#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 -2.71 -0.98 3.04 0.00 -1.26 -4.10 120.51 114.50 1g47 n ALA 2 Ca 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1g47 n ALA 2 Cb 0.00 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 16.92 1g47 n ALA 2 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1g47 n ASN 3 N -1.10 5.15 0.00 0.00 6.94 -1.26 -3.47 115.26 121.51 1g47 n ASN 3 Ca -0.01 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.08 1g47 n ASN 3 Cb 0.54 -1.39 0.00 0.00 -2.36 0.00 0.00 39.78 36.56 1g47 n ASN 3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1g47 n ALA 4 N 2.51 0.00 -0.01 -2.53 0.00 -1.26 -5.02 120.51 114.20 1g47 n ALA 4 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.86 1g47 n ALA 4 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.35 1g47 n ALA 4 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1g47 h LEU 5 N 0.00 0.00 -7.68 0.00 4.07 -1.92 -3.51 115.31 106.27 1g47 h LEU 5 Ca 0.00 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.19 1g47 h LEU 5 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1g47 h LEU 5 CO 0.00 0.08 0.66 0.00 -1.08 0.00 0.00 178.44 178.10 1g47 s ALA 6 N -2.97 -1.89 -0.43 1.53 0.00 -1.23 -5.11 121.76 111.67 1g47 s ALA 6 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1g47 s ALA 6 Cb 0.00 0.64 0.17 0.00 0.00 0.00 0.00 23.12 23.93 1g47 s ALA 6 CO 0.02 -1.07 0.41 -1.12 0.00 0.00 0.00 175.76 174.00 1g47 s SER 7 N -3.21 0.93 -0.15 0.00 0.01 -1.26 -4.30 113.70 105.71 1g47 s SER 7 Ca 0.18 -2.74 -0.10 0.00 1.31 0.00 0.00 55.95 54.59 1g47 s SER 7 Cb -0.00 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.30 1g47 s SER 7 CO 0.01 -0.16 0.21 0.00 0.41 0.00 0.00 173.24 173.72 1g47 n ALA 8 N 2.96 -3.61 -2.41 1.44 0.00 -1.26 -4.50 120.51 113.13 1g47 n ALA 8 Ca 0.26 2.03 -0.21 0.00 0.00 0.00 0.00 53.44 55.52 1g47 n ALA 8 Cb 0.49 -3.96 -0.10 0.00 0.00 0.00 0.00 19.45 15.88 1g47 n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g47 s THR 9 N -0.55 1.91 0.85 0.00 -4.23 -1.26 -1.92 115.64 110.45 1g47 s THR 9 Ca -0.24 -2.23 -0.10 0.00 -1.18 0.00 0.00 61.69 57.93 1g47 s THR 9 Cb 0.02 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.71 1g47 s THR 9 CO 0.65 -0.45 1.11 0.00 -0.54 0.00 0.00 174.62 175.40 1g47 h GLU 11 N -1.53 0.22 -0.62 0.00 4.57 -1.67 -1.08 114.58 114.47 1g47 h GLU 11 Ca -0.44 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 57.34 1g47 h GLU 11 Cb 1.25 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 1g47 h GLU 11 CO 0.47 1.18 0.02 0.54 -1.18 0.00 0.00 179.01 180.05 1g47 n ARG 12 N -3.72 4.57 0.00 1.92 3.00 -1.26 -4.43 116.66 116.74 1g47 n ARG 12 Ca -0.31 -2.94 0.00 0.00 -0.01 0.00 0.00 57.85 54.59 1g47 n ARG 12 Cb 0.96 -2.22 0.00 0.00 0.00 0.00 0.00 32.46 31.21 1g47 n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1g47 n LYS 14 N -0.25 -6.46 -3.38 0.00 3.00 -0.41 -4.84 118.16 105.83 1g47 n LYS 14 Ca 0.00 0.70 -0.39 0.00 -0.00 0.00 0.00 58.31 58.62 1g47 n LYS 14 Cb 0.00 -5.34 -0.09 0.00 0.00 0.00 0.00 35.03 29.60 1g47 n LYS 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1g47 s GLY 15 N -3.47 1.90 -0.55 3.14 0.00 -1.26 -4.42 107.32 102.66 1g47 s GLY 15 Ca 0.38 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 44.07 1g47 s GLY 15 CO 0.61 0.98 2.45 0.61 0.00 0.00 0.00 173.10 