#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s ASP 2 N 0.00 3.05 -0.18 3.42 -1.08 -1.26 -5.01 116.67 115.61 1k73 s ASP 2 Ca 0.00 -0.92 0.16 0.00 -0.52 0.00 0.00 52.55 51.27 1k73 s ASP 2 Cb 0.00 -0.62 0.69 0.00 -1.46 0.00 0.00 42.92 41.53 1k73 s ASP 2 CO 0.00 -0.32 1.60 0.18 0.52 0.00 0.00 175.17 177.15 1k73 n LEU 3 N 5.03 4.85 -0.25 -1.34 4.77 -1.26 -4.57 117.00 124.23 1k73 n LEU 3 Ca -0.08 -2.80 -0.03 0.00 -0.03 0.00 0.00 56.01 53.07 1k73 n LEU 3 Cb 0.46 -0.60 0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1k73 n LEU 3 CO 0.13 0.69 1.09 0.77 -1.33 0.00 0.00 177.39 178.74 1k73 h SER 4 N 3.29 0.98 -0.30 -1.43 4.64 -1.99 -0.68 113.55 118.06 1k73 h SER 4 Ca 0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1k73 h SER 4 Cb 1.64 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1k73 h SER 4 CO 0.33 0.84 0.13 0.00 -0.87 0.00 0.00 176.83 177.26 1k73 h ALA 5 N 1.30 0.39 -0.90 5.18 0.00 -2.01 -2.20 119.26 121.02 1k73 h ALA 5 Ca 0.26 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1k73 h ALA 5 Cb 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1k73 h ALA 5 CO -0.03 -0.03 0.57 1.96 0.00 0.00 0.00 179.25 181.72 1k73 h GLN 6 N 0.34 1.04 -0.75 0.00 7.50 -1.82 -0.50 115.11 120.92 1k73 h GLN 6 Ca 0.10 -0.06 0.06 0.00 0.50 0.00 0.00 58.65 59.25 1k73 h GLN 6 Cb 0.16 -0.23 -0.06 0.00 0.05 0.00 0.00 27.48 27.40 1k73 h GLN 6 CO -0.01 0.69 0.45 0.87 -1.50 0.00 0.00 178.83 179.32 1k73 h LYS 7 N 1.07 0.80 -0.60 1.46 1.79 -0.63 0.50 116.57 120.96 1k73 h LYS 7 Ca 0.38 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.71 1k73 h LYS 7 Cb 0.11 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1k73 h LYS 7 CO -0.15 0.53 0.03 -0.09 -1.08 0.00 0.00 179.45 178.68 1k73 h ARG 8 N 0.83 1.02 -0.21 3.15 2.43 -0.55 -1.67 114.38 119.37 1k73 h ARG 8 Ca 0.33 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1k73 h ARG 8 Cb 0.16 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1k73 h ARG 8 CO -0.17 0.99 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.91 1k73 h LEU 9 N 0.94 0.63 -0.54 3.80 3.38 0.13 -2.90 115.31 120.76 1k73 h LEU 9 Ca 0.17 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1k73 h LEU 9 Cb 0.51 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1k73 h LEU 9 CO 0.02 1.02 0.34 0.00 0.09 0.00 0.00 178.44 179.91 1k73 h ALA 10 N 0.63 0.69 -0.76 1.53 0.00 -0.00 0.64 119.26 121.98 1k73 h ALA 10 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1k73 h ALA 10 Cb 0.87 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1k73 h ALA 10 CO 0.07 0.08 0.44 0.00 0.00 0.00 0.00 179.25 179.84 1k73 h ALA 11 N 1.22 1.06 -0.08 0.00 0.00 -1.27 0.77 119.26 120.95 1k73 h ALA 11 Ca 0.21 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1k73 h ALA 11 Cb -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1k73 h ALA 11 CO -0.07 0.11 -0.84 0.22 0.00 0.00 0.00 179.25 178.67 1k73 h ASP 12 N 0.78 0.73 -0.37 0.00 1.82 -1.20 0.36 116.42 118.54 1k73 h ASP 12 Ca 0.35 -0.51 -0.07 0.00 -0.39 0.00 0.00 57.03 56.41 1k73 h ASP 12 Cb 0.25 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 1k73 h ASP 12 CO -0.21 1.29 -0.06 1.62 -1.61 0.00 0.00 179.24 180.28 1k73 h VAL 13 N 0.38 1.27 0.00 2.25 3.04 -0.55 -2.14 116.25 120.51 1k73 h VAL 13 Ca -0.06 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 1k73 h VAL 13 Cb 1.45 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1k73 h VAL 13 CO 0.16 0.37 0.00 0.18 -1.01 0.00 0.00 177.57 177.27 1k73 n LEU 14 N -4.41 0.00 -3.55 3.16 4.77 0.23 -4.92 117.00 112.28 1k73 n LEU 14 Ca -0.02 0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 1k73 n LEU 14 Cb 0.33 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1k73 n LEU 14 CO 0.41 -0.03 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.74 1k73 n ASP 15 N -1.50 -4.08 -4.07 -1.43 -0.08 0.17 -5.01 116.55 100.55 1k73 n ASP 15 Ca 0.07 -0.84 -0.10 0.00 -1.51 0.00 0.00 54.79 52.41 1k73 n ASP 15 Cb 0.32 -4.24 -0.09 0.00 2.34 0.00 0.00 41.12 39.46 1k73 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k73 s VAL 16 N -3.51 0.08 0.42 5.18 1.01 0.10 -5.01 120.40 118.67 1k73 s VAL 16 Ca 0.28 -1.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.32 1k73 s VAL 16 Cb -0.07 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1k73 s VAL 16 CO 0.80 -0.35 1.21 -0.83 0.00 0.00 0.00 175.10 175.94 1k73 s GLY 17 N -3.02 2.87 0.34 4.51 0.00 -1.26 -4.43 107.32 106.32 1k73 s GLY 17 Ca 0.22 1.05 0.09 0.00 0.00 0.00 0.00 44.72 46.09 1k73 s GLY 17 CO 0.02 1.58 1.81 0.50 0.00 0.00 0.00 173.10 177.01 1k73 h LYS 18 N 2.50 0.67 0.00 2.90 1.57 -1.90 0.19 116.57 122.50 1k73 h LYS 18 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1k73 h LYS 18 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1k73 h LYS 18 CO 0.62 0.44 0.00 0.09 -0.57 0.00 0.00 179.45 180.03 1k73 n ASN 19 N -4.66 0.50 -0.10 0.86 3.02 -1.26 -1.78 115.26 111.84 1k73 n ASN 19 Ca 0.21 0.68 0.11 