#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 0.00 -1.62 3.04 0.00 -1.26 -4.74 120.51 115.94 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 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1g47 n ALA 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1g47 s ASN 3 N -4.00 3.98 -0.30 0.00 0.01 -1.26 -4.92 114.94 108.45 1g47 s ASN 3 Ca 0.00 1.02 -0.28 0.00 -0.71 0.00 0.00 52.86 52.88 1g47 s ASN 3 Cb 0.00 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 1g47 s ASN 3 CO 0.00 -2.26 1.90 0.00 -1.51 0.00 0.00 177.10 175.23 1g47 s ALA 4 N -3.31 2.83 0.22 0.60 0.00 -1.26 -4.95 121.76 115.89 1g47 s ALA 4 Ca 0.63 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 1g47 s ALA 4 Cb -0.14 -4.03 -0.09 0.00 0.00 0.00 0.00 23.12 18.87 1g47 s ALA 4 CO 0.53 -2.68 0.99 -0.51 0.00 0.00 0.00 175.76 174.09 1g47 s LEU 5 N 7.25 4.59 0.00 0.00 1.43 -1.26 -5.01 118.68 125.68 1g47 s LEU 5 Ca 0.85 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1g47 s LEU 5 Cb -0.25 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1g47 s LEU 5 CO 0.34 0.03 0.10 0.00 0.23 0.00 0.00 176.35 177.04 1g47 n ALA 6 N 1.70 0.00 -3.84 4.21 0.00 -1.26 -5.07 120.51 116.24 1g47 n ALA 6 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1g47 n ALA 6 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 1g47 n ALA 6 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g47 s SER 7 N -1.22 -0.04 -0.36 0.00 1.04 -1.26 -5.10 113.70 106.76 1g47 s SER 7 Ca 0.00 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 55.56 1g47 s SER 7 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1g47 s SER 7 CO 0.00 -0.94 1.58 0.00 0.98 0.00 0.00 173.24 174.87 1g47 s ALA 8 N -2.44 3.00 0.23 5.32 0.00 -1.26 -4.98 121.76 121.63 1g47 s ALA 8 Ca 0.19 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.31 1g47 s ALA 8 Cb -0.02 -3.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.09 1g47 s ALA 8 CO 0.04 -2.44 -0.17 0.95 0.00 0.00 0.00 175.76 174.14 1g47 s THR 9 N 5.99 2.04 1.02 0.00 -4.23 -1.26 -2.25 115.64 116.95 1g47 s THR 9 Ca 0.70 -2.26 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 1g47 s THR 9 Cb -0.18 -2.13 0.20 0.00 1.34 0.00 0.00 72.50 71.73 1g47 s THR 9 CO 0.33 -0.49 1.07 0.00 -0.54 0.00 0.00 174.62 174.99 1g47 h GLU 11 N -2.09 0.00 -0.96 0.00 4.57 -1.72 -0.97 114.58 113.41 1g47 h GLU 11 Ca -0.54 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.61 1g47 h GLU 11 Cb 1.31 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 1g47 h GLU 11 CO 0.51 0.00 0.03 2.89 -1.18 0.00 0.00 179.01 181.26 1g47 n ARG 12 N -3.88 1.44 0.00 1.92 1.85 -1.26 -3.93 116.66 112.80 1g47 n ARG 12 Ca -0.03 -0.46 0.00 0.00 -1.00 0.00 0.00 57.85 56.36 1g47 n ARG 12 Cb 0.12 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 1g47 n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g47 n LYS 14 N -0.25 -6.95 -3.24 0.00 4.76 -0.37 -4.81 118.16 107.30 1g47 n LYS 14 Ca 0.00 0.75 -0.40 0.00 -2.87 0.00 0.00 58.31 55.80 1g47 n LYS 14 Cb 0.00 -5.73 -0.07 0.00 -1.84 0.00 0.00 35.03 27.39 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 -3.50 1.91 -0.49 0.72 0.00 -1.26 -4.36 107.32 100.34 1g47 s GLY 15 Ca 0.51 -0.54 -0.27 0.00 0.00 0.00 0.00 44.72 44.42 1g47 s GLY 15 CO 0.76 1.19 2.41 0.61 0.00 0.00 0.00 