#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g47 n ALA 2 N 0.00 0.73 -2.84 -5.12 0.00 -1.26 -5.13 120.51 106.89 1g47 n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1g47 n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1g47 n ALA 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g47 s ASN 3 N -2.07 5.85 0.00 0.00 4.22 -1.26 -5.09 114.94 116.59 1g47 s ASN 3 Ca 0.00 0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.78 1g47 s ASN 3 Cb 0.00 -1.66 0.00 0.00 1.28 0.00 0.00 41.25 40.87 1g47 s ASN 3 CO 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 177.10 175.19 1g47 n ALA 4 N 0.11 0.00 -3.61 3.54 0.00 -1.26 -4.96 120.51 114.33 1g47 n ALA 4 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1g47 n ALA 4 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 1g47 n ALA 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g47 n LEU 5 N 0.00 -3.29 0.07 0.00 4.32 -1.26 -4.93 117.00 111.91 1g47 n LEU 5 Ca 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 56.01 55.04 1g47 n LEU 5 Cb 0.00 -2.47 -0.01 0.00 -1.62 0.00 0.00 43.42 39.32 1g47 n LEU 5 CO 0.00 0.32 0.32 0.00 -1.22 0.00 0.00 177.39 176.81 1g47 h ALA 6 N 0.76 -0.68 -1.12 -1.18 0.00 -2.01 -3.47 119.26 111.57 1g47 h ALA 6 Ca -0.61 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.42 1g47 h ALA 6 Cb 1.33 0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.97 1g47 h ALA 6 CO 0.46 -0.66 0.10 -1.12 0.00 0.00 0.00 179.25 178.03 1g47 s SER 7 N -2.83 -0.74 1.10 0.00 0.01 -1.26 -5.02 113.70 104.96 1g47 s SER 7 Ca -0.03 0.89 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 1g47 s SER 7 Cb 0.00 1.79 0.25 0.00 0.21 0.00 0.00 66.02 68.27 1g47 s SER 7 CO 0.08 -0.14 1.19 0.00 0.41 0.00 0.00 173.24 174.78 1g47 s ALA 8 N 2.63 1.28 0.21 1.44 0.00 -1.25 -4.77 121.76 121.29 1g47 s ALA 8 Ca -0.01 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.01 1g47 s ALA 8 Cb -0.08 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1g47 s ALA 8 CO -0.17 -3.10 -0.18 0.95 0.00 0.00 0.00 175.76 173.25 1g47 s THR 9 N -3.36 2.02 0.89 0.00 -4.23 -1.26 -1.86 115.64 107.85 1g47 s THR 9 Ca 0.72 -2.14 -0.10 0.00 -1.18 0.00 0.00 61.69 58.99 1g47 s THR 9 Cb -0.08 -2.05 0.13 0.00 1.34 0.00 0.00 72.50 71.85 1g47 s THR 9 CO 0.55 -0.39 1.12 0.00 -0.54 0.00 0.00 174.62 175.35 1g47 h GLU 11 N -1.69 -0.33 0.12 0.00 4.57 -1.79 -1.33 114.58 114.13 1g47 h GLU 11 Ca -0.45 0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.53 1g47 h GLU 11 Cb 1.26 0.07 0.02 0.00 -0.16 0.00 0.00 28.75 29.95 1g47 h GLU 11 CO 0.46 -0.22 -0.94 -0.09 -1.18 0.00 0.00 179.01 177.04 1g47 h ARG 12 N -0.81 0.43 0.00 1.92 1.12 -1.85 -3.34 114.38 111.84 1g47 h ARG 12 Ca -0.03 -0.62 -0.04 0.00 -1.11 0.00 0.00 59.98 58.18 1g47 h ARG 12 Cb 0.26 0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 1g47 h ARG 12 CO 0.06 1.27 -1.04 0.00 -3.11 0.00 0.00 179.97 177.14 1g47 n LYS 14 N -2.75 -6.45 -3.19 0.00 4.76 -0.50 -4.81 118.16 105.22 1g47 n LYS 14 Ca -0.02 0.70 -0.40 0.00 -2.87 0.00 0.00 58.31 55.72 1g47 n LYS 14 Cb 0.61 -5.63 -0.07 0.00 -1.84 0.00 0.00 35.03 28.10 1g47 n LYS 14 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1g47 s GLY 15 N -3.43 1.94 -0.60 0.72 0.00 -1.26 -4.36 107.32 100.33 1g47 s GLY 15 Ca 0.56 -0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.58 1g47 s GLY 15 CO 0.79 1.25 2.42 0.61 0.00 0.00 0.00 173.10 178.17 1g47 n GLY 16 N 4.08 0.05 0.86 0.20 0.00 -1.26 -2.01 105.19 107.10 1g47 n GLY 16 Ca -0.03 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 1g47 n GLY 16 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1g47 n PHE 17 N 16.65 -1.64 0.02 1.61 1.16 -0.78 -4.98 117.46 129.50 1g47 n PHE 17 Ca 0.41 -0.51 0.00 0.00 -1.87 0.00 0.00 57.45 55.48 1g47 n PHE 17 Cb 0.49 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 1g47 n PHE 17 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1g47 n ALA 18 N -2.77 0.00 -1.65 1.98 0.00 -1.26 -3.84 120.51 112.98 1g47 n ALA 18 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1g47 n ALA 18 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.66 1g47 n ALA 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1g47 n PRO 19 N -2.57 0.99 0.09 0.00 -0.02 -1.26 -4.49 135.00 127.74 1g47 n PRO 19 Ca 0.00 0.40 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 1g47 n PRO 19 Cb 0.00 -2.50 0.35 0.00 -0.02 0.00 0.00 33.50 31.33 1g47 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g47 n ALA 20 N -2.07 1.18 0.04 3.55 0.00 -1.26 0.13 120.51 122.09 1g47 n ALA 20 Ca 0.16 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 1g47 n ALA 20 Cb 0.48 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 1g47 n ALA 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1g47 h GLU 21 N 0.00 0.29 0.08 0.00 4.22 -2.03 -3.39 114.58 113.76 1g47 h GLU 21 Ca 0.00 -0.49 -0.37 0.00 0.08 0.00 0.00 59.36 58.58 1g47 h GLU 21 Cb 0.08 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1g47 h GLU 21 CO 0.00 1.24 -2.12 1.63 -2.18 0.00 0.00 179.01 177.58 1g47 n LYS 22 N -4.07 0.72 -2.67 1.92 5.02 -0.81 -4.63 118.16 113.64 1g47 n LYS 22 Ca -0.17 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1g47 n LYS 22 Cb 0.85 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1g47 n LYS 22 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1g47 s ILE 23 N -2.55 4.68 -0.20 -0.18 -1.16 0.35 -4.31 121.20 117.84 1g47 s ILE 23 Ca -0.25 1.98 -0.04 0.00 -0.51 0.00 0.00 60.65 61.83 1g47 s ILE 23 Cb 0.07 -4.27 0.08 0.00 0.61 0.00 0.00 42.46 38.96 1g47 s ILE 23 CO 0.73 0.18 0.17 -0.69 -2.81 0.00 0.00 174.94 172.52 1g47 s VAL 24 N 0.82 -0.22 0.10 4.00 1.01 -0.00 -4.47 120.40 121.63 1g47 s VAL 24 Ca 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1g47 s VAL 24 Cb -0.23 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1g47 s VAL 24 CO 0.29 -0.28 0.29 0.21 0.00 0.00 0.00 175.10 175.61 1g47 s ASN 25 N 2.24 6.42 -0.24 3.32 2.47 -1.26 0.12 114.94 128.02 1g47 s ASN 25 Ca 0.05 0.42 -0.12 0.00 0.42 0.00 0.00 52.86 53.64 1g47 s ASN 25 Cb -0.16 -2.02 0.08 0.00 -1.45 0.00 0.00 41.25 37.70 1g47 s ASN 25 CO -0.14 0.11 0.56 -0.94 -3.72 0.00 0.00 177.10 172.98 1g47 s SER 26 N -2.47 -0.76 0.00 -4.21 1.04 -0.50 -4.87 113.70 101.93 1g47 s SER 26 Ca 0.38 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1g47 s SER 26 Cb -0.13 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.25 1g47 s SER 26 CO 0.26 -0.22 0.00 0.59 0.98 0.00 0.00 173.24 174.85 1g47 n ASN 27 N 4.50 0.00 0.00 7.02 3.02 -1.26 -1.98 115.26 126.56 1g47 n ASN 27 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1g47 n ASN 27 Cb 0.56 -2.22 0.00 0.00 -0.61 0.00 0.00 39.78 37.51 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g47 n GLY 28 N -2.00 1.21 3.92 7.41 0.00 -1.26 -4.28 105.19 110.19 1g47 n GLY 28 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1g47 n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g47 