0.00 -0.03 0.00 0.00 54.58 55.55 1k73 n ASN 19 Cb 0.58 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1k73 n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k73 n ARG 20 N -2.12 0.25 -2.50 3.52 1.74 0.05 -4.92 116.66 112.68 1k73 n ARG 20 Ca 0.00 -0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 1k73 n ARG 20 Cb 0.11 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1k73 n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1k73 s VAL 21 N -2.89 3.81 -0.08 1.55 -7.23 -0.73 0.32 120.40 115.15 1k73 s VAL 21 Ca 0.11 1.58 0.03 0.00 -1.81 0.00 0.00 61.98 61.90 1k73 s VAL 21 Cb 0.17 -4.01 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1k73 s VAL 21 CO 0.77 0.28 -0.19 0.86 -0.31 0.00 0.00 175.10 176.52 1k73 s TRP 22 N -0.30 2.62 -0.16 2.82 -0.00 0.86 -4.92 118.94 119.86 1k73 s TRP 22 Ca 0.49 -0.58 -0.00 0.00 -0.00 0.00 0.00 56.10 56.01 1k73 s TRP 22 Cb -0.30 -1.69 -0.00 0.00 -0.00 0.00 0.00 33.47 31.48 1k73 s TRP 22 CO 0.35 -0.13 -0.15 -0.06 -0.00 0.00 0.00 176.95 176.97 1k73 s PHE 23 N -0.12 2.80 -0.15 5.86 0.08 -1.26 -1.85 117.98 123.33 1k73 s PHE 23 Ca -0.03 -1.09 -0.32 0.00 0.12 0.00 0.00 56.93 55.61 1k73 s PHE 23 Cb -0.14 -1.91 -0.09 0.00 -0.57 0.00 0.00 43.02 40.31 1k73 s PHE 23 CO 0.04 -0.51 2.05 -1.71 -0.10 0.00 0.00 175.22 174.98 1k73 n ASN 24 N 4.18 3.29 0.22 1.36 2.85 -0.38 -4.83 115.26 121.95 1k73 n ASN 24 Ca -0.19 0.65 0.18 0.00 -0.11 0.00 0.00 54.58 55.11 1k73 n ASN 24 Cb 0.51 -1.43 0.78 0.00 1.24 0.00 0.00 39.78 40.89 1k73 n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1k73 h PRO 25 N 11.59 0.00 -0.01 1.20 0.11 -1.97 0.97 132.00 143.88 1k73 h PRO 25 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1k73 h PRO 25 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1k73 h PRO 25 CO 0.96 0.00 -0.07 0.39 -0.21 0.00 0.00 178.00 179.07 1k73 n GLU 26 N -3.30 1.29 -1.10 1.05 1.02 -1.26 -4.05 120.64 114.29 1k73 n GLU 26 Ca 0.02 -0.67 0.02 0.00 -0.02 0.00 0.00 57.16 56.52 1k73 n GLU 26 Cb 0.49 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.56 1k73 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k73 n ARG 27 N -0.27 1.39 -0.24 3.49 1.74 0.33 -4.80 116.66 118.31 1k73 n ARG 27 Ca 0.17 -3.07 -0.04 0.00 -0.77 0.00 0.00 57.85 54.15 1k73 n ARG 27 Cb 0.32 -1.26 0.07 0.00 -1.02 0.00 0.00 32.46 30.56 1k73 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1k73 h GLN 28 N 1.21 0.84 -0.66 5.56 4.20 -1.70 0.16 115.11 124.71 1k73 h GLN 28 Ca -0.03 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.67 1k73 h GLN 28 Cb 1.31 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.85 1k73 h GLN 28 CO 0.12 0.56 0.40 0.78 -0.67 0.00 0.00 178.83 180.01 1k73 h GLY 29 N 0.87 0.95 1.00 3.46 0.00 -1.92 0.77 103.07 108.20 1k73 h GLY 29 Ca 0.27 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1k73 h GLY 29 CO -0.09 0.23 -0.36 -0.55 0.00 0.00 0.00 176.54 175.77 1k73 h ASP 30 N 0.76 0.79 0.35 0.19 3.32 -1.75 -2.58 116.42 117.49 1k73 h ASP 30 Ca 0.27 -0.50 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1k73 h ASP 30 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1k73 h ASP 30 CO -0.13 1.13 -0.37 0.40 -1.72 0.00 0.00 179.24 178.55 1k73 h ILE 31 N 0.46 1.27 -0.92 0.35 2.04 -0.50 -1.96 117.51 118.26 1k73 h ILE 31 Ca 0.03 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.59 1k73 h ILE 31 Cb 0.95 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 1k73 h ILE 31 CO 0.09 0.38 0.60 0.00 0.00 0.00 0.00 178.15 179.21 1k73 h ALA 32 N 1.60 1.32 0.00 1.87 0.00 0.84 -1.01 119.26 123.88 1k73 h ALA 32 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k73 h ALA 32 Cb 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1k73 h ALA 32 CO 0.05 0.62 0.00 -0.25 0.00 0.00 0.00 179.25 179.67 1k73 n ASP 33 N -4.39 0.00 -4.66 0.00 8.00 -0.76 -4.73 116.55 110.01 1k73 n ASP 33 Ca 0.11 0.42 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 1k73 n ASP 33 Cb 0.03 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 1k73 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k73 s ALA 34 N -2.94 3.63 -0.02 2.24 0.00 -0.39 -4.82 121.76 119.46 1k73 s ALA 34 Ca 0.13 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1k73 s ALA 34 Cb 0.16 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1k73 s ALA 34 CO 0.43 -1.29 -0.00 -0.89 0.00 0.00 0.00 175.76 174.00 1k73 n ILE 35 N 5.38 0.16 -3.95 0.00 2.08 -1.26 -4.89 119.36 116.87 1k73 n ILE 35 Ca 0.16 -0.09 -0.22 0.00 0.56 0.00 0.00 62.75 63.17 1k73 n ILE 35 Cb 0.43 -0.85 -0.04 0.00 -0.75 0.00 0.00 39.64 38.43 1k73 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1k73 s THR 36 N -2.06 3.72 0.35 1.39 -4.23 -1.26 -4.99 115.64 108.57 1k73 s THR 36 Ca -0.02 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1k73 s THR 36 Cb 0.01 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 70.90 1k73 s THR 36 CO 0.09 -0.23 2.01 0.03 -0.54 0.00 0.00 174.62 175.97 1k73 h ARG 37 N 