#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 h ASP 2 N 0.00 0.04 -3.76 0.00 5.19 -1.98 -3.40 116.42 112.51 1f22 h ASP 2 Ca 0.00 -0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.93 1f22 h ASP 2 Cb 0.00 -0.01 -0.18 0.00 0.18 0.00 0.00 39.33 39.32 1f22 h ASP 2 CO 0.00 0.03 -0.77 0.54 -3.12 0.00 0.00 179.24 175.92 1f22 s VAL 3 N -5.10 1.61 0.23 -1.35 0.11 -1.26 -0.04 120.40 114.59 1f22 s VAL 3 Ca -0.05 -1.84 0.07 0.00 -2.93 0.00 0.00 61.98 57.22 1f22 s VAL 3 Cb 0.17 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 1f22 s VAL 3 CO 0.68 -0.37 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.30 1f22 s VAL 4 N -2.12 1.57 -0.01 2.04 1.01 -0.33 -4.80 120.40 117.75 1f22 s VAL 4 Ca 0.13 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 59.97 1f22 s VAL 4 Cb -0.05 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1f22 s VAL 4 CO 0.05 -0.48 -0.02 0.28 0.00 0.00 0.00 175.10 174.93 1f22 s THR 5 N -3.07 0.21 -0.70 3.92 -1.32 -1.26 -1.20 115.64 112.22 1f22 s THR 5 Ca 0.25 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1f22 s THR 5 Cb 0.02 -0.22 0.07 0.00 -1.51 0.00 0.00 72.50 70.85 1f22 s THR 5 CO 0.08 0.09 1.04 -0.31 -2.21 0.00 0.00 174.62 173.31 1f22 s TYR 6 N 0.33 2.63 0.30 9.09 2.02 0.51 -4.95 117.35 127.29 1f22 s TYR 6 Ca -0.03 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 1f22 s TYR 6 Cb -0.06 -4.36 -0.11 0.00 -0.40 0.00 0.00 41.96 37.04 1f22 s TYR 6 CO -0.01 -1.72 1.50 -2.00 -1.57 0.00 0.00 175.55 171.75 1f22 s GLU 7 N 4.27 4.18 0.26 -0.62 2.12 -1.26 -0.88 118.70 126.78 1f22 s GLU 7 Ca 0.25 2.46 -0.18 0.00 0.36 0.00 0.00 54.97 57.87 1f22 s GLU 7 Cb -0.14 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.22 1f22 s GLU 7 CO 0.09 -0.51 0.62 0.54 -0.54 0.00 0.00 175.26 175.47 1f22 s ASN 8 N 0.22 -0.21 -0.05 -1.70 2.20 -1.26 -4.91 114.94 109.23 1f22 s ASN 8 Ca 0.58 -0.69 -0.11 0.00 -0.94 0.00 0.00 52.86 51.71 1f22 s ASN 8 Cb -0.45 0.67 -0.30 0.00 -2.00 0.00 0.00 41.25 39.16 1f22 s ASN 8 CO 0.50 -1.25 0.65 0.50 -2.94 0.00 0.00 177.10 174.57 1f22 h LYS 9 N 2.10 0.39 -0.49 3.55 3.64 -2.01 -3.24 116.57 120.50 1f22 h LYS 9 Ca -0.22 -0.66 0.04 0.00 -1.27 0.00 0.00 60.65 58.53 1f22 h LYS 9 Cb 1.25 0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 1f22 h LYS 9 CO 0.29 1.31 0.26 1.57 -2.27 0.00 0.00 179.45 180.61 1f22 h LYS 10 N 0.11 0.49 0.00 1.90 5.09 -1.99 -3.45 116.57 118.72 1f22 h LYS 10 Ca -0.35 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.36 1f22 h LYS 10 Cb 2.10 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 34.32 1f22 h LYS 10 CO 0.17 0.33 0.00 0.41 -2.09 0.00 0.00 179.45 178.27 1f22 n GLY 11 N -1.24 0.70 1.07 0.07 0.00 -1.23 -4.80 105.19 99.75 1f22 n GLY 11 Ca 0.04 0.61 -0.20 0.00 0.00 0.00 0.00 46.02 46.47 1f22 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f22 n ASN 12 N 0.00 0.29 -4.44 1.61 5.03 -1.23 -4.26 115.26 112.26 1f22 n ASN 12 Ca 0.00 0.27 -0.44 0.00 0.87 0.00 0.00 54.58 55.29 1f22 n ASN 12 Cb 0.00 -0.28 -0.06 0.00 -1.02 0.00 0.00 39.78 38.42 1f22 n ASN 12 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1f22 s VAL 13 N 1.49 4.92 -0.13 2.41 1.01 -0.06 -1.05 120.40 128.99 1f22 s VAL 13 Ca 0.35 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1f22 s