173.10 178.07 1g47 n GLY 16 N 4.23 0.25 0.98 0.20 0.00 -1.26 -2.05 105.19 107.54 1g47 n GLY 16 Ca -0.04 0.72 -0.07 0.00 0.00 0.00 0.00 46.02 46.63 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 14.74 -0.73 0.03 1.61 1.16 -0.95 -5.00 117.46 128.32 1g47 n PHE 17 Ca 0.39 -0.63 0.00 0.00 -1.87 0.00 0.00 57.45 55.34 1g47 n PHE 17 Cb 0.48 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 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 -2.66 0.00 -1.63 1.98 0.00 -1.26 -4.75 120.51 112.19 1g47 n ALA 18 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 1g47 n ALA 18 Cb 0.17 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.65 0.95 0.18 0.00 -0.02 -1.26 -4.44 135.00 127.76 1g47 n PRO 19 Ca 0.00 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1g47 n PRO 19 Cb 0.00 -2.47 0.64 0.00 -0.02 0.00 0.00 33.50 31.64 1g47 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g47 h ALA 20 N 0.31 1.02 0.15 3.55 0.00 -2.02 1.30 119.26 123.57 1g47 h ALA 20 Ca -0.50 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1g47 h ALA 20 Cb 1.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1g47 h ALA 20 CO 0.52 -0.02 -0.97 1.49 0.00 0.00 0.00 179.25 180.27 1g47 h GLU 21 N 0.00 0.31 0.02 0.00 4.22 -2.01 -3.37 114.58 113.75 1g47 h GLU 21 Ca 0.00 -0.53 -0.31 0.00 0.08 0.00 0.00 59.36 58.60 1g47 h GLU 21 Cb 0.05 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1g47 h GLU 21 CO 0.00 1.25 -1.81 1.63 -2.18 0.00 0.00 179.01 177.90 1g47 n LYS 22 N -4.06 0.65 -3.32 1.92 5.02 -0.58 -4.11 118.16 113.68 1g47 n LYS 22 Ca -0.16 0.27 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 1g47 n LYS 22 Cb 0.86 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.58 5.19 -0.09 -0.18 -1.16 0.44 -4.21 121.20 118.61 1g47 s ILE 23 Ca -0.08 0.94 -0.04 0.00 -0.51 0.00 0.00 60.65 60.96 1g47 s ILE 23 Cb 0.08 -3.81 0.05 0.00 0.61 0.00 0.00 42.46 39.39 1g47 s ILE 23 CO 0.82 0.32 0.18 -0.69 -2.81 0.00 0.00 174.94 172.76 1g47 s VAL 24 N 0.68 -0.24 0.03 4.00 1.01 0.02 -4.43 120.40 121.46 1g47 s VAL 24 Ca 0.25 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1g47 s VAL 24 Cb -0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1g47 s VAL 24 CO 0.10 0.12 -0.08 0.21 0.00 0.00 0.00 175.10 175.45 1g47 s ASN 25 N 2.04 4.51 -0.23 3.32 2.47 -1.26 0.18 114.94 125.96 1g47 s ASN 25 Ca -0.00 -0.21 -0.17 0.00 0.42 0.00 0.00 52.86 52.89 1g47 s ASN 25 Cb -0.12 -0.99 0.07 0.00 -1.45 0.00 0.00 41.25 38.76 1g47 s ASN 25 CO -0.07 0.26 0.59 -0.94 -3.72 0.00 0.00 177.10 173.22 1g47 s SER 26 N -1.57 -0.71 0.00 -4.21 1.04 -0.92 -4.90 113.70 102.42 1g47 s SER 26 Ca 0.18 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1g47 s SER 26 Cb -0.11 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.19 1g47 s SER 26 CO 0.09 -0.22 0.00 -0.46 0.98 0.00 0.00 173.24 173.63 1g47 n ASN 27 N 3.63 0.00 0.00 7.02 0.23 -1.26 -2.08 115.26 122.80 1g47 n ASN 27 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 1g47 n ASN 27 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1g47 n GLY 28 N 0.00 0.20 3.94 4.83 0.00 -1.26 -4.89 105.19 108.01 1g47 n GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.74 -0.06 1.61 2.02 -0.88 -5.07 118.70 118.05 1g47 s GLU 29 Ca 0.00 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.60 