#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ga5 s LEU -1 N 0.00 3.22 0.12 6.55 1.43 -1.26 -4.99 118.68 123.74 1ga5 s LEU -1 Ca 0.00 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 1ga5 s LEU -1 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 1ga5 s LEU -1 CO 0.00 -2.18 -0.09 -0.76 0.23 0.00 0.00 176.35 173.55 1ga5 s LEU 0 N -5.42 2.49 0.19 1.79 1.43 -1.26 -3.01 118.68 114.87 1ga5 s LEU 0 Ca 0.69 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1ga5 s LEU 0 Cb -0.24 -0.23 -0.08 0.00 0.03 0.00 0.00 46.19 45.67 1ga5 s LEU 0 CO 0.48 -0.36 0.95 0.00 0.23 0.00 0.00 176.35 177.64 1ga5 h LYS 2 N 4.74 0.65 -0.10 0.00 1.79 -1.49 0.23 116.57 122.38 1ga5 h LYS 2 Ca -0.44 -0.46 -0.18 0.00 -2.18 0.00 0.00 60.65 57.39 1ga5 h LYS 2 Cb 1.20 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1ga5 h LYS 2 CO 0.70 1.08 -0.69 0.28 -1.08 0.00 0.00 179.45 179.74 1ga5 h VAL 3 N 0.47 1.36 0.00 0.50 2.07 -1.90 -3.40 116.25 115.36 1ga5 h VAL 3 Ca -0.01 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1ga5 h VAL 3 Cb 1.23 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1ga5 h VAL 3 CO 0.13 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.34 1ga5 n GLY 5 N 0.03 0.40 3.89 0.00 0.00 0.82 -2.66 105.19 107.68 1ga5 n GLY 5 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1ga5 n GLY 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ga5 s ASP 6 N -2.07 5.14 -0.13 1.61 2.15 -1.26 -4.44 116.67 117.68 1ga5 s ASP 6 Ca 0.00 0.97 -0.32 0.00 0.43 0.00 0.00 52.55 53.62 1ga5 s ASP 6 Cb 0.00 -1.68 -0.10 0.00 -0.30 0.00 0.00 42.92 40.84 1ga5 s ASP 6 CO 0.00 -1.51 2.01 0.52 -0.17 0.00 0.00 175.17 176.02 1ga5 n VAL 7 N -3.07 0.52 -2.26 1.11 0.31 -1.26 0.14 118.33 113.82 1ga5 n VAL 7 Ca 0.07 -0.20 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 1ga5 n VAL 7 Cb 0.58 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1ga5 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ga5 s ALA 8 N 5.40 2.71 -0.02 3.52 0.00 -1.17 -4.49 121.76 127.72 1ga5 s ALA 8 Ca 0.96 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.77 1ga5 s ALA 8 Cb -0.60 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.19 1ga5 s ALA 8 CO 0.47 -0.76 0.92 -1.13 0.00 0.00 0.00 175.76 175.26 1ga5 n SER 9 N -1.26 1.60 0.00 0.00 3.41 -0.24 -4.80 113.62 112.33 1ga5 n SER 9 Ca 0.11 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1ga5 n SER 9 Cb 0.51 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1ga5 n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ga5 n GLY 10 N -0.50 0.51 3.38 5.00 0.00 -1.25 -5.03 105.19 107.30 1ga5 n GLY 10 Ca 0.02 -1.64 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 1ga5 n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ga5 s PHE 11 N -1.53 3.24 -0.22 1.61 5.36 -1.26 -1.90 117.98 123.28 1ga5 s PHE 11 Ca 0.00 -1.36 -0.07 0.00 -0.96 0.00 0.00 56.93 54.54 1ga5 s PHE 11 Cb 0.00 -4.03 -0.03 0.00 -0.34 0.00 0.00 43.02 38.62 1ga5 s PHE 11 CO 0.00 -1.26 0.05 -1.01 -1.46 0.00 0.00 175.22 171.54 1ga5 s HIS 12 N 1.99 3.12 -1.40 10.12 3.76 -0.73 -4.50 115.29 127.65 1ga5 s HIS 12 Ca 0.19 -0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 54.76 1ga5 s HIS 12 Cb -0.15 -2.15 0.04 0.00 1.11 0.00 0.00 32.58 31.42 1ga5 s HIS 12 CO -0.02 -0.17 0.95 0.66 -0.85 0.00 0.00 174.74 175.32 1ga5 n TYR 13 N 4.34 -2.32 -2.87 1.40 4.01 -1.26 -2.54 117.16 117.93 1ga5 n TYR 13 Ca -0.16 0.92 -0.19 0.00 -0.16 0.00 0.00 57.90 58.31 1ga5 n TYR 13 Cb 0.52 -4.44 0.03 0.00 -0.31 0.00 0.00 39.34 35.14 1ga5 n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ga5 n GLY 14 N -1.67 -0.32 3.64 2.72 0.00 -1.18 -3.07 105.19 105.30 1ga5 n GLY 14 Ca -0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1ga5 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ga5 s VAL 15 N -3.07 0.00 0.06 1.61 1.01 -1.05 -4.76 120.40 114.20 1ga5 s VAL 15 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1ga5 s VAL 15 Cb -0.11 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 1ga5 s VAL 15 CO 0.30 0.00 1.93 -0.76 0.00 0.00 0.00 175.10 176.57 1ga5 s LEU 16 N 1.41 4.43 0.28 3.92 1.43 -1.26 -1.78 118.68 127.11 1ga5 s LEU 16 Ca -0.09 2.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1ga5 s LEU 16 Cb -0.05 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1ga5 s LEU 16 CO -0.17 -1.04 0.14 0.00 0.23 0.00 0.00 176.35 175.51 1ga5 s ALA 17 N 4.03 1.81 0.37 4.21 0.00 -0.80 -1.23 121.76 130.16 1ga5 s ALA 17 Ca 0.86 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1ga5 s ALA 17 Cb -0.43 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1ga5 s ALA 17 CO 0.40 -0.50 0.55 0.00 0.00 0.00 0.00 175.76 176.21 1ga5 h GLU 19 N 0.71 0.69 0.25 0.00 4.39 -1.95 0.17 114.58 118.83 1ga5 h GLU 19 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1ga5 h GLU 19 Cb 1.25 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1ga5 h GLU 19 CO 0.56 0.46 -0.44 0.78 -1.16 0.00 0.00 179.01 179.21 1ga5 h GLY 20 N 0.71 -1.18 2.00 -3.84 0.00 -1.96 -1.33 103.07 97.48 1ga5 h GLY 20 Ca 0.33 0.59 -0.04 0.00 0.00 0.00 0.00 47.33 48.21 1ga5 h GLY 20 CO -0.20 -0.33 -0.19 0.00 0.00 0.00 0.00 176.54 175.82 1ga5 h LYS 22 N 0.00 -0.72 -0.14 0.00 3.64 -0.27 -1.63 116.57 117.45 1ga5 h LYS 22 Ca -0.00 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1ga5 h LYS 22 Cb 0.48 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1ga5 h LYS 22 CO 0.02 -0.42 -0.32 0.78 -2.27 0.00 0.00 179.45 177.24 1ga5 h GLY 23 N -0.93 0.30 1.02 5.01 0.00 -1.16 -2.36 103.07 104.95 1ga5 h GLY 23 Ca -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1ga5 h GLY 23 CO 0.13 0.23 0.27 -2.75 0.00 0.00 0.00 176.54 174.41 1ga5 h PHE 24 N 0.24 1.06 0.27 5.60 3.04 -1.33 -0.22 116.94 125.60 1ga5 h PHE 24 Ca 0.03 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1ga5 h PHE 24 Cb 0.69 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1ga5 h PHE 24 CO 0.01 0.82 -0.13 0.35 -2.02 0.00 0.00 178.31 177.35 1ga5 h PHE 25 N 0.99 -0.33 -0.83 0.41 3.57 -1.06 -1.28 116.94 118.41 1ga5 h PHE 25 Ca 0.23 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.85 1ga5 h PHE 25 Cb 0.22 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.98 1ga5 h PHE 25 CO 0.02 -0.00 0.43 -0.09 -2.23 0.00 0.00 178.31 176.43 1ga5 h ARG 26 N -0.69 0.62 -0.29 1.11 