VAL 13 Cb -0.46 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 1f22 s VAL 13 CO 0.22 -0.76 0.21 -0.89 0.00 0.00 0.00 175.10 173.88 1f22 s THR 14 N 2.50 5.37 -0.09 3.92 2.01 -1.20 -0.36 115.64 127.79 1f22 s THR 14 Ca 0.14 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.44 1f22 s THR 14 Cb -0.20 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.83 1f22 s THR 14 CO 0.12 0.52 0.22 0.72 -0.69 0.00 0.00 174.62 175.50 1f22 s PHE 15 N -0.35 -0.26 0.79 4.92 -0.71 -0.34 -4.87 117.98 117.17 1f22 s PHE 15 Ca 0.15 0.63 -0.11 0.00 -1.04 0.00 0.00 56.93 56.56 1f22 s PHE 15 Cb -0.13 0.06 0.07 0.00 -1.21 0.00 0.00 43.02 41.82 1f22 s PHE 15 CO 0.04 -0.15 1.11 -0.51 -1.34 0.00 0.00 175.22 174.37 1f22 s ASP 16 N 0.53 4.15 0.02 1.98 1.11 -1.26 -1.19 116.67 122.01 1f22 s ASP 16 Ca -0.03 1.96 -0.01 0.00 0.18 0.00 0.00 52.55 54.65 1f22 s ASP 16 Cb -0.05 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 1f22 s ASP 16 CO -0.03 -2.28 -0.02 1.57 1.18 0.00 0.00 175.17 175.59 1f22 n HIS 17 N -3.54 0.00 0.13 4.23 -0.00 0.94 -4.54 115.22 112.44 1f22 n HIS 17 Ca 0.10 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.13 1f22 n HIS 17 Cb 0.52 -0.03 -0.07 0.00 -0.12 0.00 0.00 29.99 30.29 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1f22 h LYS 18 N -0.07 -0.65 0.01 1.57 3.11 -0.91 0.18 116.57 119.81 1f22 h LYS 18 Ca 0.00 0.04 0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1f22 h LYS 18 Cb 0.07 0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 31.40 1f22 h LYS 18 CO 0.00 -0.44 -0.35 0.00 -2.81 0.00 0.00 179.45 175.85 1f22 h ALA 19 N -0.22 -0.53 -0.96 5.00 0.00 -1.88 0.22 119.26 120.89 1f22 h ALA 19 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1f22 h ALA 19 Cb 0.69 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1f22 h ALA 19 CO -0.22 -0.87 0.61 0.45 0.00 0.00 0.00 179.25 179.22 1f22 h HIS 20 N -0.51 1.02 0.08 0.00 3.86 -1.77 -0.11 115.15 117.71 1f22 h HIS 20 Ca 0.06 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1f22 h HIS 20 Cb 0.59 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1f22 h HIS 20 CO -0.36 0.39 -0.04 0.00 0.86 0.00 0.00 177.93 178.77 1f22 h ALA 21 N 1.57 -0.11 -0.31 2.45 0.00 0.15 0.18 119.26 123.18 1f22 h ALA 21 Ca 0.48 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1f22 h ALA 21 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1f22 h ALA 21 CO -0.25 -0.45 -0.36 1.05 0.00 0.00 0.00 179.25 179.24 1f22 h GLU 22 N -0.34 0.72 -0.69 0.00 4.11 -0.31 0.79 114.58 118.86 1f22 h GLU 22 Ca -0.01 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 59.00 1f22 h GLU 22 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1f22 h GLU 22 CO 0.02 0.97 0.20 0.87 0.07 0.00 0.00 179.01 181.14 1f22 h LYS 23 N 0.60 1.08 0.00 1.06 1.79 -0.98 -3.40 116.57 116.72 1f22 h LYS 23 Ca 0.06 -0.24 -0.20 0.00 -2.18 0.00 0.00 60.65 58.09 1f22 h LYS 23 Cb 0.90 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 1f22 h LYS 23 CO 0.08 0.94 -1.64 1.28 -1.08 0.00 0.00 179.45 179.04 1f22 n LEU 24 N -4.30 0.89 0.00 2.94 4.77 0.61 -5.08 117.00 116.84 1f22 n LEU 24 Ca 0.05 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1f22 n LEU 24 Cb 0.23 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1f22 n LEU 24 