1.38 0.81 -0.53 3.99 3.08 -1.98 0.46 114.38 121.60 1k73 h ARG 37 Ca -0.46 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.47 1k73 h ARG 37 Cb 1.25 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1k73 h ARG 37 CO 0.60 0.54 0.05 1.49 -1.07 0.00 0.00 179.97 181.58 1k73 h GLU 38 N 0.83 0.85 -0.34 0.04 4.57 -1.99 0.08 114.58 118.62 1k73 h GLU 38 Ca 0.22 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1k73 h GLU 38 Cb -0.08 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1k73 h GLU 38 CO -0.05 0.82 0.08 -0.44 -1.18 0.00 0.00 179.01 178.24 1k73 h ASP 39 N 0.80 0.45 0.26 1.04 3.32 -1.34 -1.95 116.42 119.00 1k73 h ASP 39 Ca 0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1k73 h ASP 39 Cb 0.40 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1k73 h ASP 39 CO 0.01 0.46 -0.12 0.58 -1.72 0.00 0.00 179.24 178.45 1k73 h VAL 40 N 0.48 0.73 -0.98 -1.35 2.07 0.07 -2.73 116.25 114.54 1k73 h VAL 40 Ca 0.11 -0.78 0.23 0.00 0.82 0.00 0.00 66.70 67.08 1k73 h VAL 40 Cb 0.19 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1k73 h VAL 40 CO -0.00 0.15 0.63 0.03 0.02 0.00 0.00 177.57 178.40 1k73 h ARG 41 N -0.80 0.46 -0.24 1.57 3.08 -0.82 0.31 114.38 117.93 1k73 h ARG 41 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1k73 h ARG 41 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1k73 h ARG 41 CO 0.06 0.30 0.09 1.49 -1.07 0.00 0.00 179.97 180.84 1k73 h GLU 42 N 0.47 0.37 0.00 0.04 4.81 -1.30 0.56 114.58 119.53 1k73 h GLU 42 Ca 0.54 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.63 1k73 h GLU 42 Cb 1.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1k73 h GLU 42 CO -0.26 0.43 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.06 1k73 h LEU 43 N 0.24 0.00 -0.14 1.64 3.38 -0.52 -1.97 115.31 117.93 1k73 h LEU 43 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1k73 h LEU 43 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1k73 h LEU 43 CO -0.00 0.32 -0.03 0.58 0.09 0.00 0.00 178.44 179.39 1k73 h VAL 44 N 0.00 1.29 0.00 1.22 2.07 0.06 -0.02 116.25 120.87 1k73 h VAL 44 Ca -0.00 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1k73 h VAL 44 Cb 0.67 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1k73 h VAL 44 CO 0.04 0.29 -0.02 0.44 0.02 0.00 0.00 177.57 178.34 1k73 h ASP 45 N -0.03 0.00 -0.16 0.57 3.32 -0.39 0.14 116.42 119.87 1k73 h ASP 45 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1k73 h ASP 45 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1k73 h ASP 45 CO 0.01 0.02 0.00 -0.62 -1.72 0.00 0.00 179.24 176.93 1k73 n GLU 46 N -3.23 1.85 -1.13 3.56 1.02 -0.79 -4.91 120.64 117.00 1k73 n GLU 46 Ca -0.02 -1.26 -0.05 0.00 -0.02 0.00 0.00 57.16 55.81 1k73 n GLU 46 Cb 0.14 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1k73 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k73 n GLY 47 N 1.20 0.59 0.16 0.62 0.00 0.50 -4.84 105.19 103.41 1k73 n GLY 47 Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1k73 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 h ALA 48 N 0.00 0.91 -3.24 4.61 0.00 -1.19 -3.41 119.26 116.94 1k73 h ALA 48 Ca -0.09 -0.45 -0.63 0.00 0.00 0.00 0.00 54.91 53.74 1k73 h ALA 48 Cb 0.74 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.11 1k73 h ALA 48 CO 0.14 0.61 -0.85 0.42 0.00 0.00 0.00 179.25 179.56 1k73 s ILE 49 N -3.47 1.78 0.27 0.00 1.01 -1.10 -1.24 121.20 118.44 1k73 s ILE 49 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1k73 s ILE 49 Cb 0.11 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1k73 s ILE 49 CO 0.72 0.50 0.15 -1.10 0.00 0.00 0.00 174.94 175.20 1k73 s GLN 50 N 0.88 1.46 -0.16 2.79 -0.21 -0.77 -4.49 119.66 119.16 1k73 s GLN 50 Ca -0.07 -1.81 -0.01 0.00 0.02 0.00 0.00 55.36 53.49 1k73 s GLN 50 Cb -0.15 -0.00 -0.01 0.00 1.00 0.00 0.00 33.01 33.85 1k73 s GLN 50 CO -0.01 -0.41 -0.13 0.00 -2.12 0.00 0.00 175.29 172.62 1k73 s ALA 51 N -3.78 2.58 0.85 6.09 0.00 -1.26 -0.10 121.76 126.15 1k73 s ALA 51 Ca 0.37 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1k73 s ALA 51 Cb 0.06 -1.32 0.10 0.00 0.00 0.00 0.00 23.12 21.96 1k73 s ALA 51 CO 0.16 -0.06 1.10 0.21 0.00 0.00 0.00 175.76 177.17 1k73 s LYS 52 N 0.86 1.62 0.12 0.00 2.47 0.15 -4.97 119.74 119.98 1k73 s LYS 52 Ca -0.04 1.10 -0.20 0.00 -1.56 0.00 0.00 55.97 55.27 1k73 s LYS 52 Cb -0.15 -1.83 -0.07 0.00 -1.46 0.00 0.00 37.83 34.32 1k73 s LYS 52 CO -0.00 -2.07 0.63 -0.51 0.16 0.00 0.00 175.35 173.56 1k73 s ASP 53 N -3.26 7.11 0.13 1.43 1.01 -1.26 -4.96 116.67 116.87 1k73 s ASP 53 Ca 0.63 1.35 -0.25 0.00 0.71 0.00 0.00 52.55 54.99 1k73 s ASP 53 Cb -0.19 -2.39 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1k73 s ASP 53 CO 0.57 0.22 0.76 -1.59 0.21 0.00 0.00 175.17 175.34 1k73 s LYS 54 N -1.29 4.53 0.63 8.23 -2.85 -1.26 -5.05 119.74 122.69 1k73 s LYS 54 Ca 0.33 1.11 -0.04 0.00 -1.00 0.00 0.00 55.97 56.37 1k73 s LYS 54 Cb -0.20 -3.29 0.04 0.00 -2.06 0.00 0.00 37.83 