2.43 -1.36 0.79 114.38 116.98 1ga5 h ARG 26 Ca -0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ga5 h ARG 26 Cb 0.48 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ga5 h ARG 26 CO 0.06 0.41 0.02 -0.09 -1.51 0.00 0.00 179.97 178.86 1ga5 h ARG 27 N 0.64 0.44 0.29 0.20 2.43 -0.94 -2.29 114.38 115.14 1ga5 h ARG 27 Ca 0.44 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1ga5 h ARG 27 Cb 0.58 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1ga5 h ARG 27 CO -0.34 0.45 -0.14 0.77 -1.51 0.00 0.00 179.97 179.20 1ga5 h SER 28 N 0.43 -0.33 0.43 -3.80 0.02 0.36 -3.31 113.55 107.35 1ga5 h SER 28 Ca 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ga5 h SER 28 Cb 0.25 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ga5 h SER 28 CO 0.00 0.03 0.00 2.30 -1.14 0.00 0.00 176.83 178.03 1ga5 n ILE 29 N -4.53 0.64 -1.75 3.27 -5.35 -0.73 -2.32 119.36 108.59 1ga5 n ILE 29 Ca -0.05 0.16 -0.25 0.00 -0.27 0.00 0.00 62.75 62.34 1ga5 n ILE 29 Cb 0.15 -0.87 0.06 0.00 -1.74 0.00 0.00 39.64 37.24 1ga5 n ILE 29 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ga5 n GLN 30 N -1.37 3.14 -3.85 6.28 6.02 -0.86 -4.99 117.38 121.74 1ga5 n GLN 30 Ca 0.06 -3.80 -0.07 0.00 -0.01 0.00 0.00 57.00 53.19 1ga5 n GLN 30 Cb 0.16 -2.23 -0.01 0.00 1.02 0.00 0.00 30.24 29.18 1ga5 n GLN 30 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1ga5 s GLN 31 N -3.63 1.82 -0.94 -1.09 0.00 -0.98 -4.91 119.66 109.94 1ga5 s GLN 31 Ca 0.55 -1.03 -0.21 0.00 -0.00 0.00 0.00 55.36 54.66 1ga5 s GLN 31 Cb 0.44 0.60 -0.12 0.00 0.00 0.00 0.00 33.01 33.94 1ga5 s GLN 31 CO 0.02 -0.84 1.95 0.09 0.00 0.00 0.00 175.29 176.51 1ga5 n ASN 32 N -0.58 2.85 -4.52 12.60 4.13 -1.26 -4.88 115.26 123.60 1ga5 n ASN 32 Ca -0.05 -2.71 -0.27 0.00 1.68 0.00 0.00 54.58 53.23 1ga5 n ASN 32 Cb 0.59 -1.31 -0.16 0.00 -1.54 0.00 0.00 39.78 37.36 1ga5 n ASN 32 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ga5 n ILE 33 N 6.28 -0.01 -3.19 2.41 5.41 -1.26 -4.80 119.36 124.21 1ga5 n ILE 33 Ca 0.49 -0.40 -0.23 0.00 1.00 0.00 0.00 62.75 63.61 1ga5 n ILE 33 Cb 0.42 -0.80 -0.06 0.00 -0.71 0.00 0.00 39.64 38.49 1ga5 n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ga5 n GLN 33 N 7.29 0.74 -2.54 0.38 1.13 -1.26 -5.11 117.38 118.01 1ga5 n GLN 33 Ca 0.60 -3.23 -0.42 0.00 -1.94 0.00 0.00 57.00 52.01 1ga5 n GLN 33 Cb 0.21 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.25 1ga5 n GLN 33 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ga5 s TYR 34 N -1.34 3.55 0.13 1.08 4.12 -1.26 -4.97 117.35 118.66 1ga5 s TYR 34 Ca 0.36 1.50 -0.35 0.00 0.02 0.00 0.00 57.07 58.59 1ga5 s TYR 34 Cb 0.19 -3.28 -0.15 0.00 -1.52 0.00 0.00 41.96 37.20 1ga5 s TYR 34 CO -0.11 -0.70 1.52 1.63 0.02 0.00 0.00 175.55 177.92 1ga5 n LYS 35 N 3.67 1.85 -1.57 -0.62 4.01 -1.26 -4.85 118.16 119.40 1ga5 n LYS 35 Ca 0.07 0.67 -0.43 0.00 -0.51 0.00 0.00 58.31 58.10 1ga5 n LYS 35 Cb 0.48 -2.40 -0.01 0.00 -0.51 0.00 0.00 35.03 32.59 1ga5 n LYS 35 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1ga5 n ARG 36 N 3.26 1.19 -1.66 1.97 0.00 -1.26 -4.48 116.66 115.68 1ga5 n ARG 36 Ca 0.18 0.42 -0.47 0.00 -0.00 