1pm6 s PRO 33 N -3.96 3.47 0.54 0.56 0.04 -1.26 -4.79 135.00 129.59 1pm6 s PRO 33 Ca 0.68 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 1pm6 s PRO 33 Cb -0.21 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 1pm6 s PRO 33 CO 0.39 -0.80 1.05 -1.25 0.04 0.00 0.00 177.00 176.43 1pm6 s PRO 34 N -2.93 3.56 0.03 0.56 0.04 -1.26 -4.92 135.00 130.08 1pm6 s PRO 34 Ca 0.69 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 1pm6 s PRO 34 Cb -0.30 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1pm6 s PRO 34 CO 0.35 -0.62 0.90 0.54 0.04 0.00 0.00 177.00 178.20 1pm6 s VAL 35 N -2.16 4.77 -0.58 -0.36 0.11 -0.45 -4.78 120.40 116.94 1pm6 s VAL 35 Ca 0.66 1.90 -0.28 0.00 -2.93 0.00 0.00 61.98 61.34 1pm6 s VAL 35 Cb -0.17 -4.25 0.03 0.00 -1.53 0.00 0.00 36.38 30.46 1pm6 s VAL 35 CO 0.27 0.25 1.26 -0.75 -3.33 0.00 0.00 175.10 172.81 1pm6 s LYS 36 N 0.51 3.44 0.20 1.54 2.20 -1.26 -0.57 119.74 125.79 1pm6 s LYS 36 Ca 0.46 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 56.38 1pm6 s LYS 36 Cb -0.21 -4.05 0.11 0.00 -1.51 0.00 0.00 37.83 32.17 1pm6 s LYS 36 CO 0.26 -1.77 1.47 0.22 -0.36 0.00 0.00 175.35 175.17 1pm6 h ASP 37 N 10.00 0.37 0.00 1.43 3.58 -1.88 -3.49 116.42 126.42 1pm6 h ASP 37 Ca -0.26 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1pm6 h ASP 37 Cb 1.07 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1pm6 h ASP 37 CO 1.19 0.96 0.00 0.61 -2.88 0.00 0.00 179.24 179.12 1pm6 n GLY 38 N 0.51 -0.10 0.12 -0.78 0.00 -1.26 -4.95 105.19 98.73 1pm6 n GLY 38 Ca -0.03 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 0.32 -4.55 1.61 3.08 -2.01 -3.49 114.38 109.34 1pm6 h ARG 39 Ca 0.00 -0.31 -0.22 0.00 0.07 0.00 0.00 59.98 59.52 1pm6 h ARG 39 Cb 0.00 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 29.98 1pm6 h ARG 39 CO 0.00 0.99 -0.64 -1.21 -1.07 0.00 0.00 179.97 178.04 1pm6 s GLU 40 N -3.33 1.05 -0.01 0.04 0.41 -1.26 -5.16 118.70 110.43 1pm6 s GLU 40 Ca -0.14 -1.52 -0.24 0.00 -0.41 0.00 0.00 54.97 52.66 1pm6 s GLU 40 Cb 0.03 0.14 -0.05 0.00 -1.78 0.00 0.00 34.13 32.47 1pm6 s GLU 40 CO 0.78 -0.27 0.72 0.71 -0.49 0.00 0.00 175.26 176.71 1pm6 s TYR 41 N -3.99 3.66 -0.32 1.61 2.02 -1.26 -2.62 117.35 116.45 1pm6 s TYR 41 Ca 0.28 1.35 -0.11 0.00 -0.37 0.00 0.00 57.07 58.23 1pm6 s TYR 41 Cb 0.07 -2.79 -0.01 0.00 -0.40 0.00 0.00 41.96 38.82 1pm6 s TYR 41 CO 0.05 0.20 0.18 -0.51 -1.57 0.00 0.00 175.55 173.90 1pm6 s LEU 42 N 0.31 4.23 -0.15 -1.29 1.43 0.26 -3.23 118.68 120.25 1pm6 s LEU 42 Ca 0.38 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1pm6 s LEU 42 Cb -0.19 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 1pm6 s LEU 42 CO 0.20 -0.20 0.34 -0.36 0.23 0.00 0.00 176.35 176.57 1pm6 s PHE 43 N 1.66 3.48 0.44 0.29 0.40 0.39 -1.35 117.98 123.29 1pm6 s PHE 43 Ca 0.05 0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 56.83 1pm6 s PHE 43 Cb -0.17 -2.40 -0.08 0.00 0.51 0.00 0.00 43.02 40.88 1pm6 s PHE 43 CO 0.08 0.22 1.16 -1.58 0.70 0.00 0.00 175.22 175.80 1pm6 s HIS 44 N 0.51 2.94 -1.19 0.36 2.46 -1.26 -0.13 115.29 118.97 1pm6 s HIS 44 Ca 0.19 1.54 -0.22 0.00 0.47 0.00 0.00 55.06 57.04 1pm6 s HIS 44 Cb -0.14 -3.38 -0.05 0.00 -0.13 0.00 0.00 32.58 28.88 1pm6 s HIS 44 CO 0.06 -1.43 1.89 -1.21 -2.47 0.00 0.00 174.74 171.57 1pm6 s GLU 45 N -2.59 2.80 0.00 2.88 0.41 -1.26 -1.34 118.70 119.60 1pm6 s GLU 45 Ca 0.62 -1.29 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1pm6 s GLU 45 Cb -0.29 -5.30 0.00 0.00 -1.78 0.00 0.00 34.13 26.77 1pm6 s GLU 45 CO 0.36 -3.61 0.00 0.45 -0.49 0.00 0.00 175.26 171.97 1pm6 n SER 46 N 13.15 0.00 -4.67 -0.19 2.88 -1.26 -5.13 113.62 118.39 1pm6 n SER 46 Ca 0.45 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.57 1pm6 n SER 46 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.00 3.63 0.20 -1.46 0.00 -0.45 -4.77 121.76 118.91 1pm6 s ALA 47 Ca 0.00 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.33 1pm6 s ALA 47 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1pm6 s ALA 47 CO 0.00 -1.43 -0.22 0.14 0.00 0.00 0.00 175.76 174.25 1pm6 s VAL 48 N 3.89 2.21 -0.35 0.00 -7.23 -0.83 -4.93 120.40 113.16 1pm6 s VAL 48 Ca 0.83 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 1pm6 s VAL 48 Cb -0.41 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 1pm6 s VAL 48 CO 0.38 -0.22 1.49 -1.59 -0.31 0.00 0.00 175.10 174.84 1pm6 s LYS 49 N -2.84 3.64 0.11 4.82 -2.85 -1.26 -0.91 119.74 120.45 1pm6 s LYS 49 Ca 0.21 1.19 -0.15 0.00 -1.00 0.00 0.00 55.97 56.22 1pm6 s LYS 49 Cb -0.07 -4.03 -0.07 0.00 -2.06 0.00 0.00 37.83 31.61 1pm6 s LYS 49 CO 0.10 -1.48 0.54 0.54 0.10 0.00 0.00 175.35 175.14 1pm6 s VAL 50 N 5.43 4.85 -0.13 1.79 0.11 -0.42 -4.95 120.40 127.08 1pm6 s VAL 50 Ca 0.65 0.90 -0.29 0.00 -2.93 0.00 0.00 61.98 60.31 1pm6 s VAL 50 Cb -0.17 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.89 1pm6 s VAL 50 CO 0.30 0.35 1.16 -1.81 -3.33 0.00 0.00 175.10 171.77 1pm6 s ASP 51 N -1.52 7.06 0.08 3.54 1.11 -1.26 -4.65 116.67 121.03 1pm6 s ASP 51 Ca 0.34 1.65 0.00 0.00 0.18 0.00 0.00 52.55 54.73 1pm6 s ASP 51 Cb -0.16 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1pm6 s ASP 51 CO 0.19 -0.63 0.00 -0.11 1.18 0.00 0.00 175.17 175.80 1pm6 n LEU 52 N 5.77 -0.05 -4.58 1.23 0.00 -1.26 -5.03 117.00 113.07 1pm6 n LEU 52 Ca 0.12 0.14 -0.42 0.00 0.00 0.00 0.00 56.01 55.85 1pm6 n LEU 52 