#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g47 s ALA 2 N 0.00 2.25 0.04 3.17 0.00 -1.26 -4.82 121.76 121.13 1g47 s ALA 2 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1g47 s ALA 2 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1g47 s ALA 2 CO 0.00 -4.02 0.00 -1.71 0.00 0.00 0.00 175.76 170.03 1g47 n ASN 3 N 11.55 -5.33 -3.65 0.00 2.85 -1.26 -4.95 115.26 114.46 1g47 n ASN 3 Ca 0.27 0.17 -0.15 0.00 -0.11 0.00 0.00 54.58 54.76 1g47 n ASN 3 Cb 0.50 -0.49 -0.08 0.00 1.24 0.00 0.00 39.78 40.95 1g47 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1g47 s ALA 4 N -1.86 -1.36 0.62 5.20 0.00 -1.26 -5.16 121.76 117.93 1g47 s ALA 4 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1g47 s ALA 4 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1g47 s ALA 4 CO 0.00 -0.29 1.03 -0.48 0.00 0.00 0.00 175.76 176.02 1g47 s LEU 5 N -0.46 3.31 0.00 0.00 2.34 -1.26 -4.85 118.68 117.76 1g47 s LEU 5 Ca -0.06 1.54 0.00 0.00 0.06 0.00 0.00 54.13 55.67 1g47 s LEU 5 Cb -0.03 -4.49 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 1g47 s LEU 5 CO 0.04 -1.00 0.00 0.00 -1.06 0.00 0.00 176.35 174.33 1g47 n ALA 6 N -2.56 0.00 0.14 1.48 0.00 -1.26 -4.87 120.51 113.44 1g47 n ALA 6 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1g47 n ALA 6 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1g47 n ALA 6 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g47 n SER 7 N -3.16 -1.21 -2.61 0.00 3.41 -1.26 -5.11 113.62 103.68 1g47 n SER 7 Ca 0.00 0.50 -0.04 0.00 -0.26 0.00 0.00 58.87 59.07 1g47 n SER 7 Cb 0.00 1.29 0.02 0.00 -0.26 0.00 0.00 64.21 65.26 1g47 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g47 n ALA 8 N -3.26 -1.80 -2.40 7.33 0.00 -1.26 -5.09 120.51 114.03 1g47 n ALA 8 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 53.44 52.38 1g47 n ALA 8 Cb 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.23 2.00 0.89 0.00 -4.23 -1.26 -2.18 115.64 108.63 1g47 s THR 9 Ca 0.16 -2.27 -0.11 0.00 -1.18 0.00 0.00 61.69 58.28 1g47 s THR 9 Cb -0.03 -2.17 0.12 0.00 1.34 0.00 0.00 72.50 71.76 1g47 s THR 9 CO 0.06 -0.50 1.09 0.00 -0.54 0.00 0.00 174.62 174.73 1g47 h GLU 11 N -1.56 -0.23 -0.06 0.00 4.57 -1.79 -1.10 114.58 114.40 1g47 h GLU 11 Ca -0.48 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1g47 h GLU 11 Cb 1.27 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1g47 h GLU 11 CO 0.52 -0.16 -0.07 -0.09 -1.18 0.00 0.00 179.01 178.03 1g47 h ARG 12 N -0.67 0.16 0.00 1.92 2.43 -1.83 -3.32 114.38 113.07 1g47 h ARG 12 Ca -0.02 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1g47 h ARG 12 Cb 0.19 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1g47 h ARG 12 CO 0.04 0.62 -1.18 0.00 -1.51 0.00 0.00 179.97 177.94 1g47 n LYS 14 N -2.73 -7.39 -3.27 0.00 4.01 -0.42 -4.84 118.16 103.53 1g47 n LYS 14 Ca -0.03 0.80 -0.39 0.00 -0.51 0.00 0.00 58.31 58.17 1g47 n LYS 14 Cb 0.65 -5.82 -0.07 0.00 -0.51 0.00 0.00 35.03 29.28 1g47 n LYS 14 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1g47 s GLY 15 N -3.53 1.97 -0.53 0.72 0.00 -1.26 -4.41 107.32 100.28 1g47 s GLY 15 Ca 0.48 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 44.41 1g47 s GLY 15 CO 0.74 1.10 2.44 0.61 0.00 0.00 0.00 173.10 178.00 