177.76 1g47 n GLY 16 N 4.57 0.10 0.05 0.20 0.00 -1.26 -1.97 105.19 106.89 1g47 n GLY 16 Ca -0.08 0.70 -0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 15.39 -1.28 0.01 1.61 1.16 -0.81 -4.98 117.46 128.56 1g47 n PHE 17 Ca 0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 57.45 55.95 1g47 n PHE 17 Cb 0.49 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 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 -2.98 0.00 -1.60 1.98 0.00 -1.26 -4.78 120.51 111.86 1g47 n ALA 18 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1g47 n ALA 18 Cb 0.01 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.51 0.89 0.12 0.00 -0.02 -1.26 -4.51 135.00 127.70 1g47 n PRO 19 Ca 0.00 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 61.92 1g47 n PRO 19 Cb 0.00 -2.36 0.44 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.04 1.15 0.03 3.55 0.00 -1.26 0.11 120.51 122.05 1g47 n ALA 20 Ca 0.15 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 1g47 n ALA 20 Cb 0.48 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1g47 n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1g47 h GLU 21 N 0.00 0.28 0.04 0.00 3.07 -2.02 -3.37 114.58 112.58 1g47 h GLU 21 Ca 0.00 -0.48 -0.30 0.00 -0.50 0.00 0.00 59.36 58.08 1g47 h GLU 21 Cb 0.06 0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 1g47 h GLU 21 CO 0.00 1.23 -1.66 0.87 -1.40 0.00 0.00 179.01 178.05 1g47 h LYS 22 N -0.29 0.08 -5.71 2.33 1.79 -1.71 -3.40 116.57 109.65 1g47 h LYS 22 Ca -0.25 -0.14 -0.58 0.00 -2.18 0.00 0.00 60.65 57.50 1g47 h LYS 22 Cb 1.75 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 32.37 1g47 h LYS 22 CO 0.10 0.75 -0.10 -1.50 -1.08 0.00 0.00 179.45 177.62 1g47 s ILE 23 N -2.61 5.16 -0.44 1.86 -1.16 0.31 -4.23 121.20 120.09 1g47 s ILE 23 Ca -0.08 0.98 0.06 0.00 -0.51 0.00 0.00 60.65 61.11 1g47 s ILE 23 Cb 0.08 -3.84 0.22 0.00 0.61 0.00 0.00 42.46 39.53 1g47 s ILE 23 CO 0.82 0.29 0.49 0.52 -2.81 0.00 0.00 174.94 174.24 1g47 n VAL 24 N 3.89 -0.38 -2.89 4.00 0.31 -0.30 -4.47 118.33 118.49 1g47 n VAL 24 Ca -0.06 -4.01 -0.40 0.00 -0.01 0.00 0.00 64.34 59.86 1g47 n VAL 24 Cb 0.51 -1.89 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 1g47 n VAL 24 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1g47 s ASN 25 N -0.94 7.29 0.04 4.52 2.47 -1.26 -2.65 114.94 124.41 1g47 s ASN 25 Ca 0.34 1.55 -0.27 0.00 0.42 0.00 0.00 52.86 54.90 1g47 s ASN 25 Cb 0.11 -2.51 0.08 0.00 -1.45 0.00 0.00 41.25 37.48 1g47 s ASN 25 CO -0.13 -0.04 0.70 -0.55 -3.72 0.00 0.00 177.10 173.36 1g47 s SER 26 N 0.11 -0.55 0.00 -4.21 0.15 -1.00 -4.98 113.70 103.22 1g47 s SER 26 Ca 0.42 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1g47 s SER 26 Cb -0.21 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1g47 s SER 26 CO 0.25 -0.75 0.00 0.59 1.20 0.00 0.00 173.24 174.53 1g47 n ASN 27 N 0.16 0.00 0.00 5.45 3.02 -1.26 -2.36 115.26 120.27 1g47 n ASN 27 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1g47 n ASN 27 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.00 0.00 3.71 7.41 0.00 -1.26 -4.66 105.19 110.39 1g47 n GLY 28 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1g47 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g47 s GLU 29 N 0.00 1.93 -0.12 1.61 2.02 -0.99 -4.24 118.70 118.90 1g47 s GLU 29 Ca 0.00 -1.36 0.02 0.00 