Cb 0.46 0.12 -0.03 0.00 0.00 0.00 0.00 43.42 43.97 1pm6 n LEU 52 CO 0.54 -0.58 1.49 0.20 0.00 0.00 0.00 177.39 179.04 1pm6 s ASN 53 N -4.27 5.81 -0.63 1.96 -0.87 -1.26 -4.97 114.94 110.70 1pm6 s ASN 53 Ca 0.00 0.89 0.05 0.00 -1.57 0.00 0.00 52.86 52.22 1pm6 s ASN 53 Cb 0.00 -2.53 0.16 0.00 -0.02 0.00 0.00 41.25 38.86 1pm6 s ASN 53 CO 0.00 -1.85 0.44 -0.13 -2.57 0.00 0.00 177.10 172.99 1pm6 s ARG 54 N 5.92 2.13 0.05 -0.60 0.52 -1.26 -5.01 118.95 120.70 1pm6 s ARG 54 Ca 0.71 -3.03 -0.18 0.00 -0.52 0.00 0.00 55.73 52.71 1pm6 s ARG 54 Cb -0.17 -3.07 -0.17 0.00 0.52 0.00 0.00 34.95 32.06 1pm6 s ARG 54 CO 0.29 -1.28 1.25 -1.00 0.02 0.00 0.00 175.30 174.59 1pm6 h PRO 55 N 5.60 0.51 -4.36 3.54 0.13 -2.07 -3.50 132.00 131.86 1pm6 h PRO 55 Ca 0.13 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1pm6 h PRO 55 Cb 0.80 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1pm6 h PRO 55 CO 0.65 1.01 -0.25 0.28 -0.23 0.00 0.00 178.00 179.46 1pm6 n VAL 56 N -4.28 -7.26 -3.19 1.56 0.31 -1.26 -4.98 118.33 99.23 1pm6 n VAL 56 Ca -0.07 0.43 -0.46 0.00 -0.01 0.00 0.00 64.34 64.23 1pm6 n VAL 56 Cb 0.56 -5.90 -0.02 0.00 -0.91 0.00 0.00 33.84 27.57 1pm6 n VAL 56 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1pm6 s THR 57 N -2.11 5.32 0.75 2.52 -4.23 -1.26 -5.05 115.64 111.58 1pm6 s THR 57 Ca 0.13 -2.21 -0.09 0.00 -1.18 0.00 0.00 61.69 58.34 1pm6 s THR 57 Cb -0.04 -4.58 0.08 0.00 1.34 0.00 0.00 72.50 69.30 1pm6 s THR 57 CO 0.45 -1.20 1.08 -0.83 -0.54 0.00 0.00 174.62 173.58 1pm6 s GLY 58 N 2.63 1.67 -0.09 3.99 0.00 -1.26 -5.12 107.32 109.14 1pm6 s GLY 58 Ca 0.24 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1pm6 s GLY 58 CO -0.09 -0.43 -0.15 -0.45 0.00 0.00 0.00 173.10 171.98 1pm6 s SER 59 N -4.56 2.28 -0.14 1.64 0.15 -1.26 -5.14 113.70 106.67 1pm6 s SER 59 Ca 0.62 -0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 1pm6 s SER 59 Cb -0.10 -1.03 0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1pm6 s SER 59 CO 0.46 0.04 0.35 -1.48 1.20 0.00 0.00 173.24 173.81 1pm6 s LEU 60 N 0.77 0.47 -0.09 3.45 2.34 -1.26 -5.18 118.68 119.18 1pm6 s LEU 60 Ca -0.12 0.72 -0.06 0.00 0.06 0.00 0.00 54.13 54.73 1pm6 s LEU 60 Cb -0.16 1.16 0.03 0.00 -0.56 0.00 0.00 46.19 46.67 1pm6 s LEU 60 CO 0.02 -0.14 0.22 -0.22 -1.06 0.00 0.00 176.35 175.17 1pm6 s LEU 61 N 0.61 0.86 0.62 1.48 2.96 -1.26 -5.18 118.68 118.77 1pm6 s LEU 61 Ca -0.03 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 1pm6 s LEU 61 Cb -0.05 0.72 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 1pm6 s LEU 61 CO -0.04 -0.11 1.03 -1.59 -1.32 0.00 0.00 176.35 174.32 1pm6 s LYS 62 N 0.60 3.57 -0.18 1.98 0.00 -1.26 -5.10 119.74 