1g47 n GLY 16 N 4.13 0.13 1.47 0.20 0.00 -1.26 -2.14 105.19 107.73 1g47 n GLY 16 Ca -0.05 0.70 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.56 0.03 1.61 1.16 -0.92 -4.99 117.46 128.17 1g47 n PHE 17 Ca 0.40 -0.88 0.00 0.00 -1.87 0.00 0.00 57.45 55.10 1g47 n PHE 17 Cb 0.50 -0.18 0.00 0.00 -1.61 0.00 0.00 39.48 38.18 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 -2.61 0.00 -1.74 1.98 0.00 -1.26 -4.17 120.51 112.72 1g47 n ALA 18 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1g47 n ALA 18 Cb 0.24 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.75 1g47 n ALA 18 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g47 s PRO 19 N -2.00 2.68 0.35 0.00 0.04 -1.26 -4.44 135.00 130.38 1g47 s PRO 19 Ca 0.00 1.99 0.24 0.00 0.04 0.00 0.00 61.00 63.27 1g47 s PRO 19 Cb 0.00 -1.87 1.29 0.00 0.04 0.00 0.00 34.50 33.96 1g47 s PRO 19 CO 0.00 -1.48 1.75 0.00 0.04 0.00 0.00 177.00 177.31 1g47 h ALA 20 N 0.65 1.00 0.00 8.56 0.00 -2.01 1.17 119.26 128.63 1g47 h ALA 20 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1g47 h ALA 20 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1g47 h ALA 20 CO 0.54 0.00 -0.09 1.49 0.00 0.00 0.00 179.25 181.18 1g47 h GLU 21 N 0.00 0.00 0.00 0.00 4.22 -2.03 -3.37 114.58 113.39 1g47 h GLU 21 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1g47 h GLU 21 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1g47 h GLU 21 CO 0.00 0.00 -1.14 1.63 -2.18 0.00 0.00 179.01 177.32 1g47 n LYS 22 N -2.93 0.13 -2.59 1.92 4.76 0.23 -4.75 118.16 114.93 1g47 n LYS 22 Ca 0.04 0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 55.07 1g47 n LYS 22 Cb 0.52 -1.05 -0.02 0.00 -1.84 0.00 0.00 35.03 32.63 1g47 n LYS 22 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1g47 s ILE 23 N -2.05 4.56 -0.22 -0.18 -1.09 0.38 -4.46 121.20 118.15 1g47 s ILE 23 Ca -0.03 1.86 -0.04 0.00 -2.23 0.00 0.00 60.65 60.21 1g47 s ILE 23 Cb 0.01 -4.20 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1g47 s ILE 23 CO 0.06 -0.04 0.08 -0.69 -1.23 0.00 0.00 174.94 173.12 1g47 s VAL 24 N 2.42 0.21 0.08 2.92 1.01 -0.51 -4.54 120.40 121.98 1g47 s VAL 24 Ca 0.50 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1g47 s VAL 24 Cb -0.20 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1g47 s VAL 24 CO 0.17 -0.39 0.18 0.21 0.00 0.00 0.00 175.10 175.26 1g47 s ASN 25 N 1.99 6.06 -0.19 3.32 2.47 -1.26 0.11 114.94 127.43 1g47 s ASN 25 Ca 0.03 0.15 -0.09 0.00 0.42 0.00 0.00 52.86 53.38 1g47 s ASN 25 Cb -0.16 -1.78 0.07 0.00 -1.45 0.00 0.00 41.25 37.93 1g47 s ASN 25 CO -0.16 0.15 0.43 -0.94 -3.72 0.00 0.00 177.10 172.86 1g47 s SER 26 N -2.60 -0.44 0.00 -4.21 1.04 -0.66 -4.92 113.70 101.91 1g47 s SER 26 Ca 0.33 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1g47 s SER 26 Cb -0.12 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1g47 s SER 26 CO 0.26 -0.21 0.00 0.59 0.98 0.00 0.00 173.24 174.86 1g47 n ASN 27 N 4.77 0.00 0.00 7.02 4.13 -1.26 -2.23 115.26 127.68 1g47 n ASN 27 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1g47 n ASN 27 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g47 n GLY 28 N 0.00 0.06 3.96 7.41 0.00 -1.26 -4.41 105.19 110.95 1g47 n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.94 