32.33 1k73 s LYS 54 CO 0.21 0.50 0.92 -1.59 0.10 0.00 0.00 175.35 175.48 1k73 s LYS 55 N -0.86 2.49 0.02 1.78 -2.85 -1.26 -5.10 119.74 113.95 1k73 s LYS 55 Ca 0.36 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1k73 s LYS 55 Cb -0.22 -2.28 -0.02 0.00 -2.06 0.00 0.00 37.83 33.25 1k73 s LYS 55 CO 0.25 -0.95 -0.02 0.20 0.10 0.00 0.00 175.35 174.93 1k73 s GLY 56 N -4.43 0.19 0.19 0.59 0.00 -1.26 -5.12 107.32 97.48 1k73 s GLY 56 Ca 0.57 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.55 1k73 s GLY 56 CO 0.43 -0.50 1.25 -1.31 0.00 0.00 0.00 173.10 172.97 1k73 s ASN 57 N -1.09 6.99 0.17 1.64 -0.87 -1.26 -4.97 114.94 115.56 1k73 s ASN 57 Ca -0.12 2.31 -0.30 0.00 -1.57 0.00 0.00 52.86 53.18 1k73 s ASN 57 Cb -0.07 -2.61 -0.08 0.00 -0.02 0.00 0.00 41.25 38.46 1k73 s ASN 57 CO -0.01 -0.45 1.34 -0.44 -2.57 0.00 0.00 177.10 174.97 1k73 s SER 58 N 0.24 6.87 -0.06 -1.22 0.01 -1.26 -4.91 113.70 113.36 1k73 s SER 58 Ca 0.55 2.38 0.16 0.00 1.31 0.00 0.00 55.95 60.35 1k73 s SER 58 Cb -0.34 -2.60 0.54 0.00 0.21 0.00 0.00 66.02 63.82 1k73 s SER 58 CO 0.37 -0.57 1.45 0.54 0.41 0.00 0.00 173.24 175.45 1k73 n ARG 59 N 3.06 3.13 0.25 12.44 1.74 -1.26 -4.65 116.66 131.37 1k73 n ARG 59 Ca 0.08 -2.55 -0.16 0.00 -0.77 0.00 0.00 57.85 54.44 1k73 n ARG 59 Cb 0.43 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 1k73 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1k73 h GLY 60 N 3.09 -0.92 2.00 -0.13 0.00 -2.00 0.68 103.07 105.80 1k73 h GLY 60 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1k73 h GLY 60 CO 0.11 -0.32 -0.12 3.21 0.00 0.00 0.00 176.54 179.42 1k73 h ARG 61 N -0.81 0.00 -0.33 4.80 3.08 -2.01 -1.92 114.38 117.19 1k73 h ARG 61 Ca -0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1k73 h ARG 61 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1k73 h ARG 61 CO -0.04 0.12 -0.06 0.00 -1.07 0.00 0.00 179.97 178.92 1k73 h ALA 62 N 1.88 0.46 -0.60 0.04 0.00 -1.71 -2.78 119.26 116.56 1k73 h ALA 62 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1k73 h ALA 62 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1k73 h ALA 62 CO 0.02 0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.61 1k73 h ARG 63 N 0.42 1.01 -0.19 0.00 3.08 -0.14 0.71 114.38 119.27 1k73 h ARG 63 Ca 0.09 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1k73 h ARG 63 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1k73 h ARG 63 CO 0.03 0.96 0.07 0.93 -1.07 0.00 0.00 179.97 180.89 1k73 h GLU 64 N 0.91 0.16 -0.01 0.04 5.08 -1.38 -0.90 114.58 118.48 1k73 h GLU 64 Ca 0.18 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1k73 h GLU 64 Cb 0.46 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1k73 h GLU 64 CO 0.02 0.11 -0.10 -0.09 -1.00 0.00 0.00 179.01 177.94 1k73 h ARG 65 N 0.17 -0.16 -1.01 2.33 2.43 -1.26 -1.81 114.38 115.06 1k73 h ARG 65 Ca 0.08 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.50 1k73 h ARG 65 Cb 0.04 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 29.51 1k73 h ARG 65 CO -0.08 -0.11 0.60 1.96 -1.51 0.00 0.00 179.97 180.84 1k73 h GLN 66 N -0.17 0.60 -0.07 0.20 4.20 -0.48 0.43 115.11 119.82 1k73 h GLN 66 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1k73 h GLN 66 Cb 0.22 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1k73 h GLN 66 CO -0.11 0.40 -0.01 0.87 -0.67 0.00 0.00 178.83 179.30 1k73 h LYS 67 N 0.62 0.13 -0.32 1.46 1.57 -0.49 -0.91 116.57 118.63 1k73 h LYS 67 Ca 0.63 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.40 1k73 h LYS 67 Cb 1.16 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1k73 h LYS 67 CO -0.45 0.46 0.08 0.87 -0.57 0.00 0.00 179.45 179.83 1k73 h LYS 68 N -0.20 0.19 0.00 3.15 1.79 -0.29 -0.87 116.57 120.35 1k73 h LYS 68 Ca 0.02 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1k73 h LYS 68 Cb 0.41 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1k73 h LYS 68 CO 0.01 0.13 -0.29 0.00 -1.08 0.00 0.00 179.45 178.22 1k73 h ARG 69 N 0.20 0.00 0.00 3.15 3.08 -0.97 0.35 114.38 120.19 1k73 h ARG 69 Ca 0.15 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 1k73 h ARG 69 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1k73 h ARG 69 CO -0.18 0.29 -0.66 0.00 -1.07 0.00 0.00 179.97 178.35 1k73 h ALA 70 N 1.71 0.86 -0.00 0.04 0.00 -0.43 -2.22 119.26 119.22 1k73 h ALA 70 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1k73 h ALA 70 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1k73 h ALA 70 CO 0.04 0.82 -0.07 1.17 0.00 0.00 0.00 179.25 181.20 1k73 n LYS 71 N -3.67 0.60 0.00 0.00 3.00 -0.40 -4.93 118.16 112.77 1k73 n LYS 71 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1k73 n LYS 71 Cb 0.67 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1k73 n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1k73 n GLY 72 N 1.28 0.67 4.00 3.14 0.00 -0.71 -5.07 105.19 108.51 1k73 n GLY 72 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1k73 