1g47 s GLU 29 Cb 0.00 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 1g47 s GLU 29 CO 0.00 -1.56 -0.14 -0.51 0.02 0.00 0.00 175.26 173.07 1g47 s LEU 30 N -5.39 2.76 0.12 1.80 2.01 -1.26 -2.17 118.68 116.54 1g47 s LEU 30 Ca 0.64 -0.21 0.01 0.00 0.01 0.00 0.00 54.13 54.59 1g47 s LEU 30 Cb -0.08 -1.57 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 1g47 s LEU 30 CO 0.47 0.31 -0.02 -0.31 1.01 0.00 0.00 176.35 177.81 1g47 s TYR 31 N -0.54 0.91 0.67 0.29 1.51 0.46 -1.75 117.35 118.91 1g47 s TYR 31 Ca 0.08 -1.02 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 1g47 s TYR 31 Cb -0.12 -0.54 0.12 0.00 -0.11 0.00 0.00 41.96 41.31 1g47 s TYR 31 CO 0.01 -0.26 0.93 -1.01 -1.11 0.00 0.00 175.55 174.11 1g47 s HIS 32 N -3.75 1.49 -2.00 2.71 3.76 -1.26 -0.80 115.29 115.44 1g47 s HIS 32 Ca 0.16 -0.44 0.24 0.00 -0.15 0.00 0.00 55.06 54.88 1g47 s HIS 32 Cb 0.06 -2.73 1.46 0.00 1.11 0.00 0.00 32.58 32.48 1g47 s HIS 32 CO -0.02 -1.54 1.84 -0.85 -0.85 0.00 0.00 174.74 173.32 1g47 n GLU 33 N -2.65 0.82 -2.71 1.40 0.28 -1.26 -3.52 120.64 113.00 1g47 n GLU 33 Ca 0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.11 1g47 n GLU 33 Cb 0.61 -1.47 0.10 0.00 1.43 0.00 0.00 31.44 32.11 1g47 n GLU 33 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1g47 n GLN 34 N -0.97 1.36 0.00 3.44 7.27 -1.26 -2.09 117.38 125.13 1g47 n GLN 34 Ca 0.18 -2.15 0.00 0.00 0.07 0.00 0.00 57.00 55.10 1g47 n GLN 34 Cb 0.08 -0.37 0.00 0.00 2.41 0.00 0.00 30.24 32.37 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 -1.32 1.15 -4.23 0.00 3.01 -1.26 -4.62 117.46 110.19 1g47 n PHE 36 Ca 0.00 0.60 -0.27 0.00 1.01 0.00 0.00 57.45 58.79 1g47 n PHE 36 Cb 0.14 -2.36 -0.07 0.00 -0.01 0.00 0.00 39.48 37.18 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 6.90 1.99 -0.32 -4.37 -7.23 -1.26 -0.55 120.40 115.56 1g47 s VAL 37 Ca 1.20 -1.74 -0.20 0.00 -1.81 0.00 0.00 61.98 59.44 1g47 s VAL 37 Cb -1.31 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 1g47 s VAL 37 CO 0.59 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.98 1g47 n ALA 39 N 5.87 0.53 -0.01 0.00 0.00 0.80 0.24 120.51 127.94 1g47 n ALA 39 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1g47 n ALA 39 Cb 0.49 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.88 0.07 0.00 0.00 6.02 -1.26 -4.66 117.38 115.67 1g47 n GLN 40 Ca -0.01 0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.15 1g47 n GLN 40 Cb 0.36 -0.52 0.64 0.00 1.02 0.00 0.00 30.24 31.74 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 -1.29 -0.23 -2.15 0.00 3.72 0.65 -4.81 117.46 113.36 1g47 n PHE 42 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 1g47 n PHE 42 Cb 0.29 -3.42 -0.02 0.00 -0.94 0.00 0.00 39.48 35.38 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 3.83 1.04 -1.08 2.00 -1.26 -4.20 119.66 116.09 1g47 s GLN 43 Ca 0.00 1.64 -0.15 0.00 -2.00 0.00 0.00 55.36 54.85 1g47 s GLN 43 Cb 0.00 -4.01 0.21 0.00 0.80 0.00 0.00 33.01 30.00 1g47 s GLN 43 CO 0.00 -1.25 1.13 1.14 -0.50 0.00 0.00 175.29 175.81 1g47 s GLN 44 N 4.58 0.12 -0.29 1.67 -2.07 -1.26 -1.80 119.66 120.62 1g47 s GLN 44 Ca 0.70 0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 54.22 1g47 s GLN 44 Cb -0.24 -1.73 0.13 0.00 -1.09 0.00 0.00 33.01 