0.03 1.61 2.12 -0.95 -4.56 118.70 118.90 1g47 s GLU 29 Ca 0.00 -0.64 0.08 0.00 0.36 0.00 0.00 54.97 54.76 1g47 s GLU 29 Cb 0.00 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1g47 s GLU 29 CO 0.00 -1.32 -0.21 -0.51 -0.54 0.00 0.00 175.26 172.68 1g47 s LEU 30 N -5.18 2.41 0.29 2.70 1.02 -1.26 -1.65 118.68 117.01 1g47 s LEU 30 Ca 0.63 -0.47 -0.04 0.00 0.02 0.00 0.00 54.13 54.27 1g47 s LEU 30 Cb -0.08 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.70 1g47 s LEU 30 CO 0.44 0.27 0.40 -0.31 0.02 0.00 0.00 176.35 177.17 1g47 s TYR 31 N -0.84 0.97 0.54 0.29 1.51 0.29 -2.12 117.35 118.00 1g47 s TYR 31 Ca 0.13 -1.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.03 1g47 s TYR 31 Cb -0.10 -0.16 0.05 0.00 -0.11 0.00 0.00 41.96 41.64 1g47 s TYR 31 CO 0.03 -0.99 0.41 0.72 -1.11 0.00 0.00 175.55 174.61 1g47 n HIS 32 N -0.47 -0.64 1.51 2.71 8.25 -1.26 -1.43 115.22 123.89 1g47 n HIS 32 Ca 0.01 -2.29 0.13 0.00 -0.26 0.00 0.00 57.72 55.31 1g47 n HIS 32 Cb 0.62 -0.44 0.73 0.00 1.12 0.00 0.00 29.99 32.02 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 -1.78 0.71 -2.72 -0.41 4.71 -1.26 -3.43 120.64 116.45 1g47 n GLU 33 Ca -0.02 0.01 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1g47 n GLU 33 Cb 0.62 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.61 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 -1.06 1.14 0.00 3.49 6.02 -1.26 0.88 117.38 126.59 1g47 n GLN 34 Ca 0.18 -2.62 0.00 0.00 -0.01 0.00 0.00 57.00 54.55 1g47 n GLN 34 Cb 0.11 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.58 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 0.00 1.89 -4.45 0.00 3.01 -1.25 -4.61 117.46 112.04 1g47 n PHE 36 Ca 0.00 0.06 -0.22 0.00 1.01 0.00 0.00 57.45 58.30 1g47 n PHE 36 Cb 0.13 -2.64 -0.11 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 7.12 1.16 -0.25 -4.37 -7.23 -1.26 0.64 120.40 116.21 1g47 s VAL 37 Ca 1.03 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.06 1g47 s VAL 37 Cb -0.61 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1g47 s VAL 37 CO 0.44 0.00 0.34 0.00 -0.31 0.00 0.00 175.10 175.57 1g47 n ALA 39 N 5.03 0.86 -0.01 0.00 0.00 0.33 0.14 120.51 126.86 1g47 n ALA 39 Ca -0.09 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1g47 n ALA 39 Cb 0.51 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.46 0.11 0.00 0.00 6.02 -1.26 -4.70 117.38 116.10 1g47 n GLN 40 Ca -0.00 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.16 1g47 n GLN 40 Cb 0.07 -0.58 0.45 0.00 1.02 0.00 0.00 30.24 31.20 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 -1.43 -0.06 -1.88 0.00 3.72 0.36 -4.86 117.46 113.31 1g47 n PHE 42 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1g47 n PHE 42 Cb 0.33 -3.37 -0.03 0.00 -0.94 0.00 0.00 39.48 35.48 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 -3.77 4.12 0.21 -1.08 0.74 -1.26 -4.29 119.66 114.33 1g47 s GLN 43 Ca 0.00 2.32 -0.18 0.00 0.05 0.00 0.00 55.36 57.55 1g47 s GLN 43 Cb 0.00 -4.06 -0.08 0.00 1.10 0.00 0.00 33.01 29.97 1g47 s GLN 43 CO 0.00 -0.94 0.69 -0.65 -0.55 0.00 0.00 175.29 173.84 1g47 s GLN 44 N 4.28 4.18 -0.10 1.67 -0.21 -1.26 -2.05 119.66 126.18 1g47 s GLN 44 Ca 0.80 0.78 -0.02 0.00 0.02 0.00 0.00 55.36 56.94 