CO 0.41 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1f22 n GLY 25 N 2.25 0.00 0.18 -0.72 0.00 0.27 -4.81 105.19 102.36 1f22 n GLY 25 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1f22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 h ASP 27 N 0.00 0.46 -0.40 0.00 5.19 -1.88 0.11 116.42 119.90 1f22 h ASP 27 Ca 0.00 0.17 0.09 0.00 -0.62 0.00 0.00 57.03 56.67 1f22 h ASP 27 Cb 0.00 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.56 1f22 h ASP 27 CO 0.00 -0.05 -0.07 0.00 -3.12 0.00 0.00 179.24 176.00 1f22 n ALA 28 N -2.39 0.13 0.00 3.45 0.00 -1.26 -3.36 120.51 117.08 1f22 n ALA 28 Ca 0.27 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1f22 n ALA 28 Cb 0.82 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1f22 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 s HIS 30 N -1.77 3.08 0.00 0.00 3.76 -0.03 -5.04 115.29 115.30 1f22 s HIS 30 Ca 0.00 -1.39 0.00 0.00 -0.15 0.00 0.00 55.06 53.52 1f22 s HIS 30 Cb 0.00 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1f22 s HIS 30 CO 0.00 -0.68 0.00 0.39 -0.85 0.00 0.00 174.74 173.60 1f22 n GLU 31 N 4.72 0.00 -0.33 1.40 1.02 -1.26 -3.67 120.64 122.51 1f22 n GLU 31 Ca -0.16 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1f22 n GLU 31 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.22 1f22 n GLU 31 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1f22 h GLY 32 N 0.00 1.74 -4.73 0.62 0.00 -1.98 -3.41 103.07 95.30 1f22 h GLY 32 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1f22 h GLY 32 CO 0.00 -0.16 -0.07 -1.08 0.00 0.00 0.00 176.54 175.22 1f22 s THR 33 N -5.85 0.01 -0.07 4.70 -1.32 -1.26 -5.11 115.64 106.75 1f22 s THR 33 Ca -0.11 -0.11 -0.24 0.00 -1.21 0.00 0.00 61.69 60.02 1f22 s THR 33 Cb 0.25 -0.77 -0.19 0.00 -1.51 0.00 0.00 72.50 70.28 1f22 s THR 33 CO 0.79 -0.06 0.91 1.55 -2.21 0.00 0.00 174.62 175.60 1f22 h PRO 34 N 4.43 -0.08 -5.46 7.08 0.13 -1.90 -3.47 132.00 132.74 1f22 h PRO 34 Ca -0.28 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1f22 h PRO 34 Cb 1.17 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1f22 h PRO 34 CO 0.28 0.52 -0.05 0.00 -0.23 0.00 0.00 178.00 178.52 1f22 n ALA 35 N -2.53 -1.06 -1.52 -0.56 0.00 -1.26 -4.30 120.51 109.28 1f22 n ALA 35 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1f22 n ALA 35 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1f22 n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f22 n LYS 36 N -1.19 -4.29 0.00 0.00 5.02 -1.26 -5.01 118.16 111.42 1f22 n LYS 36 Ca -0.02 3.22 0.00 0.00 -2.02 0.00 0.00 58.31 59.50 1f22 n LYS 36 Cb 0.04 -3.71 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 1f22 n LYS 36 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1f22 n ILE 37 N -1.26 0.12 -3.42 -0.18 -5.35 -1.26 -5.09 119.36 102.92 1f22 n ILE 37 Ca 0.00 -0.17 -0.18 0.00 -0.27 0.00 0.00 62.75 62.13 1f22 n ILE 37 Cb 0.10 1.32 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1f22 n ALA 38 N -0.06 -2.23 -2.58 -1.28 0.00 -1.26 -4.79 120.51 108.31 1f22 n ALA 38 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1f22 n ALA 38 Cb 0.32 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 1f22 n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f22 s ILE 39 N -2.74 4.43 