0.00 0.00 57.85 57.97 1ga5 n ARG 36 Cb 0.26 -1.81 -0.05 0.00 -0.00 0.00 0.00 32.46 30.86 1ga5 n ARG 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ga5 n LEU 38 N 3.95 0.00 -3.10 0.00 4.77 -1.26 -4.39 117.00 116.98 1ga5 n LEU 38 Ca 0.18 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 56.03 1ga5 n LEU 38 Cb 0.27 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1ga5 n LEU 38 CO 0.65 -0.01 -0.15 0.29 -1.33 0.00 0.00 177.39 176.85 1ga5 n LYS 39 N -1.05 0.88 -2.92 3.23 5.02 -1.26 -4.98 118.16 117.08 1ga5 n LYS 39 Ca 0.19 -3.02 -0.13 0.00 -2.02 0.00 0.00 58.31 53.33 1ga5 n LYS 39 Cb 0.11 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1ga5 n LYS 39 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ga5 n ASN 40 N 0.74 -4.24 -1.53 4.39 2.04 -1.26 -4.20 115.26 111.19 1ga5 n ASN 40 Ca 0.20 -0.24 -0.01 0.00 -0.44 0.00 0.00 54.58 54.10 1ga5 n ASN 40 Cb 0.62 -2.94 -0.00 0.00 -2.53 0.00 0.00 39.78 34.93 1ga5 n ASN 40 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1ga5 n GLU 41 N -2.77 -1.00 -1.82 -3.83 1.02 -1.26 -4.60 120.64 106.38 1ga5 n GLU 41 Ca -0.02 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 1ga5 n GLU 41 Cb 0.55 -0.07 0.05 0.00 -0.02 0.00 0.00 31.44 31.94 1ga5 n GLU 41 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ga5 n ASN 42 N 0.74 1.41 -4.72 1.62 4.13 -1.26 -5.02 115.26 112.16 1ga5 n ASN 42 Ca 0.00 -2.26 -0.42 0.00 1.68 0.00 0.00 54.58 53.58 1ga5 n ASN 42 Cb 0.01 -0.37 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 1ga5 n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ga5 s SER 44 N 1.21 4.35 -0.29 0.00 1.04 -1.26 -4.88 113.70 113.88 1ga5 s SER 44 Ca 0.71 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 59.00 1ga5 s SER 44 Cb -0.44 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.24 1ga5 s SER 44 CO 0.31 -2.14 0.07 -0.63 0.98 0.00 0.00 173.24 171.83 1ga5 s ILE 45 N -2.86 1.01 0.29 -1.02 -1.09 -1.26 -4.86 121.20 111.41 1ga5 s ILE 45 Ca 0.62 -1.33 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1ga5 s ILE 45 Cb -0.18 -1.67 -0.05 0.00 -1.58 0.00 0.00 42.46 38.98 1ga5 s ILE 45 CO 0.56 -0.53 0.10 0.68 -1.23 0.00 0.00 174.94 174.51 1ga5 s VAL 46 N 1.57 0.68 0.21 2.92 -7.23 -1.26 -4.34 120.40 112.95 1ga5 s VAL 46 Ca 0.06 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 1ga5 s VAL 46 Cb -0.18 -2.64 0.21 0.00 0.56 0.00 0.00 36.38 34.34 1ga5 s VAL 46 CO -0.19 0.00 1.64 0.08 -0.31 0.00 0.00 175.10 176.32 1ga5 h ARG 47 N 2.25 0.02 -0.31 4.82 -0.00 -1.86 0.64 114.38 119.95 1ga5 h ARG 47 Ca -0.38 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.57 1ga5 h ARG 47 Cb 1.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 31.20 1ga5 h ARG 47 CO 0.61 0.02 0.06 0.82 -0.00 0.00 0.00 179.97 181.48 1ga5 h ILE 48 N 0.02 1.15 0.00 0.08 2.04 -1.97 -3.31 117.51 115.52 1ga5 h ILE 48 Ca 0.30 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ga5 h ILE 48 Cb 0.46 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1ga5 h ILE 48 CO -0.60 0.19 -0.03 -0.46 0.00 0.00 0.00 178.15 177.26 1ga5 n ASN 49 N -4.36 1.92 0.24 1.72 0.23 -0.81 -4.82 115.26 109.38 1ga5 n ASN 49 Ca 