30.07 1g47 s GLN 44 CO 0.28 -2.86 0.95 0.12 -1.32 0.00 0.00 175.29 172.46 1g47 s PHE 45 N -3.16 -0.61 0.00 9.60 5.36 0.29 -4.87 117.98 124.59 1g47 s PHE 45 Ca 0.67 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 1g47 s PHE 45 Cb -0.13 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 1g47 s PHE 45 CO 0.55 -0.30 0.00 -0.35 -1.46 0.00 0.00 175.22 173.66 1g47 n PRO 46 N 3.32 2.10 0.00 10.12 -0.04 -1.26 -4.05 135.00 145.19 1g47 n PRO 46 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1g47 n PRO 46 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1g47 n PRO 46 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g47 n GLU 47 N 0.00 0.00 -0.90 0.54 4.71 -1.16 -3.88 120.64 119.95 1g47 n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1g47 n GLU 47 Cb 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 31.44 30.20 1g47 n GLU 47 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1g47 n GLY 48 N 0.00 0.55 3.65 0.62 0.00 -0.89 -4.94 105.19 104.18 1g47 n GLY 48 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.10 0.00 0.99 0.20 -1.25 -4.90 118.68 113.62 1g47 s LEU 49 Ca 0.00 0.17 0.00 0.00 0.69 0.00 0.00 54.13 54.99 1g47 s LEU 49 Cb 0.00 1.16 0.00 0.00 -0.43 0.00 0.00 46.19 46.92 1g47 s LEU 49 CO 0.00 -0.03 0.00 2.22 -0.29 0.00 0.00 176.35 178.25 1g47 n PHE 50 N 2.62 0.00 -2.05 5.38 1.16 -1.26 -5.00 117.46 118.30 1g47 n PHE 50 Ca -0.15 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.05 1g47 n PHE 50 Cb 0.56 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 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 2.48 -1.65 2.97 4.01 -0.13 -4.98 117.16 119.87 1g47 n TYR 51 Ca 0.00 -2.56 -0.30 0.00 -0.16 0.00 0.00 57.90 54.88 1g47 n TYR 51 Cb 0.00 -1.56 0.09 0.00 -0.31 0.00 0.00 39.34 37.56 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 -2.22 2.03 0.34 -0.72 4.04 -1.23 -0.80 118.70 120.14 1g47 s GLU 52 Ca 0.51 0.48 -0.11 0.00 0.04 0.00 0.00 54.97 55.89 1g47 s GLU 52 Cb 0.24 -1.93 0.03 0.00 0.02 0.00 0.00 34.13 32.49 1g47 s GLU 52 CO -0.15 -1.62 0.63 -0.06 -1.84 0.00 0.00 175.26 172.22 1g47 s PHE 53 N -3.26 0.43 -0.16 4.83 0.08 0.35 -4.76 117.98 115.49 1g47 s PHE 53 Ca 0.61 -0.90 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 1g47 s PHE 53 Cb -0.13 0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 42.71 1g47 s PHE 53 CO 0.53 -1.31 1.60 -2.00 -0.10 0.00 0.00 175.22 173.94 1g47 s GLU 54 N -2.97 3.95 0.00 0.44 2.12 -1.26 -2.59 118.70 118.39 1g47 s GLU 54 Ca 0.21 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1g47 s GLU 54 Cb -0.03 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1g47 s GLU 54 CO 0.14 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1g47 n GLY 55 N 4.41 0.88 3.19 -1.50 0.00 -1.26 -4.91 105.19 106.00 1g47 n GLY 55 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1g47 n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g47 s ARG 56 N -0.31 0.34 0.13 1.61 0.52 -1.07 -5.15 118.95 115.03 1g47 s ARG 56 Ca 0.00 0.54 0.08 0.00 -0.52 0.00 0.00 55.73 55.83 1g47 s ARG 56 Cb 0.00 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 1g47 s ARG 56 CO 0.00 -0.10 -0.19 -1.59 0.02 0.00 0.00 175.30 173.44 1g47 s LYS 57 N 0.68 1.19 -0.02 3.54 0.00 -1.26 0.13 119.74 123.99 1g47 s LYS 57 Ca -0.04 -1.29 -0.11 0.00 0.00 0.00 0.00 55.97 54.53 1g47 s LYS 57 Cb -0.05 -1.31 0.02 0.00 0.00 0.00 0.00 37.83 36.48 1g47 s LYS 57 CO -0.04 0.28 0.24 0.71 0.00 0.00 0.00 175.35 176.54 1g47 s TYR 58 N -1.68 -0.12 0.68 1.78 2.02 0.02 -0.14 117.35 119.90 1g47 s TYR 58 Ca 0.11 0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 1g47 s TYR 58 Cb -0.07 0.05 0.09 0.00 -0.40 0.00 0.00 41.96 41.62 1g47 s TYR 58 CO 0.05 -0.31 0.95 0.00 -1.57 0.00 0.00 175.55 174.67 1g47 n GLU 60 N -2.75 0.34 0.00 0.00 4.07 -1.26 -3.29 120.64 117.75 1g47 n GLU 60 Ca 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1g47 n GLU 60 Cb 0.60 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 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 -0.67 0.00 -0.15 4.31 -0.00 -1.26 -1.79 115.22 115.66 1g47 n HIS 61 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.84 1g47 n HIS 61 Cb 0.01 -0.20 0.42 0.00 -0.00 0.00 0.00 29.99 30.22 1g47 n HIS 61 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1g47 h ASP 62 N 0.00 0.53 0.43 0.26 3.32 -1.96 -1.81 116.42 117.18 1g47 h ASP 62 Ca 0.00 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 1g47 h ASP 62 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1g47 h ASP 62 CO 0.00 0.32 -0.79 -0.26 -1.72 0.00 0.00 179.24 176.79 1g47 h PHE 63 N 0.59 0.40 0.00 4.55 -1.00 -1.73 -2.92 116.94 116.83 1g47 h PHE 63 Ca 0.31 -0.19 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 1g47 h PHE 63 Cb 0.45 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1g47 h PHE 63 CO -0.00 0.96 -0.24 -0.56 -1.61 0.00 0.00 178.31 176.87 1g47 h GLN 64 N 0.18 0.00 -0.46 1.51 -0.00 -0.52 -1.47 115.11 114.34 1g47 h GLN 64 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.50 1g47 h GLN 64 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.85 1g47 h GLN 64 CO 0.13 0.24 -0.16 0.52 -0.00 0.00 0.00 178.83 179.56 1g47 h MET 65 N 0.00 0.92 0.00 0.06 2.86 -1.30 -1.02 114.93 116.45 1g47 h MET 65 Ca -0.00 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1g47 h MET 65 Cb 0.62 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1g47 h MET 65 CO 0.03 1.03 -0.06 -0.07 1.06 0.00 0.00 176.91 178.91 1g47 h LEU 66 N 0.76 0.00 -2.45 1.22 3.38 -1.20 -3.47 115.31 113.56 1g47 h LEU 66 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1g47 h LEU 66 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1g47 h LEU 66 CO 0.05 0.06 -0.56 0.33 0.09 0.00 0.00 178.44 178.41 1g47 n PHE 67 N -3.23 -2.64 -3.75 1.13 -0.00 -0.39 -5.01 117.46 103.58 1g47 n PHE 67 Ca -0.00 1.13 -0.28 0.00 -0.00 0.00 0.00 57.45 58.29 1g47 n PHE 67 Cb 0.27 -3.26 -0.12 0.00 -0.00 0.00 0.00 39.48 36.37 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1g47 s ALA 68 N -1.49 2.87 -0.33 3.13 0.00 -1.25 -5.05 121.76 119.63 1g47 s ALA 68 Ca 0.06 -3.20 -0.27 0.00 0.00 0.00 0.00 51.96 48.54 1g47 s ALA 68 Cb -0.02 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 1g47 s ALA 68 CO 0.54 -2.05 2.18 -1.25 0.00 0.00 0.00 175.76 175.17 1g47 s PRO 69 N -0.60 2.86 0.00 0.00 0.04 -1.26 -5.03 135.00 131.00 1g47 s PRO 69 Ca 0.24 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1g47 s PRO 69 Cb -0.09 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1g47 s PRO 69 CO -0.12 -2.42 0.00 0.00 0.04 0.00 0.00 177.00 174.51