0.26 0.00 1.01 -1.26 -5.01 121.20 117.89 1f22 s ILE 39 Ca 0.02 0.90 0.06 0.00 0.00 0.00 0.00 60.65 61.63 1f22 s ILE 39 Cb -0.01 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1f22 s ILE 39 CO 0.61 -0.84 0.35 1.51 0.00 0.00 0.00 174.94 176.58 1f22 s ASP 40 N 2.26 6.13 0.23 3.58 1.47 -1.26 -4.78 116.67 124.29 1f22 s ASP 40 Ca 0.40 -0.03 -0.10 0.00 1.18 0.00 0.00 52.55 53.99 1f22 s ASP 40 Cb -0.10 -1.67 0.33 0.00 -0.34 0.00 0.00 42.92 41.14 1f22 s ASP 40 CO 0.27 -0.13 1.36 1.17 0.68 0.00 0.00 175.17 178.51 1f22 n LYS 41 N -1.41 -0.13 -0.26 2.11 4.81 -1.26 -0.30 118.16 121.73 1f22 n LYS 41 Ca -0.07 1.35 -0.03 0.00 -0.87 0.00 0.00 58.31 58.69 1f22 n LYS 41 Cb 0.57 -2.02 -0.00 0.00 0.02 0.00 0.00 35.03 33.60 1f22 n LYS 41 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1f22 n LYS 42 N -5.37 -0.20 -0.13 1.64 4.81 -1.26 -0.19 118.16 117.46 1f22 n LYS 42 Ca 0.12 0.98 -0.22 0.00 -0.87 0.00 0.00 58.31 58.33 1f22 n LYS 42 Cb 0.40 -1.46 -0.11 0.00 0.02 0.00 0.00 35.03 33.89 1f22 n LYS 42 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1f22 n SER 43 N -4.90 1.98 -0.37 3.14 3.41 0.58 -4.25 113.62 113.21 1f22 n SER 43 Ca 0.05 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1f22 n SER 43 Cb 0.23 -0.54 0.06 0.00 -0.26 0.00 0.00 64.21 63.69 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f22 n ALA 44 N -3.59 -0.05 -0.91 7.33 0.00 0.59 -0.66 120.51 123.23 1f22 n ALA 44 Ca -0.48 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 1f22 n ALA 44 Cb 0.95 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1f22 n ALA 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1f22 n HIS 45 N -5.46 0.43 0.00 0.00 8.25 0.73 -1.10 115.22 118.07 1f22 n HIS 45 Ca 0.11 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.10 1f22 n HIS 45 Cb 0.41 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.36 1f22 n HIS 45 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1f22 n LYS 46 N 1.69 0.00 0.00 -0.41 0.00 -0.79 -4.94 118.16 113.71 1f22 n LYS 46 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1f22 n LYS 46 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.72 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1f22 n ASP 47 N 0.00 0.00 0.00 3.14 8.00 -0.43 -4.59 116.55 122.67 1f22 n ASP 47 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1f22 n ASP 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f22 n ALA 48 N 0.00 0.00 0.33 2.24 0.00 0.16 -4.71 120.51 118.53 1f22 n ALA 48 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1f22 n ALA 48 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1f22 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 h LYS 50 N -1.11 0.60 0.27 0.00 1.57 -1.39 -0.20 116.57 116.31 1f22 h LYS 50 Ca -0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1f22 h LYS 50 Cb 0.66 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1f22 h LYS 50 CO 0.15 0.39 -0.13 1.15 -0.57 0.00 0.00 179.45 180.44 1f22 h THR 51 N 0.61 0.74 -0.83 -0.16 2.02 -1.70 0.13 112.91 113.72 1f22 h THR 51 Ca 0.25 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1f22 h THR 51 Cb 0.20 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1f22 h THR 51 CO -0.07 0.13 0.44 0.00 0.37 0.00 0.00 175.52 176.39 1f22 h HIS 53 