1g47 s GLN 44 Cb -0.36 -2.87 0.03 0.00 1.00 0.00 0.00 33.01 30.81 1g47 s GLN 44 CO 0.34 0.40 0.00 0.12 -2.12 0.00 0.00 175.29 174.03 1g47 s PHE 45 N -1.54 0.80 -0.37 0.91 2.19 0.21 -4.96 117.98 115.22 1g47 s PHE 45 Ca 0.42 -0.33 -0.28 0.00 0.33 0.00 0.00 56.93 57.07 1g47 s PHE 45 Cb -0.16 -0.88 -0.07 0.00 -1.31 0.00 0.00 43.02 40.60 1g47 s PHE 45 CO 0.20 -0.39 2.31 -2.30 1.83 0.00 0.00 175.22 176.87 1g47 n PRO 46 N 5.11 1.44 -3.38 10.12 -0.01 -1.26 -3.47 135.00 143.55 1g47 n PRO 46 Ca -0.08 0.28 -0.16 0.00 -0.01 0.00 0.00 63.50 63.53 1g47 n PRO 46 Cb 0.50 -3.17 -0.05 0.00 -0.01 0.00 0.00 33.50 30.77 1g47 n PRO 46 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1g47 n GLU 47 N 8.78 -0.96 0.00 -0.52 0.28 0.25 -4.73 120.64 123.75 1g47 n GLU 47 Ca 0.35 0.05 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 1g47 n GLU 47 Cb 0.44 -1.85 0.27 0.00 1.43 0.00 0.00 31.44 31.74 1g47 n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1g47 n GLY 48 N -1.70 -0.67 3.75 -1.84 0.00 -1.23 -4.96 105.19 98.54 1g47 n GLY 48 Ca -0.14 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1g47 n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1g47 n LEU 49 N -0.78 -2.37 0.00 0.99 0.00 -1.26 -4.96 117.00 108.62 1g47 n LEU 49 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 56.01 55.07 1g47 n LEU 49 Cb 0.36 -2.22 0.00 0.00 0.00 0.00 0.00 43.42 41.56 1g47 n LEU 49 CO 0.29 0.49 0.00 2.22 0.00 0.00 0.00 177.39 180.39 1g47 n PHE 50 N -4.20 0.00 -2.80 1.96 1.16 -1.26 -4.88 117.46 107.43 1g47 n PHE 50 Ca -0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.23 1g47 n PHE 50 Cb 0.59 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.44 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 3.19 -1.09 2.97 4.01 0.65 -4.89 117.16 122.00 1g47 n TYR 51 Ca 0.00 -3.61 -0.30 0.00 -0.16 0.00 0.00 57.90 53.83 1g47 n TYR 51 Cb 0.00 -0.35 0.15 0.00 -0.31 0.00 0.00 39.34 38.83 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 -3.35 1.14 0.25 -0.72 4.04 -1.17 -1.24 118.70 117.65 1g47 s GLU 52 Ca 0.46 0.94 -0.10 0.00 0.04 0.00 0.00 54.97 56.31 1g47 s GLU 52 Cb 0.34 -1.79 -0.01 0.00 0.02 0.00 0.00 34.13 32.69 1g47 s GLU 52 CO -0.14 -2.36 0.42 -0.06 -1.84 0.00 0.00 175.26 171.29 1g47 s PHE 53 N -2.85 0.56 -0.08 4.83 0.40 -0.96 -4.72 117.98 115.15 1g47 s PHE 53 Ca 0.64 -0.89 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 1g47 s PHE 53 Cb -0.19 0.04 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 1g47 s PHE 53 CO 0.58 -0.95 1.51 -1.83 0.70 0.00 0.00 175.22 175.22 1g47 s GLU 54 N -3.95 4.21 0.00 0.44 4.04 -1.26 -2.26 118.70 119.92 1g47 s GLU 54 Ca 0.26 2.01 0.00 0.00 0.04 0.00 0.00 54.97 57.28 1g47 s GLU 54 Cb 0.01 -3.87 0.00 0.00 0.02 0.00 0.00 34.13 30.29 1g47 s GLU 54 CO 0.10 -0.77 0.00 0.41 -1.84 0.00 0.00 175.26 173.16 1g47 n GLY 55 N 3.92 0.81 1.11 -3.83 0.00 -1.26 -4.81 105.19 101.13 1g47 n GLY 55 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.60 -3.65 1.61 1.74 -0.96 -5.04 116.66 108.97 1g47 n ARG 56 Ca 0.00 -1.15 -0.02 0.00 -0.77 0.00 0.00 57.85 55.92 1g47 n ARG 56 Cb 0.00 0.72 -0.07 0.00 -1.02 0.00 0.00 32.46 32.09 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 -2.50 0.14 -0.02 5.56 -2.85 -1.26 -2.25 