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k73 s HIS 73 N -2.00 2.82 -1.34 1.61 3.76 0.03 -4.60 115.29 115.57 1k73 s HIS 73 Ca 0.00 -0.33 -0.07 0.00 -0.15 0.00 0.00 55.06 54.51 1k73 s HIS 73 Cb 0.00 -2.44 0.02 0.00 1.11 0.00 0.00 32.58 31.27 1k73 s HIS 73 CO 0.00 -0.49 1.09 1.04 -0.85 0.00 0.00 174.74 175.53 1k73 n GLN 74 N -1.93 -7.20 -1.53 1.40 6.02 -1.26 -3.44 117.38 109.45 1k73 n GLN 74 Ca 0.08 0.79 0.02 0.00 -0.01 0.00 0.00 57.00 57.89 1k73 n GLN 74 Cb 0.59 -5.79 0.01 0.00 1.02 0.00 0.00 30.24 26.07 1k73 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k73 n LYS 75 N -4.73 0.11 -1.46 -1.09 5.02 -1.26 -4.90 118.16 109.85 1k73 n LYS 75 Ca -0.07 -1.96 -0.29 0.00 -2.02 0.00 0.00 58.31 53.97 1k73 n LYS 75 Cb 0.59 -0.03 0.15 0.00 -0.02 0.00 0.00 35.03 35.72 1k73 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1k73 s GLY 76 N -1.97 1.58 0.40 0.72 0.00 -1.26 -4.77 107.32 102.02 1k73 s GLY 76 Ca 0.29 -0.54 0.21 0.00 0.00 0.00 0.00 44.72 44.68 1k73 s GLY 76 CO -0.14 0.05 1.71 0.00 0.00 0.00 0.00 173.10 174.72 1k73 h ALA 77 N -1.63 2.32 0.00 3.20 0.00 -1.99 0.58 119.26 121.74 1k73 h ALA 77 Ca -0.51 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1k73 h ALA 77 Cb 1.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1k73 h ALA 77 CO 0.59 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1k73 n GLY 78 N -1.45 -0.90 0.22 0.00 0.00 -1.26 -2.87 105.19 98.93 1k73 n GLY 78 Ca 0.30 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1k73 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k73 n SER 79 N -1.28 1.21 -4.83 1.61 7.64 0.20 -4.98 113.62 113.18 1k73 n SER 79 Ca 0.09 -1.10 -0.38 0.00 1.01 0.00 0.00 58.87 58.49 1k73 n SER 79 Cb 0.15 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1k73 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1k73 s ARG 80 N -1.32 4.03 0.00 1.43 0.52 -1.12 -4.92 118.95 117.56 1k73 s ARG 80 Ca 0.08 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 1k73 s ARG 80 Cb 0.08 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1k73 s ARG 80 CO 0.24 0.64 0.00 1.17 0.02 0.00 0.00 175.30 177.37 1k73 n LYS 81 N 1.60 2.27 -2.99 3.54 3.00 -1.26 -5.03 118.16 119.29 1k73 n LYS 81 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.96 1k73 n LYS 81 Cb 0.52 -0.99 0.01 0.00 0.00 0.00 0.00 35.03 34.56 1k73 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1k73 s GLY 82 N -3.39 1.53 0.73 3.14 0.00 -1.26 -5.07 107.32 103.00 1k73 s GLY 82 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.61 1k73 s GLY 82 CO 0.00 -0.82 1.14 1.25 0.00 0.00 0.00 173.10 174.67 1k73 s LYS 83 N -4.55 2.33 0.19 2.90 2.47 -1.26 -4.74 119.74 117.09 1k73 s LYS 83 Ca 0.47 1.47 -0.17 0.00 -1.56 0.00 0.00 55.97 56.18 1k73 s LYS 83 Cb -0.10 -1.88 0.17 0.00 -1.46 0.00 0.00 37.83 34.56 1k73 s LYS 83 CO 0.38 -1.63 1.61 0.00 0.16 0.00 0.00 175.35 175.88 1k73 h ALA 84 N -0.46 0.19 0.00 3.13 0.00 -1.97 0.17 119.26 120.32 1k73 h ALA 84 Ca -0.46 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1k73 h ALA 84 Cb 1.26 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1k73 h ALA 84 CO 0.51 -0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.00 1k73 h GLY 85 N -0.09 0.00 1.09 0.00 0.00 -1.91 -0.54 103.07 101.62 1k73 h GLY 85 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.25 1k73 h GLY 85 CO -0.63 0.00 -1.63 0.00 0.00 0.00 0.00 176.54 174.28 1k73 h ALA 86 N 2.03 0.14 -0.07 3.60 0.00 -1.06 -3.20 119.26 120.70 1k73 h ALA 86 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 54.91 53.68 1k73 h ALA 86 Cb 0.09 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1k73 h ALA 86 CO 0.00 1.01 -0.62 0.00 0.00 0.00 0.00 179.25 179.63 1k73 h ARG 87 N 0.10 0.26 -3.06 0.00 3.08 0.01 -3.42 114.38 111.36 1k73 h ARG 87 Ca -0.29 -0.19 -0.37 0.00 0.07 0.00 0.00 59.98 59.20 1k73 h ARG 87 Cb 2.08 0.03 -0.38 0.00 0.08 0.00 0.00 29.97 31.78 1k73 h ARG 87 CO 0.19 0.80 -0.70 -1.14 -1.07 0.00 0.00 179.97 178.05 1k73 s GLN 88 N -3.73 0.03 -0.37 0.04 0.74 -0.33 -5.11 119.66 110.92 1k73 s GLN 88 Ca -0.04 0.27 -0.28 0.00 0.05 0.00 0.00 55.36 55.36 1k73 s GLN 88 Cb 0.12 -0.94 -0.02 0.00 1.10 0.00 0.00 33.01 33.27 1k73 s GLN 88 CO 0.80 -0.47 1.80 1.21 -0.55 0.00 0.00 175.29 178.08 1k73 s ASN 89 N 2.22 5.81 0.40 6.67 3.84 -1.21 -4.28 114.94 128.39 1k73 s ASN 89 Ca 0.04 1.15 0.16 0.00 0.21 0.00 0.00 52.86 54.41 1k73 s ASN 89 Cb -0.14 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 39.06 1k73 s ASN 89 CO -0.07 -1.80 1.84 0.77 -2.79 0.00 0.00 177.10 175.05 1k73 h SER 90 N 13.15 0.47 -0.28 -4.21 4.64 -1.93 -0.39 113.55 125.00 1k73 h SER 90 Ca -0.32 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 60.89 1k73 h SER 90 Cb 1.17 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1k73 h SER 90 CO 1.06 0.19 -0.44 0.50 -0.87 0.00 0.00 176.83 177.27 1k73 h LYS 91 N 0.47 0.79 -0.63 4.77 3.11 -1.97 -1.89 116.57 121.22 1k73 h LYS 91 Ca 0.49 -0.48 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1k73 h LYS 91 Cb 1.12 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.36 1k73 h LYS 91 CO -0.21 1.11 0.31 1.49 -2.81 0.00 0.00 179.45 179.34 1k73 h GLU 92 N 0.55 0.89 -0.49 1.90 4.81 -1.59 -1.62 114.58 119.02 1k73 h GLU 92 Ca 0.02 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1k73 h GLU 92 Cb 1.