N 1.17 -0.49 -0.01 0.00 -0.00 -1.08 -3.25 115.15 111.49 1f22 h HIS 53 Ca 0.29 -0.01 -0.62 0.00 -0.00 0.00 0.00 60.37 60.03 1f22 h HIS 53 Cb 0.06 0.16 0.08 0.00 -0.00 0.00 0.00 27.41 27.71 1f22 h HIS 53 CO 0.01 -0.30 1.97 1.63 -0.00 0.00 0.00 177.93 181.24 1f22 n LYS 54 N -5.32 1.02 0.00 2.45 5.02 0.44 0.10 118.16 121.88 1f22 n LYS 54 Ca -0.11 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1f22 n LYS 54 Cb 0.23 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f22 n SER 55 N 8.15 0.00 -0.03 4.39 2.88 -1.25 -4.87 113.62 122.89 1f22 n SER 55 Ca 0.49 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 58.02 1f22 n SER 55 Cb 0.41 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1f22 n SER 55 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1f22 h ASN 56 N 0.00 0.00 0.00 -3.46 2.35 -0.84 -3.51 115.58 110.12 1f22 h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f22 h ASN 56 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1f22 h ASN 56 CO 0.00 0.28 0.00 -3.20 -1.65 0.00 0.00 177.43 172.86 1f22 n ASN 57 N -3.39 0.00 -3.70 5.81 5.15 0.11 -5.11 115.26 114.13 1f22 n ASN 57 Ca -0.01 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.83 1f22 n ASN 57 Cb 0.03 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.20 1f22 n ASN 57 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1f22 s GLY 58 N 0.00 -0.31 0.77 8.20 0.00 -1.25 -4.19 107.32 110.53 1f22 s GLY 58 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.51 1f22 s GLY 58 CO 0.00 0.68 1.09 2.56 0.00 0.00 0.00 173.10 177.43 1f22 s PRO 59 N -0.65 2.35 -0.12 2.90 0.04 -1.26 -4.96 135.00 133.29 1f22 s PRO 59 Ca -0.07 0.70 0.22 0.00 0.04 0.00 0.00 61.00 61.88 1f22 s PRO 59 Cb -0.03 -1.94 0.42 0.00 0.04 0.00 0.00 34.50 32.99 1f22 s PRO 59 CO 0.04 -1.45 1.16 0.25 0.04 0.00 0.00 177.00 177.04 1f22 n THR 60 N -3.33 0.48 -2.13 1.26 -2.24 -1.26 -4.85 114.28 102.21 1f22 n THR 60 Ca 0.07 -1.64 -0.04 0.00 -2.27 0.00 0.00 64.05 60.16 1f22 n THR 60 Cb 0.56 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f22 n LYS 61 N -0.09 0.05 0.00 -0.78 4.76 -1.26 -5.14 118.16 115.70 1f22 n LYS 61 Ca 0.02 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.22 1f22 n LYS 61 Cb 0.96 0.38 0.00 0.00 -1.84 0.00 0.00 35.03 34.53 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f22 n GLY 63 N 0.00 0.55 0.10 0.00 0.00 -1.26 -4.84 105.19 99.74 1f22 n GLY 63 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1f22 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f22 n GLY 64 N -0.96 -0.84 1.57 -0.02 0.00 -1.26 -4.83 105.19 98.85 1f22 n GLY 64 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1f22 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 n HIS 66 N -3.04 2.51 -1.24 0.00 -0.00 -1.26 -3.27 115.22 108.92 1f22 n HIS 66 Ca 0.00 -0.20 -0.27 0.00 -0.00 0.00 0.00 57.72 57.26 1f22 n HIS 66 Cb 0.13 -2.74 -0.09 0.00 -0.00 0.00 0.00 29.99 27.29 1f22 n HIS 66 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1f22 n ILE 67 N 5.06 3.76 0.00 1.59 2.08 -0.21 -4.54 119.36 127.10 1f22 n ILE 67 Ca 0.20 -2.27 0.00 0.00 0.56 0.00 0.00 62.75 61.23 1f22 n ILE 67 Cb 0.37 -2.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.02 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40