0.01 -2.40 0.14 0.00 -0.53 0.00 0.00 54.58 51.80 1ga5 n ASN 49 Cb 0.18 -0.19 0.74 0.00 -2.08 0.00 0.00 39.78 38.43 1ga5 n ASN 49 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1ga5 h ARG 50 N 0.00 0.00 -0.00 -3.83 0.11 -0.99 -1.09 114.38 108.58 1ga5 h ARG 50 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ga5 h ARG 50 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1ga5 h ARG 50 CO 0.00 0.00 -0.90 0.09 0.10 0.00 0.00 179.97 179.26 1ga5 n ASN 51 N -2.55 1.05 -0.29 0.08 4.13 -1.26 -4.51 115.26 111.91 1ga5 n ASN 51 Ca -0.02 -0.98 -0.03 0.00 1.68 0.00 0.00 54.58 55.23 1ga5 n ASN 51 Cb 0.18 0.88 0.12 0.00 -1.54 0.00 0.00 39.78 39.42 1ga5 n ASN 51 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1ga5 h ARG 52 N 0.23 1.16 -3.62 3.52 3.08 -1.56 -3.40 114.38 113.80 1ga5 h ARG 52 Ca 0.00 -0.14 -0.55 0.00 0.07 0.00 0.00 59.98 59.36 1ga5 h ARG 52 Cb 0.52 -0.22 -0.40 0.00 0.08 0.00 0.00 29.97 29.95 1ga5 h ARG 52 CO 0.00 0.86 -0.76 0.00 -1.07 0.00 0.00 179.97 179.00 1ga5 h GLN 54 N 8.17 -0.14 -0.77 0.00 4.20 -1.88 -1.94 115.11 122.75 1ga5 h GLN 54 Ca -0.16 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.74 1ga5 h GLN 54 Cb 1.08 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.77 1ga5 h GLN 54 CO 0.39 0.12 0.18 1.96 -0.67 0.00 0.00 178.83 180.81 1ga5 h GLN 55 N -0.38 0.24 0.44 1.46 1.08 -1.91 -0.41 115.11 115.64 1ga5 h GLN 55 Ca -0.01 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1ga5 h GLN 55 Cb 0.32 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1ga5 h GLN 55 CO 0.02 0.16 -0.21 0.00 -0.95 0.00 0.00 178.83 177.85 1ga5 h ARG 57 N -0.95 -0.00 -0.62 0.00 2.43 -0.76 1.16 114.38 115.64 1ga5 h ARG 57 Ca -0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1ga5 h ARG 57 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1ga5 h ARG 57 CO 0.10 -0.00 0.27 0.35 -1.51 0.00 0.00 179.97 179.18 1ga5 h PHE 58 N -0.00 0.91 -0.41 2.20 3.57 -1.12 -0.81 116.94 121.27 1ga5 h PHE 58 Ca 0.34 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1ga5 h PHE 58 Cb 0.52 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1ga5 h PHE 58 CO -0.58 0.71 0.27 -0.22 -2.23 0.00 0.00 178.31 176.26 1ga5 h LYS 59 N 0.85 0.46 0.00 1.11 3.64 0.20 0.72 116.57 123.55 1ga5 h LYS 59 Ca 0.21 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1ga5 h LYS 59 Cb 0.16 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1ga5 h LYS 59 CO -0.02 0.31 -0.54 -0.22 -2.27 0.00 0.00 179.45 176.71 1ga5 h LYS 60 N 0.48 0.00 0.18 1.90 1.63 0.21 -1.29 116.57 119.68 1ga5 h LYS 60 Ca 0.16 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1ga5 h LYS 60 Cb 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1ga5 h LYS 60 CO -0.04 0.54 -0.09 0.00 -3.45 0.00 0.00 179.45 176.41 1ga5 h LEU 62 N -0.58 0.73 -1.22 0.00 3.38 -1.45 -2.60 115.31 113.56 1ga5 h LEU 62 Ca -0.03 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ga5 h LEU 62 Cb 0.43 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1ga5 h LEU 62 CO 0.04 0.87 0.56 -1.28 0.09 0.00 0.00 178.44 178.71 1ga5 h SER 63 N 0.67 0.82 0.14 -0.43 0.87 -1.10 -1.97 113.55 112.56 1ga5 h SER 63 Ca 0.11 