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1k73 h GLU 92 CO 0.10 0.68 -0.12 0.22 -0.73 0.00 0.00 179.01 179.16 1k73 h ASP 93 N 0.89 0.96 -0.25 1.04 3.58 -0.94 -2.05 116.42 119.65 1k73 h ASP 93 Ca 0.22 -0.36 -0.08 0.00 0.42 0.00 0.00 57.03 57.22 1k73 h ASP 93 Cb 0.08 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1k73 h ASP 93 CO -0.03 1.10 -0.12 -0.25 -2.88 0.00 0.00 179.24 177.06 1k73 h TRP 94 N 0.81 0.72 -0.45 0.28 2.91 -0.83 -0.35 115.95 119.04 1k73 h TRP 94 Ca 0.12 -0.12 -0.12 0.00 1.13 0.00 0.00 58.89 59.90 1k73 h TRP 94 Cb 0.68 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1k73 h TRP 94 CO 0.05 0.75 -0.19 0.93 -1.03 0.00 0.00 178.44 178.94 1k73 h GLU 95 N 0.60 0.90 0.69 2.65 5.08 -1.14 0.17 114.58 123.53 1k73 h GLU 95 Ca 0.10 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1k73 h GLU 95 Cb 0.55 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1k73 h GLU 95 CO 0.03 1.01 -0.33 1.03 -1.00 0.00 0.00 179.01 179.75 1k73 h SER 96 N 0.78 -0.79 0.26 1.42 0.87 -0.84 -2.02 113.55 113.23 1k73 h SER 96 Ca 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1k73 h SER 96 Cb 0.74 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1k73 h SER 96 CO 0.06 -0.54 -0.29 0.03 -0.53 0.00 0.00 176.83 175.56 1k73 h ARG 97 N -0.96 -0.57 -0.04 2.24 3.08 -0.93 -1.67 114.38 115.53 1k73 h ARG 97 Ca -0.09 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1k73 h ARG 97 Cb 0.72 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1k73 h ARG 97 CO 0.16 -0.38 -0.03 0.97 -1.07 0.00 0.00 179.97 179.62 1k73 h ILE 98 N -0.59 1.05 -0.13 2.04 -0.00 -0.70 -1.00 117.51 118.17 1k73 h ILE 98 Ca -0.00 -0.20 -0.18 0.00 -0.00 0.00 0.00 64.86 64.48 1k73 h ILE 98 Cb 0.55 1.05 0.01 0.00 -0.00 0.00 0.00 36.82 38.43 1k73 h ILE 98 CO -0.08 0.06 -0.61 0.03 -0.00 0.00 0.00 178.15 177.56 1k73 h ARG 99 N 0.05 0.64 -0.21 2.19 3.08 -1.13 -1.85 114.38 117.15 1k73 h ARG 99 Ca 0.01 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1k73 h ARG 99 Cb 0.09 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1k73 h ARG 99 CO 0.00 1.14 0.14 0.00 -1.07 0.00 0.00 179.97 180.18 1k73 h ALA 100 N 0.51 0.27 -0.50 0.04 0.00 -0.65 0.25 119.26 119.17 1k73 h ALA 100 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1k73 h ALA 100 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1k73 h ALA 100 CO 0.13 -0.26 0.23 1.96 0.00 0.00 0.00 179.25 181.31 1k73 h GLN 101 N 0.28 0.70 -0.01 0.00 4.20 -1.20 -0.66 115.11 118.43 1k73 h GLN 101 Ca 0.08 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 1k73 h GLN 101 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1k73 h GLN 101 CO -0.02 0.55 -0.85 0.00 -0.67 0.00 0.00 178.83 177.85 1k73 h ARG 102 N 0.71 0.25 -0.25 1.46 3.08 -0.89 -2.33 114.38 116.41 1k73 h ARG 102 Ca 0.18 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1k73 h ARG 102 Cb 0.09 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1k73 h ARG 102 CO -0.02 0.96 -0.11 1.15 -1.07 0.00 0.00 179.97 180.87 1k73 h THR 103 N 0.15 1.30 0.20 2.04 2.02 -0.49 -1.45 112.91 116.68 1k73 h THR 103 Ca -0.04 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 65.97 1k73 h THR 103 Cb 1.46 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 69.36 1k73 h THR 103 CO 0.13 0.37 -0.47 0.50 0.37 0.00 0.00 175.52 176.42 1k73 h LYS 104 N 0.25 -0.73 -0.91 6.66 1.63 -1.07 -0.97 116.57 121.42 1k73 h LYS 104 Ca 0.06 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 60.05 1k73 h LYS 104 Cb 0.61 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 32.33 1k73 h LYS 104 CO 0.03 -0.49 0.58 -0.07 -3.45 0.00 0.00 179.45 176.06 1k73 h LEU 105 N -0.76 0.71 -1.07 5.20 3.38 -1.43 -0.85 115.31 120.50 1k73 h LEU 105 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1k73 h LEU 105 Cb 0.75 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1k73 h LEU 105 CO -0.22 0.36 0.30 -0.09 0.09 0.00 0.00 178.44 178.88 1k73 h ARG 106 N 0.76 0.96 -0.06 1.13 2.43 -0.26 -2.09 114.38 117.24 1k73 h ARG 106 Ca 0.46 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1k73 h ARG 106 Cb 0.67 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1k73 h ARG 106 CO -0.22 0.76 -0.36 0.93 -1.51 0.00 0.00 179.97 179.57 1k73 h GLU 107 N 0.95 0.34 -0.01 0.20 5.08 0.08 -3.00 114.58 118.22 1k73 h GLU 107 Ca 0.23 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k73 h GLU 107 Cb 0.13 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1k73 h GLU 107 CO -0.03 0.95 0.01 -0.07 -1.00 0.00 0.00 179.01 178.87 1k73 h LEU 108 N -0.17 0.00 -0.01 1.33 3.38 -1.17 0.11 115.31 