0.02 0.00 0.00 54.97 53.65 1g47 s GLU 29 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 34.13 34.78 1g47 s GLU 29 CO 0.00 -0.86 -0.18 -0.51 0.02 0.00 0.00 175.26 173.73 1g47 s LEU 30 N -3.06 2.42 0.06 1.80 2.01 -1.26 -2.36 118.68 118.29 1g47 s LEU 30 Ca 0.19 -0.45 0.01 0.00 0.01 0.00 0.00 54.13 53.90 1g47 s LEU 30 Cb -0.03 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.61 1g47 s LEU 30 CO 0.12 0.15 -0.06 -0.31 1.01 0.00 0.00 176.35 177.25 1g47 s TYR 31 N 0.43 0.71 0.10 0.29 1.51 -1.09 -1.55 117.35 117.75 1g47 s TYR 31 Ca -0.13 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.18 1g47 s TYR 31 Cb -0.17 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1g47 s TYR 31 CO 0.06 -0.15 0.13 0.72 -1.11 0.00 0.00 175.55 175.20 1g47 n HIS 32 N 0.69 -3.66 0.16 2.71 8.25 -1.26 -1.15 115.22 120.96 1g47 n HIS 32 Ca -0.17 -0.17 0.03 0.00 -0.26 0.00 0.00 57.72 57.15 1g47 n HIS 32 Cb 0.58 -0.10 0.16 0.00 1.12 0.00 0.00 29.99 31.75 1g47 n HIS 32 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1g47 h GLU 33 N 0.00 0.00 -1.21 -0.41 3.07 -1.78 -3.30 114.58 110.95 1g47 h GLU 33 Ca -0.04 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.32 1g47 h GLU 33 Cb 0.14 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.63 1g47 h GLU 33 CO 0.04 0.48 -0.89 0.94 -1.40 0.00 0.00 179.01 178.17 1g47 n GLN 34 N -3.36 2.72 0.00 2.33 7.27 -1.26 -1.91 117.38 123.16 1g47 n GLN 34 Ca 0.01 -4.06 0.00 0.00 0.07 0.00 0.00 57.00 53.02 1g47 n GLN 34 Cb 0.65 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1g47 n GLN 34 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g47 n PHE 36 N -0.52 1.27 -3.65 0.00 3.01 -1.26 -4.72 117.46 111.59 1g47 n PHE 36 Ca 0.00 0.05 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 1g47 n PHE 36 Cb 0.00 -2.60 -0.02 0.00 -0.01 0.00 0.00 39.48 36.85 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 13.37 3.78 -0.25 -4.37 -7.23 -1.26 -0.58 120.40 123.86 1g47 s VAL 37 Ca 0.97 -1.20 -0.20 0.00 -1.81 0.00 0.00 61.98 59.74 1g47 s VAL 37 Cb -0.18 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 1g47 s VAL 37 CO 0.18 -0.16 0.63 0.00 -0.31 0.00 0.00 175.10 175.43 1g47 n ALA 39 N 5.68 0.66 -0.01 0.00 0.00 -0.41 0.22 120.51 126.64 1g47 n ALA 39 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1g47 n ALA 39 Cb 0.49 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.16 0.11 0.01 0.00 1.13 -1.26 -4.67 117.38 111.52 1g47 n GLN 40 Ca 0.00 0.04 0.14 0.00 -1.94 0.00 0.00 57.00 55.24 1g47 n GLN 40 Cb 0.15 -0.54 0.59 0.00 0.11 0.00 0.00 30.24 30.56 1g47 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g47 n PHE 42 N -1.54 -0.04 -2.42 0.00 3.72 0.58 -4.83 117.46 112.93 1g47 n PHE 42 Ca 0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.04 1g47 n PHE 42 Cb 0.34 -2.03 -0.02 0.00 -0.94 0.00 0.00 39.48 36.83 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 -2.05 4.24 1.06 -1.08 2.00 -1.26 -4.34 119.66 118.23 1g47 s GLN 43 Ca 0.00 1.66 -0.16 0.00 -2.00 0.00 0.00 55.36 54.86 1g47 s GLN 43 Cb 0.00 -3.75 0.23 0.00 0.80 0.00 0.00 33.01 30.29 1g47 s GLN 43 CO 0.00 -0.69 1.17 1.14 -0.50 0.00 0.00 175.29 176.41 1g47 s GLN 44 N 3.40 -0.12 -0.18 1.67 0.00 -1.26 -2.47 119.66 120.71 1g47 s GLN 44 Ca 0.55 -0.03 -0.07 0.00 -0.00 0.00 0.00 55.36 55.81 1g47 s GLN 44 Cb -0.22 -1.72 