119.74 116.55 1g47 s LYS 57 Ca 0.09 0.20 -0.12 0.00 -1.00 0.00 0.00 55.97 55.14 1g47 s LYS 57 Cb 0.00 0.05 0.02 0.00 -2.06 0.00 0.00 37.83 35.84 1g47 s LYS 57 CO 0.06 -0.02 0.25 0.71 0.10 0.00 0.00 175.35 176.46 1g47 s TYR 58 N 0.56 -0.14 0.60 1.78 2.02 -0.37 0.12 117.35 121.92 1g47 s TYR 58 Ca -0.00 0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.98 1g47 s TYR 58 Cb -0.04 0.06 0.08 0.00 -0.40 0.00 0.00 41.96 41.66 1g47 s TYR 58 CO -0.12 -0.32 0.82 0.00 -1.57 0.00 0.00 175.55 174.36 1g47 n GLU 60 N -2.39 0.20 0.00 0.00 4.07 -1.26 -3.05 120.64 118.21 1g47 n GLU 60 Ca 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1g47 n GLU 60 Cb 0.61 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 1g47 n GLU 60 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1g47 n HIS 61 N -0.75 0.00 0.26 4.31 -0.00 -1.26 -1.86 115.22 115.92 1g47 n HIS 61 Ca 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.83 1g47 n HIS 61 Cb 0.01 -0.29 0.65 0.00 -0.00 0.00 0.00 29.99 30.36 1g47 n HIS 61 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 1g47 h ASP 62 N 0.00 0.00 0.51 0.26 1.82 -1.95 -1.89 116.42 115.17 1g47 h ASP 62 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 1g47 h ASP 62 Cb 0.00 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.02 1g47 h ASP 62 CO 0.00 0.01 -1.27 -0.26 -1.61 0.00 0.00 179.24 176.10 1g47 h PHE 63 N 0.00 0.63 0.00 0.28 -1.00 -1.71 -2.86 116.94 112.28 1g47 h PHE 63 Ca -0.00 -0.45 0.00 0.00 2.81 0.00 0.00 57.97 60.33 1g47 h PHE 63 Cb 0.01 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1g47 h PHE 63 CO 0.00 1.34 0.00 0.00 -1.61 0.00 0.00 178.31 178.04 1g47 n GLN 64 N -3.60 0.12 0.10 1.51 10.64 -0.78 -2.09 117.38 123.28 1g47 n GLN 64 Ca -0.10 0.25 -0.20 0.00 -1.83 0.00 0.00 57.00 55.12 1g47 n GLN 64 Cb 1.03 -1.69 -0.12 0.00 -0.86 0.00 0.00 30.24 28.60 1g47 n GLN 64 CO 0.00 0.00 0.00 1.98 -1.83 0.00 0.00 177.06 177.21 1g47 h MET 65 N 0.00 0.51 0.00 2.61 4.05 -1.25 -3.33 114.93 117.52 1g47 h MET 65 Ca 0.00 -0.71 0.00 0.00 -0.28 0.00 0.00 59.70 58.71 1g47 h MET 65 Cb 0.44 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1g47 h MET 65 CO 0.00 1.31 0.00 1.28 0.23 0.00 0.00 176.91 179.73 1g47 n LEU 66 N -3.72 1.35 -2.76 3.39 4.77 -0.89 -4.88 117.00 114.26 1g47 n LEU 66 Ca -0.12 0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1g47 n LEU 66 Cb 0.98 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.98 1g47 n LEU 66 CO 0.56 -0.10 0.14 0.49 -1.33 0.00 0.00 177.39 177.15 1g47 n PHE 67 N -0.81 -3.69 -2.72 -1.77 3.01 -0.89 -5.04 117.46 105.54 1g47 n PHE 67 Ca 0.00 -1.37 -0.08 0.00 1.01 0.00 0.00 57.45 57.01 1g47 n PHE 67 Cb 0.00 1.48 0.08 0.00 -0.01 0.00 0.00 39.48 41.03 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g47 n ALA 68 N 2.80 -1.44 -1.79 4.37 0.00 -1.16 -4.90 120.51 118.38 1g47 n ALA 68 Ca 0.17 -1.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.02 1g47 n ALA 68 Cb 0.57 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 0.36 2.30 0.00 0.00 0.04 -1.26 -4.13 135.00 132.31 1g47 s PRO 69 Ca 0.25 0.90 0.28 0.00 0.04 0.00 0.00 61.00 62.47 1g47 s PRO 69 Cb 0.27 -4.56 1.04 0.00 0.04 0.00 0.00 34.50 31.29 1g47 s PRO 69 CO -0.13 -3.16 1.74 0.00 0.04 0.00 0.00 177.00 175.49