s GLU 29 N 0.00 1.40 -0.04 1.61 2.12 -0.84 -5.05 118.70 117.91 1g47 s GLU 29 Ca 0.00 -0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.15 1g47 s GLU 29 Cb 0.00 -1.95 -0.02 0.00 0.26 0.00 0.00 34.13 32.41 1g47 s GLU 29 CO 0.00 -1.90 -0.17 -0.51 -0.54 0.00 0.00 175.26 172.14 1g47 s LEU 30 N -5.65 2.57 0.20 2.70 2.01 -1.26 -1.42 118.68 117.83 1g47 s LEU 30 Ca 0.67 -0.27 -0.07 0.00 0.01 0.00 0.00 54.13 54.47 1g47 s LEU 30 Cb -0.08 -1.50 -0.02 0.00 0.01 0.00 0.00 46.19 44.60 1g47 s LEU 30 CO 0.50 0.33 0.28 -0.31 1.01 0.00 0.00 176.35 178.16 1g47 s TYR 31 N -0.72 0.65 0.44 0.29 1.51 0.32 -2.05 117.35 117.80 1g47 s TYR 31 Ca 0.11 -0.97 0.06 0.00 -1.01 0.00 0.00 57.07 55.27 1g47 s TYR 31 Cb -0.10 -0.17 0.08 0.00 -0.11 0.00 0.00 41.96 41.66 1g47 s TYR 31 CO 0.00 -0.76 0.61 0.72 -1.11 0.00 0.00 175.55 175.01 1g47 n HIS 32 N -0.27 -2.55 0.93 2.71 8.25 -1.26 -0.82 115.22 122.21 1g47 n HIS 32 Ca -0.03 -1.53 0.11 0.00 -0.26 0.00 0.00 57.72 56.02 1g47 n HIS 32 Cb 0.64 -0.42 0.54 0.00 1.12 0.00 0.00 29.99 31.86 1g47 n HIS 32 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1g47 n GLU 33 N -1.99 0.14 -2.68 -0.41 4.71 -1.26 -3.53 120.64 115.63 1g47 n GLU 33 Ca 0.12 0.09 -0.09 0.00 -0.01 0.00 0.00 57.16 57.27 1g47 n GLU 33 Cb 0.44 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.42 1g47 n GLU 33 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1g47 n GLN 34 N -1.41 1.15 0.00 3.49 6.02 -1.26 -3.35 117.38 122.02 1g47 n GLN 34 Ca 0.08 -3.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 1g47 n GLN 34 Cb 0.23 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1g47 n GLN 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g47 n PHE 36 N -0.17 1.24 -4.36 0.00 3.01 -1.26 -4.70 117.46 111.23 1g47 n PHE 36 Ca 0.00 0.47 -0.25 0.00 1.01 0.00 0.00 57.45 58.67 1g47 n PHE 36 Cb 0.00 -2.42 -0.09 0.00 -0.01 0.00 0.00 39.48 36.96 1g47 n PHE 36 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1g47 s VAL 37 N 7.47 2.42 -0.19 -4.37 -7.23 -1.26 -0.15 120.40 117.09 1g47 s VAL 37 Ca 1.17 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 59.21 1g47 s VAL 37 Cb -1.12 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 1g47 s VAL 37 CO 0.54 -0.13 0.54 0.00 -0.31 0.00 0.00 175.10 175.74 1g47 n ALA 39 N 4.78 1.07 -0.01 0.00 0.00 0.16 0.13 120.51 126.64 1g47 n ALA 39 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1g47 n ALA 39 Cb 0.50 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 1g47 n ALA 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g47 n GLN 40 N -1.34 0.11 0.00 0.00 6.02 -1.26 -4.71 117.38 116.20 1g47 n GLN 40 Ca 0.00 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.17 1g47 n GLN 40 Cb 0.02 -0.56 0.47 0.00 1.02 0.00 0.00 30.24 31.19 1g47 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g47 n PHE 42 N -1.35 -0.25 -2.24 0.00 3.72 0.35 -4.85 117.46 112.84 1g47 n PHE 42 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 1g47 n PHE 42 Cb 0.32 -3.40 -0.03 0.00 -0.94 0.00 0.00 39.48 35.44 1g47 n PHE 42 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1g47 s GLN 43 N -3.90 4.23 0.39 -1.08 0.74 -1.26 -4.34 119.66 114.44 1g47 s GLN 43 Ca 0.00 1.90 -0.19 0.00 0.05 0.00 0.00 55.36 57.12 1g47 s GLN 43 Cb 0.00 -3.79 -0.10 0.00 1.10 0.00 0.00 33.01 30.22 1g47 s GLN 43 CO 0.00 -0.71 0.88 -0.65 -0.55 0.00 0.00 175.29 174.26 1g47 s GLN 44 N 3.38 4.17 -0.10 1.67 -0.21 -1.26 -2.14 119.66 125.17 1g47 s GLN 44 Ca 0.63 0.99 -0.02 0.00 0.02 0.00 0.00 55.36 56.98 1g47 s GLN 44 Cb -0.28 -2.27 0.03 0.00 1.00 0.00 0.00 33.01 31.49 1g47 s GLN 44 CO 0.22 0.04 0.00 0.12 -2.12 0.00 0.00 175.29 173.55 1g47 s PHE 45 N -2.10 0.82 -2.00 0.91 2.19 0.79 -4.95 117.98 113.63 1g47 s PHE 45 Ca 0.59 -0.37 0.08 0.00 0.33 0.00 0.00 56.93 57.57 1g47 s PHE 45 Cb -0.10 -0.89 0.49 0.00 -1.31 0.00 0.00 43.02 41.21 1g47 s PHE 45 CO 0.15 -0.41 0.93 -0.35 1.83 0.00 0.00 175.22 177.37 1g47 n PRO 46 N 5.11 0.28 0.19 10.12 -0.04 -1.26 -3.14 135.00 146.25 1g47 n PRO 46 Ca -0.08 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.56 1g47 n PRO 46 Cb 0.49 -1.47 0.82 0.00 -0.04 0.00 0.00 33.50 33.30 1g47 n PRO 46 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1g47 h GLU 47 N 0.00 0.00 0.00 0.54 4.81 -1.94 -3.45 114.58 114.54 1g47 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g47 h GLU 47 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1g47 h GLU 47 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1g47 n GLY 48 N -1.41 2.73 2.70 1.92 0.00 -1.19 -4.78 105.19 105.17 1g47 n GLY 48 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1g47 n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g47 s LEU 49 N 0.00 -0.28 0.00 0.99 0.20 -1.26 -4.89 118.68 113.43 1g47 s LEU 49 Ca 0.00 -0.26 0.00 0.00 0.69 0.00 0.00 54.13 54.56 1g47 s LEU 49 Cb 0.00 0.37 0.00 0.00 -0.43 0.00 0.00 46.19 46.13 1g47 s LEU 49 CO 0.00 -0.02 0.00 2.22 -0.29 0.00 0.00 176.35 178.26 1g47 n PHE 50 N 3.00 0.00 -2.85 5.38 1.16 -1.26 -4.93 117.46 117.96 1g47 n PHE 50 Ca 0.09 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.43 1g47 n PHE 50 Cb 0.64 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.49 1g47 n PHE 50 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1g47 n TYR 51 N 0.00 3.06 -1.59 2.97 4.01 -0.57 -5.01 117.16 120.03 1g47 n TYR 51 Ca 0.00 -3.66 -0.30 0.00 -0.16 0.00 0.00 57.90 53.78 1g47 n TYR 51 Cb 0.00 -0.37 0.08 0.00 -0.31 0.00 0.00 39.34 38.74 1g47 n TYR 51 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1g47 s GLU 52 N -3.30 2.21 0.26 -0.72 4.04 -1.17 -1.11 118.70 118.91 1g47 s GLU 52 Ca 0.46 0.64 -0.03 0.00 0.04 0.00 0.00 54.97 56.07 1g47 s GLU 52 Cb 0.33 -1.93 -0.02 0.00 0.02 0.00 0.00 34.13 32.53 1g47 s GLU 52 CO -0.13 -1.54 0.31 -0.06 -1.84 0.00 0.00 175.26 172.01 1g47 s PHE 53 N -3.17 1.01 0.01 4.83 0.40 -1.02 -4.72 117.98 115.32 1g47 s PHE 53 Ca 0.60 -1.23 -0.30 0.00 -0.60 0.00 0.00 56.93 55.40 1g47 s PHE 53 Cb -0.14 -0.29 -0.05 0.00 0.51 0.00 0.00 43.02 43.06 1g47 s PHE 53 CO 0.54 -0.87 1.26 -1.83 0.70 0.00 0.00 175.22 175.02 1g47 s GLU 54 N -3.80 4.36 0.00 0.44 -1.05 -1.26 -2.61 118.70 114.78 1g47 s GLU 54 Ca 0.33 1.80 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 1g47 s GLU 54 Cb 0.03 -3.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.24 1g47 s GLU 54 CO 0.15 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1g47 n GLY 55 N 3.39 1.56 0.00 -3.83 0.00 -1.26 -4.89 105.19 100.15 1g47 n GLY 55 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1g47 n GLY 55 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1g47 n ARG 56 N -2.00 0.00 -3.63 1.61 1.85 -1.07 -5.14 116.66 108.27 1g47 n ARG 56 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 1g47 n ARG 56 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 1g47 n ARG 56 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1g47 