0.08 0.00 0.00 0.00 0.00 33.01 31.15 1g47 s GLN 44 CO 0.15 -2.98 0.39 -0.06 0.00 0.00 0.00 175.29 172.79 1g47 s PHE 45 N -3.29 -0.70 -1.07 9.60 0.08 0.26 -4.84 117.98 118.02 1g47 s PHE 45 Ca 0.70 1.39 0.02 0.00 0.12 0.00 0.00 56.93 59.16 1g47 s PHE 45 Cb -0.10 0.24 0.09 0.00 -0.57 0.00 0.00 43.02 42.68 1g47 s PHE 45 CO 0.55 -0.44 1.04 -0.35 -0.10 0.00 0.00 175.22 175.92 1g47 n PRO 46 N 5.19 0.01 0.20 0.24 -0.04 -1.26 -2.44 135.00 136.90 1g47 n PRO 46 Ca -0.11 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 63.96 1g47 n PRO 46 Cb 0.50 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.29 1g47 n PRO 46 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1g47 h GLU 47 N 0.00 0.00 0.00 0.54 3.07 -1.95 -3.42 114.58 112.81 1g47 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1g47 h GLU 47 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1g47 h GLU 47 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1g47 n GLY 48 N -1.41 0.45 3.23 -3.84 0.00 -0.80 -4.88 105.19 97.94 1g47 n GLY 48 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.25 0.00 0.99 1.98 -1.26 -4.92 118.68 115.22 1g47 s LEU 49 Ca 0.00 0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.54 1g47 s LEU 49 Cb 0.00 1.27 0.00 0.00 0.66 0.00 0.00 46.19 48.12 1g47 s LEU 49 CO 0.00 -0.05 0.00 2.22 -1.89 0.00 0.00 176.35 176.63 1g47 n PHE 50 N 4.88 0.00 -2.63 5.38 1.16 -1.26 -5.02 117.46 119.97 1g47 n PHE 50 Ca -0.07 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.15 1g47 n PHE 50 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.42 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 3.22 -1.31 2.97 4.01 -0.39 -5.00 117.16 120.66 1g47 n TYR 51 Ca 0.00 -2.99 -0.29 0.00 -0.16 0.00 0.00 57.90 54.46 1g47 n TYR 51 Cb 0.00 -0.92 0.18 0.00 -0.31 0.00 0.00 39.34 38.30 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 -4.01 0.15 0.27 -0.72 -1.05 -1.23 -0.80 118.70 111.32 1g47 s GLU 52 Ca 0.44 0.20 -0.08 0.00 -0.15 0.00 0.00 54.97 55.38 1g47 s GLU 52 Cb 0.26 -1.73 -0.01 0.00 -0.44 0.00 0.00 34.13 32.21 1g47 s GLU 52 CO -0.17 -2.85 0.44 -0.06 0.95 0.00 0.00 175.26 173.57 1g47 s PHE 53 N -3.15 0.69 -0.19 4.83 0.40 0.10 -4.67 117.98 115.99 1g47 s PHE 53 Ca 0.67 -1.00 -0.29 0.00 -0.60 0.00 0.00 56.93 55.71 1g47 s PHE 53 Cb -0.14 0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.39 1g47 s PHE 53 CO 0.56 -1.00 1.34 -2.00 0.70 0.00 0.00 175.22 174.81 1g47 s GLU 54 N -3.68 4.11 0.00 0.44 -6.30 -1.26 -2.64 118.70 109.36 1g47 s GLU 54 Ca 0.27 1.61 0.00 0.00 -2.50 0.00 0.00 54.97 54.35 1g47 s GLU 54 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 34.13 30.30 1g47 s GLU 54 CO 0.13 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1g47 n GLY 55 N 3.92 2.54 0.00 -1.50 0.00 -1.26 -4.94 105.19 103.96 1g47 n GLY 55 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1g47 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g47 n ARG 56 N -2.00 0.00 -3.57 1.61 1.74 -1.08 -5.10 116.66 108.25 1g47 n ARG 56 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1g47 n ARG 56 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1g47 n ARG 56 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1g47 s LYS 57 N -1.96 0.56 -0.06 5.56 0.00 -1.26 -0.72 119.74 121.86 1g47 s LYS 57 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 