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ga5 h SER 63 Cb 0.58 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1ga5 h SER 63 CO 0.04 0.52 -0.08 1.33 -0.53 0.00 0.00 176.83 178.11 1ga5 n VAL 64 N -4.49 0.00 0.00 2.23 0.24 -0.83 -4.93 118.33 110.55 1ga5 n VAL 64 Ca 0.13 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ga5 n VAL 64 Cb 0.23 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1ga5 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ga5 n GLY 65 N 1.20 0.85 3.78 7.63 0.00 -0.74 -4.99 105.19 112.92 1ga5 n GLY 65 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1ga5 n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ga5 s MET 66 N -0.33 3.89 -0.30 1.61 -1.94 -0.99 -4.83 119.30 116.41 1ga5 s MET 66 Ca 0.00 1.67 -0.31 0.00 -1.71 0.00 0.00 55.69 55.33 1ga5 s MET 66 Cb 0.00 -2.43 0.19 0.00 2.01 0.00 0.00 34.83 34.60 1ga5 s MET 66 CO 0.00 -0.42 1.39 -1.54 -0.01 0.00 0.00 175.02 174.45 1ga5 s SER 67 N -1.46 -0.01 0.40 3.03 1.04 -1.17 -4.49 113.70 111.03 1ga5 s SER 67 Ca 0.62 0.01 0.09 0.00 0.48 0.00 0.00 55.95 57.15 1ga5 s SER 67 Cb -0.26 0.01 0.82 0.00 0.10 0.00 0.00 66.02 66.68 1ga5 s SER 67 CO 0.32 -0.01 1.95 0.08 0.98 0.00 0.00 173.24 176.55 1ga5 h ARG 68 N 2.01 0.27 -0.95 4.02 0.11 -1.96 -2.52 114.38 115.37 1ga5 h ARG 68 Ca -0.06 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 1ga5 h ARG 68 Cb 1.17 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 32.17 1ga5 h ARG 68 CO 0.20 0.36 0.09 -0.25 0.10 0.00 0.00 179.97 180.47 1ga5 n ASP 69 N -4.32 2.72 0.00 0.08 8.00 -1.26 -2.80 116.55 118.97 1ga5 n ASP 69 Ca -0.00 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.17 1ga5 n ASP 69 Cb 0.23 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1ga5 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ga5 n ALA 70 N 0.12 1.39 -1.51 2.24 0.00 -0.95 -5.09 120.51 116.71 1ga5 n ALA 70 Ca 0.11 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 1ga5 n ALA 70 Cb 0.65 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.15 1ga5 n ALA 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ga5 n VAL 71 N -0.00 2.95 -3.95 0.00 0.31 -1.12 -3.11 118.33 113.40 1ga5 n VAL 71 Ca 0.00 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.75 1ga5 n VAL 71 Cb 0.11 -0.91 -0.11 0.00 -0.91 0.00 0.00 33.84 32.02 1ga5 n VAL 71 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1ga5 s ARG 72 N -2.53 0.36 -0.14 5.55 3.52 -1.26 -4.83 118.95 119.61 1ga5 s ARG 72 Ca 0.72 -0.56 0.15 0.00 -0.13 0.00 0.00 55.73 55.91 1ga5 s ARG 72 Cb -0.42 0.13 0.33 0.00 -1.56 0.00 0.00 34.95 33.44 1ga5 s ARG 72 CO 0.51 -0.07 1.17 1.19 -0.81 0.00 0.00 175.30 177.29 1ga5 n PHE 73 N 1.54 0.00 0.00 5.12 3.01 -1.26 -4.95 117.46 120.92 1ga5 n PHE 73 Ca -0.24 -1.08 0.00 0.00 1.01 0.00 0.00 57.45 57.14 1ga5 n PHE 73 Cb 0.55 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1ga5 n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ga5 n GLY 74 N -1.05 -1.16 0.00 1.37 0.00 -1.26 -5.26 105.19 97.83 1ga5 n GLY 74 Ca 0.15 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1ga5 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86