s LYS 57 N -0.60 0.29 0.02 2.89 -2.85 -1.26 -2.42 119.74 115.81 1g47 s LYS 57 Ca 0.00 0.25 -0.07 0.00 -1.00 0.00 0.00 55.97 55.14 1g47 s LYS 57 Cb 0.00 0.14 -0.00 0.00 -2.06 0.00 0.00 37.83 35.91 1g47 s LYS 57 CO 0.00 -0.06 0.14 0.71 0.10 0.00 0.00 175.35 176.24 1g47 s TYR 58 N -0.25 0.08 0.15 1.78 2.02 -0.27 0.36 117.35 121.23 1g47 s TYR 58 Ca 0.05 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1g47 s TYR 58 Cb -0.04 -0.07 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 1g47 s TYR 58 CO -0.09 -0.33 0.14 0.00 -1.57 0.00 0.00 175.55 173.70 1g47 n GLU 60 N -1.01 0.02 -0.00 0.00 2.13 -1.26 -2.18 120.64 118.33 1g47 n GLU 60 Ca 0.01 0.36 -0.00 0.00 0.66 0.00 0.00 57.16 58.19 1g47 n GLU 60 Cb 0.16 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.37 1g47 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1g47 h HIS 61 N 0.00 0.00 -0.87 4.31 2.76 -1.97 -2.31 115.15 117.06 1g47 h HIS 61 Ca 0.00 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1g47 h HIS 61 Cb 0.03 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.92 1g47 h HIS 61 CO 0.00 0.00 0.53 0.22 -1.30 0.00 0.00 177.93 177.38 1g47 h ASP 62 N -0.06 0.78 -0.43 3.26 3.58 -1.91 0.29 116.42 121.93 1g47 h ASP 62 Ca 0.00 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 1g47 h ASP 62 Cb 0.01 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1g47 h ASP 62 CO 0.00 0.46 -0.12 0.15 -2.88 0.00 0.00 179.24 176.85 1g47 h PHE 63 N 0.90 0.96 0.00 0.28 3.57 -1.62 -2.27 116.94 118.76 1g47 h PHE 63 Ca 0.41 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1g47 h PHE 63 Cb 0.32 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1g47 h PHE 63 CO -0.04 0.96 0.00 -0.56 -2.23 0.00 0.00 178.31 176.44 1g47 h GLN 64 N 0.67 0.00 -0.54 1.11 -0.00 -0.78 -1.56 115.11 114.01 1g47 h GLN 64 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.67 1g47 h GLN 64 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.12 1g47 h GLN 64 CO 0.05 0.00 -0.01 1.98 -0.00 0.00 0.00 178.83 180.84 1g47 h MET 65 N 0.00 0.94 0.00 0.06 4.05 -0.38 -0.34 114.93 119.26 1g47 h MET 65 Ca 0.00 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1g47 h MET 65 Cb 0.52 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1g47 h MET 65 CO 0.00 0.94 0.00 -0.07 0.23 0.00 0.00 176.91 178.01 1g47 h LEU 66 N 0.86 0.00 -1.88 3.39 3.38 -1.09 -3.47 115.31 116.51 1g47 h LEU 66 Ca 0.16 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 1g47 h LEU 66 Cb 0.53 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.40 1g47 h LEU 66 CO 0.03 0.00 -0.81 0.49 0.09 0.00 0.00 178.44 178.23 1g47 n PHE 67 N -2.71 -2.09 -3.68 1.13 3.72 -0.14 -4.97 117.46 108.71 1g47 n PHE 67 Ca 0.04 0.87 -0.29 0.00 -0.05 0.00 0.00 57.45 58.01 1g47 n PHE 67 Cb 0.44 -4.61 -0.13 0.00 -0.94 0.00 0.00 39.48 34.24 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g47 s ALA 68 N -3.50 1.93 -1.31 4.37 0.00 -1.24 -4.95 121.76 117.07 1g47 s ALA 68 Ca 0.08 -2.42 0.03 0.00 0.00 0.00 0.00 51.96 49.65 1g47 s ALA 68 Cb -0.02 -1.83 0.15 0.00 0.00 0.00 0.00 23.12 21.43 1g47 s ALA 68 CO 0.77 -2.04 0.97 -0.35 0.00 0.00 0.00 175.76 175.11 1g47 n PRO 69 N 3.72 0.03 0.00 0.00 -0.04 -1.26 -4.95 135.00 132.51 1g47 n PRO 69 Ca 0.08 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.92 1g47 n PRO 69 Cb 0.35 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.70 1g47 n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46