118.78 1k73 h LEU 108 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1k73 h LEU 108 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1k73 h LEU 108 CO 0.07 0.00 -0.36 -0.09 0.09 0.00 0.00 178.44 178.15 1k73 h ARG 109 N 0.00 0.26 -0.42 1.13 2.43 -1.34 -1.42 114.38 115.01 1k73 h ARG 109 Ca 0.01 -0.27 -0.14 0.00 -0.81 0.00 0.00 59.98 58.77 1k73 h ARG 109 Cb 0.02 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1k73 h ARG 109 CO -0.00 0.97 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.71 1k73 h ASP 110 N -0.35 0.96 -0.07 -3.80 3.32 -1.34 -2.11 116.42 113.03 1k73 h ASP 110 Ca -0.04 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.63 1k73 h ASP 110 Cb 1.09 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1k73 h ASP 110 CO 0.07 1.18 0.09 -0.08 -1.72 0.00 0.00 179.24 178.78 1k73 h GLU 111 N 0.78 0.00 0.00 3.56 4.81 -0.84 -3.46 114.58 119.43 1k73 h GLU 111 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1k73 h GLU 111 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1k73 h GLU 111 CO 0.08 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.77 1k73 n GLY 112 N -1.30 3.10 0.35 1.92 0.00 -0.80 -4.95 105.19 103.51 1k73 n GLY 112 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 1k73 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k73 h THR 113 N 0.00 0.60 -3.95 2.61 2.02 -1.51 -3.41 112.91 109.26 1k73 h THR 113 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.62 1k73 h THR 113 Cb 0.00 0.79 -0.31 0.00 -1.74 0.00 0.00 68.15 66.89 1k73 h THR 113 CO 0.00 0.00 -0.84 -0.76 0.37 0.00 0.00 175.52 174.29 1k73 s LEU 114 N -8.13 1.93 0.40 2.58 1.43 -0.92 -5.00 118.68 110.96 1k73 s LEU 114 Ca -0.05 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 1k73 s LEU 114 Cb 0.17 -0.97 -0.10 0.00 0.03 0.00 0.00 46.19 45.32 1k73 s LEU 114 CO 0.63 0.16 0.96 -0.94 0.23 0.00 0.00 176.35 177.38 1k73 s SER 115 N -0.02 7.03 0.00 2.29 1.04 -1.26 -4.51 113.70 118.27 1k73 s SER 115 Ca -0.03 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1k73 s SER 115 Cb -0.11 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1k73 s SER 115 CO 0.02 -0.29 0.75 -1.54 0.98 0.00 0.00 173.24 173.15 1k73 n SER 116 N -0.25 0.00 -0.06 7.02 3.41 -1.26 0.02 113.62 122.49 1k73 n SER 116 Ca 0.05 0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.80 1k73 n SER 116 Cb 0.53 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 64.06 1k73 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k73 n SER 117 N -1.25 1.06 -0.03 4.04 3.41 -1.26 -2.89 113.62 116.70 1k73 n SER 117 Ca 0.00 0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 1k73 n SER 117 Cb 0.17 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1k73 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1k73 h GLN 118 N 0.01 0.15 -0.27 4.33 4.20 -0.77 -1.98 115.11 120.78 1k73 h GLN 118 Ca -0.46 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.21 1k73 h GLN 118 Cb 2.07 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 29.79 1k73 h GLN 118 CO 0.03 0.70 -0.36 -0.92 -0.67 0.00 0.00 178.83 177.61 1k73 h TYR 119 N -0.39 -1.01 -0.55 2.96 3.20 -1.34 0.59 116.97 120.44 1k73 h TYR 119 Ca -0.00 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.02 1k73 h TYR 119 Cb 0.70 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 39.37 1k73 h TYR 119 CO 0.12 -0.42 0.08 -0.09 -1.64 0.00 0.00 178.16 176.22 1k73 h ARG 120 N -0.35 0.20 -0.75 1.82 9.65 -1.51 0.62 114.38 124.04 1k73 h ARG 120 Ca 0.13 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1k73 h ARG 120 Cb 0.57 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 1k73 h ARG 120 CO -0.46 0.13 0.43 0.22 2.80 0.00 0.00 179.97 183.09 1k73 h ASP 121 N 0.20 0.93 -0.16 -3.80 1.82 -0.49 -1.23 116.42 113.69 1k73 h ASP 121 Ca 0.28 -0.08 -0.15 0.00 -0.39 0.00 0.00 57.03 56.69 1k73 h ASP 121 Cb 0.41 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1k73 h ASP 121 CO -0.40 0.74 -0.47 -0.07 -1.61 0.00 0.00 179.24 177.44 1k73 h LEU 122 N 1.04 0.69 0.24 2.28 3.38 0.37 -2.72 115.31 120.59 1k73 h LEU 122 Ca 0.27 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1k73 h LEU 122 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1k73 h LEU 122 CO -0.05 1.16 -0.39 0.22 0.09 0.00 0.00 178.44 179.47 1k73 h TYR 123 N 0.26 -1.09 -0.93 1.13 3.20 0.36 0.13 116.97 120.03 1k73 h TYR 123 Ca -0.01 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1k73 h TYR 123 Cb 1.09 0.44 -0.08 0.00 1.54 0.00 0.00 36.73 39.73 1k73 h TYR 123 CO 0.10 -0.52 0.60 -0.44 -1.64 0.00 0.00 178.16 176.26 1k73 h ASP 124 N -0.70 0.79 -0.08 -2.11 3.32 -1.28 -0.89 116.42 115.46 1k73 h ASP 124 Ca -0.00 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1k73 h ASP 124 Cb 0.68 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1k73 h ASP 124 CO -0.16 0.42 -0.38 0.11 -1.72 0.00 0.00 179.24 177.51 1k73 h LYS 125 N 0.84 0.60 -0.01 3.56 1.57 -1.01 -2.14 116.57 119.99 1k73 