119.36 1pm6 s LYS 62 Ca -0.04 0.77 0.01 0.00 0.00 0.00 0.00 55.97 56.71 1pm6 s LYS 62 Cb -0.05 -2.08 0.03 0.00 0.00 0.00 0.00 37.83 35.73 1pm6 s LYS 62 CO -0.03 -0.59 -0.15 -0.98 0.00 0.00 0.00 175.35 173.59 1pm6 s ARG 63 N -5.12 2.51 -0.19 1.78 1.70 -1.26 -5.13 118.95 113.24 1pm6 s ARG 63 Ca 0.55 -0.81 -0.07 0.00 -0.47 0.00 0.00 55.73 54.93 1pm6 s ARG 63 Cb -0.11 -2.43 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 1pm6 s ARG 63 CO 0.53 -0.30 0.06 0.42 -1.08 0.00 0.00 175.30 174.93 1pm6 s ILE 64 N 1.35 4.69 -0.07 4.99 -1.09 -1.26 -5.10 121.20 124.71 1pm6 s ILE 64 Ca 0.02 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1pm6 s ILE 64 Cb -0.14 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 1pm6 s ILE 64 CO -0.11 0.43 0.16 -0.60 -1.23 0.00 0.00 174.94 173.60 1pm6 s ARG 65 N 0.61 0.10 -0.01 2.79 6.06 -1.26 -5.17 118.95 122.07 1pm6 s ARG 65 Ca 0.03 0.40 -0.07 0.00 -2.50 0.00 0.00 55.73 53.60 1pm6 s ARG 65 Cb -0.13 -0.18 0.00 0.00 0.06 0.00 0.00 34.95 34.70 1pm6 s ARG 65 CO 0.01 -0.18 0.14 1.21 -2.50 0.00 0.00 175.30 173.98 1pm6 s ASN 66 N 1.28 -0.02 -0.30 -2.12 2.47 -1.26 -5.15 114.94 109.85 1pm6 s ASN 66 Ca -0.08 -0.08 -0.15 0.00 0.42 0.00 0.00 52.86 52.97 1pm6 s ASN 66 Cb -0.12 0.23 0.18 0.00 -1.45 0.00 0.00 41.25 40.10 1pm6 s ASN 66 CO -0.06 -0.29 1.16 -0.83 -3.72 0.00 0.00 177.10 173.36 1pm6 s GLY 67 N -1.01 -1.03 0.05 1.21 0.00 -1.26 -5.19 107.32 100.09 1pm6 s GLY 67 Ca -0.11 2.17 -0.04 0.00 0.00 0.00 0.00 44.72 46.74 1pm6 s GLY 67 CO 0.01 4.27 0.06 -1.59 0.00 0.00 0.00 173.10 175.85 1pm6 s LYS 68 N 2.75 0.63 -0.01 2.90 0.00 -1.26 -5.18 119.74 119.56 1pm6 s LYS 68 Ca 0.28 -0.96 0.02 0.00 0.00 0.00 0.00 55.97 55.31 1pm6 s LYS 68 Cb 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 37.83 38.08 1pm6 s LYS 68 CO -0.21 -0.15 -0.08 0.21 0.00 0.00 0.00 175.35 175.12 1pm6 s LYS 69 N -3.27 0.68 -0.02 1.78 2.47 -1.26 -5.16 119.74 114.95 1pm6 s LYS 69 Ca 0.01 -0.28 0.01 0.00 -1.56 0.00 0.00 55.97 54.15 1pm6 s LYS 69 Cb 0.03 -0.65 0.01 0.00 -1.46 0.00 0.00 37.83 35.76 1pm6 s LYS 69 CO -0.08 0.15 -0.04 0.00 0.16 0.00 0.00 175.35 175.55 1pm6 s ALA 70 N -0.10 0.51 -0.39 3.13 0.00 -1.26 -5.13 121.76 118.51 1pm6 s ALA 70 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1pm6 s ALA 70 Cb -0.04 -0.25 0.09 0.00 0.00 0.00 0.00 23.12 22.92 1pm6 s ALA 70 CO -0.00 0.04 0.18 0.21 0.00 0.00 0.00 175.76 176.19 1pm6 s LYS 71 N 0.41 2.20 0.00 0.00 2.36 -1.26 -5.39 119.74 118.07 1pm6 s LYS 71 Ca -0.05 -1.65 0.00 0.00 -2.55 0.00 0.00 55.97 51.72 1pm6 s LYS 71 Cb -0.08 -3.55 0.00 0.00 -1.05 0.00 0.00 37.83 33.14 1pm6 s LYS 71 CO -0.00 -0.97 0.30 -1.13 1.55 0.00 0.00 175.35 175.10