55.97 55.97 1g47 s LYS 57 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 37.83 38.11 1g47 s LYS 57 CO 0.00 -0.19 0.16 0.71 0.00 0.00 0.00 175.35 176.03 1g47 s TYR 58 N -1.50 -0.18 0.91 1.78 2.02 0.02 -1.29 117.35 119.11 1g47 s TYR 58 Ca 0.01 0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 57.04 1g47 s TYR 58 Cb -0.01 0.04 0.19 0.00 -0.40 0.00 0.00 41.96 41.78 1g47 s TYR 58 CO -0.01 -0.10 1.25 0.00 -1.57 0.00 0.00 175.55 175.11 1g47 n GLU 60 N -3.55 0.10 -0.00 0.00 4.07 -1.26 -2.49 120.64 117.51 1g47 n GLU 60 Ca 0.16 0.20 -0.01 0.00 -0.06 0.00 0.00 57.16 57.45 1g47 n GLU 60 Cb 0.60 -1.50 -0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1g47 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1g47 h HIS 61 N 0.00 -0.06 -0.39 4.31 -0.00 -1.98 -1.28 115.15 115.75 1g47 h HIS 61 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1g47 h HIS 61 Cb 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 1g47 h HIS 61 CO 0.00 -0.04 0.08 0.22 -0.00 0.00 0.00 177.93 178.19 1g47 h ASP 62 N -0.63 0.54 -0.23 3.26 3.58 -1.91 -1.37 116.42 119.67 1g47 h ASP 62 Ca -0.01 -0.08 -0.19 0.00 0.42 0.00 0.00 57.03 57.17 1g47 h ASP 62 Cb 0.05 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1g47 h ASP 62 CO 0.01 0.56 -0.60 0.15 -2.88 0.00 0.00 179.24 176.48 1g47 h PHE 63 N 0.57 1.06 0.00 0.28 3.57 -1.62 -2.70 116.94 118.10 1g47 h PHE 63 Ca 0.13 -0.40 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 1g47 h PHE 63 Cb 0.25 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1g47 h PHE 63 CO 0.01 1.22 -0.01 -0.56 -2.23 0.00 0.00 178.31 176.75 1g47 h GLN 64 N 0.62 0.00 -0.52 1.11 3.07 -0.88 -2.27 115.11 116.24 1g47 h GLN 64 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 1g47 h GLN 64 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.75 1g47 h GLN 64 CO 0.13 0.01 -0.06 0.52 0.09 0.00 0.00 178.83 179.51 1g47 h MET 65 N 0.00 0.95 0.00 0.06 2.86 -0.94 -1.29 114.93 116.57 1g47 h MET 65 Ca -0.00 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 1g47 h MET 65 Cb 0.60 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1g47 h MET 65 CO 0.00 1.00 -0.32 -0.07 1.06 0.00 0.00 176.91 178.58 1g47 h LEU 66 N 0.82 0.00 1.56 1.22 3.38 -1.20 -3.46 115.31 117.63 1g47 h LEU 66 Ca 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1g47 h LEU 66 Cb 0.61 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1g47 h LEU 66 CO 0.04 0.32 -0.37 0.33 0.09 0.00 0.00 178.44 178.85 1g47 n PHE 67 N -3.76 -0.38 -3.18 1.13 7.35 -0.49 -3.51 117.46 114.62 1g47 n PHE 67 Ca -0.01 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.56 1g47 n PHE 67 Cb 0.41 -3.15 0.01 0.00 0.35 0.00 0.00 39.48 37.10 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1g47 n ALA 68 N -0.15 -2.68 -1.63 3.13 0.00 -1.26 -4.76 120.51 113.16 1g47 n ALA 68 Ca -0.18 0.34 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1g47 n ALA 68 Cb 0.60 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1g47 n ALA 68 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g47 s PRO 69 N -3.16 2.36 0.00 0.00 0.04 -1.23 -5.22 135.00 127.78 1g47 s PRO 69 Ca 0.12 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1g47 s PRO 69 Cb -0.03 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1g47 s PRO 69 CO 0.80 -2.99 0.00 0.00 0.04 0.00 0.00 177.00 174.85