h LYS 125 Ca 0.46 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1k73 h LYS 125 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1k73 h LYS 125 CO -0.23 0.88 0.00 0.00 -0.57 0.00 0.00 179.45 179.54 1k73 h ALA 126 N 1.09 0.01 0.00 3.86 0.00 0.51 -1.02 119.26 123.70 1k73 h ALA 126 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k73 h ALA 126 Cb 0.88 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1k73 h ALA 126 CO 0.08 -0.37 -0.01 0.78 0.00 0.00 0.00 179.25 179.73 1k73 h GLY 127 N -0.23 0.00 -0.23 0.00 0.00 -1.18 0.67 103.07 102.11 1k73 h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k73 h GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1k73 n GLY 128 N -0.98 -0.17 2.40 4.60 0.00 -0.72 -4.93 105.19 105.39 1k73 n GLY 128 Ca -0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1k73 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 129 N 1.11 0.24 0.16 -0.02 0.00 0.23 -4.97 105.19 101.94 1k73 n GLY 129 Ca 0.19 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1k73 n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k73 h GLU 130 N -1.18 0.00 -5.27 1.61 4.39 -1.32 -3.45 114.58 109.35 1k73 h GLU 130 Ca -0.26 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.77 1k73 h GLU 130 Cb 1.17 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.52 1k73 h GLU 130 CO 0.25 0.00 -0.81 -0.06 -1.16 0.00 0.00 179.01 177.23 1k73 s PHE 131 N -3.26 2.74 0.07 4.33 0.40 -1.26 -5.01 117.98 116.00 1k73 s PHE 131 Ca 0.04 -0.90 0.23 0.00 -0.60 0.00 0.00 56.93 55.70 1k73 s PHE 131 Cb 0.08 -1.83 0.78 0.00 0.51 0.00 0.00 43.02 42.56 1k73 s PHE 131 CO 0.71 -0.37 1.76 -0.44 0.70 0.00 0.00 175.22 177.59 1k73 h ASP 132 N 6.96 0.00 -5.33 1.36 3.32 -1.92 -3.47 116.42 117.34 1k73 h ASP 132 Ca -0.27 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.91 1k73 h ASP 132 Cb 1.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1k73 h ASP 132 CO 0.54 0.25 0.51 -0.94 -1.72 0.00 0.00 179.24 177.89 1k73 s SER 133 N -6.23 -0.03 0.06 6.45 1.04 -1.26 -4.99 113.70 108.74 1k73 s SER 133 Ca 0.01 -0.70 -0.25 0.00 0.48 0.00 0.00 55.95 55.50 1k73 s SER 133 Cb 0.10 0.56 -0.16 0.00 0.10 0.00 0.00 66.02 66.61 1k73 s SER 133 CO 0.65 -1.09 1.61 0.58 0.98 0.00 0.00 173.24 175.97 1k73 h VAL 134 N 2.00 0.98 -0.56 5.02 2.07 -1.91 -1.39 116.25 122.46 1k73 h VAL 134 Ca -0.28 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.11 1k73 h VAL 134 Cb 1.23 1.14 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 1k73 h VAL 134 CO 0.34 0.06 -0.07 0.00 0.02 0.00 0.00 177.57 177.92 1k73 h ALA 135 N 0.66 0.45 -0.68 1.67 0.00 -1.99 0.34 119.26 119.71 1k73 h ALA 135 Ca -0.01 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1k73 h ALA 135 Cb 0.19 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1k73 h ALA 135 CO 0.02 -0.42 0.45 0.22 0.00 0.00 0.00 179.25 179.53 1k73 h ASP 136 N 0.05 0.71 0.22 0.00 3.58 -1.90 0.12 116.42 119.20 1k73 h ASP 136 Ca 0.28 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1k73 h ASP 136 Cb 0.43 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1k73 h ASP 136 CO -0.52 0.49 -0.11 0.25 -2.88 0.00 0.00 179.24 176.47 1k73 h LEU 137 N 0.82 -0.25 -0.68 2.28 5.85 0.63 -2.18 115.31 121.79 1k73 h LEU 137 Ca 0.27 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.89 1k73 h LEU 137 Cb 0.06 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 1k73 h LEU 137 CO -0.08 0.12 0.21 -0.33 -0.34 0.00 0.00 178.44 178.03 1k73 h GLU 138 N -0.67 0.34 -0.29 1.25 5.08 -0.06 0.82 114.58 121.04 1k73 h GLU 138 Ca -0.03 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1k73 h GLU 138 Cb 0.47 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1k73 h GLU 138 CO 0.05 0.22 0.10 0.00 -1.00 0.00 0.00 179.01 178.38 1k73 h ARG 139 N 0.35 0.22 -0.58 2.33 3.08 -0.73 -1.57 114.38 117.49 1k73 h ARG 139 Ca 0.37 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 1k73 h ARG 139 Cb 0.55 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1k73 h ARG 139 CO -0.41 0.15 0.27 -0.92 -1.07 0.00 0.00 179.97 177.99 1k73 h TYR 140 N 0.23 0.81 -0.86 3.04 3.20 -0.53 -2.57 116.97 120.29 1k73 h TYR 140 Ca 0.13 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1k73 h TYR 140 Cb 0.10 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 1k73 h TYR 140 CO -0.14 0.60 0.56 0.82 -1.64 0.00 0.00 178.16 178.36 1k73 h ILE 141 N 0.81 1.12 -0.04 1.81 2.04 0.12 -2.11 117.51 121.25 1k73 h ILE 141 Ca 0.20 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1k73 h ILE 141 Cb 0.10 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1k73 h ILE 141 CO -0.03 0.19 -0.01 0.47 0.00 0.00 0.00 178.15 178.77 1k73 n ASP 142 N -4.46 5.43 0.00 1.72 8.00 -0.97 -5.11 116.55 121.16 1k73 n ASP 142 Ca 0.12 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1k73 n ASP 142 Cb 0.14 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1k73 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81