#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 n ASP 2 N 0.00 -0.09 -1.29 0.00 5.75 -1.26 -3.63 116.55 116.03 1f22 n ASP 2 Ca 0.00 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1f22 n ASP 2 Cb 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 38.90 1f22 n ASP 2 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1f22 n VAL 3 N 7.05 -2.27 -4.52 2.12 0.31 -1.26 -4.89 118.33 114.87 1f22 n VAL 3 Ca 0.32 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.39 1f22 n VAL 3 Cb 0.43 -3.17 -0.10 0.00 -0.91 0.00 0.00 33.84 30.08 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1f22 s VAL 4 N 0.00 2.30 0.00 2.52 1.01 -0.74 -5.01 120.40 120.49 1f22 s VAL 4 Ca 0.00 -2.20 0.05 0.00 0.00 0.00 0.00 61.98 59.82 1f22 s VAL 4 Cb 0.00 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1f22 s VAL 4 CO 0.00 -0.22 -0.15 0.28 0.00 0.00 0.00 175.10 175.01 1f22 s THR 5 N -2.59 1.22 -0.65 3.92 -1.32 -1.26 -0.92 115.64 114.03 1f22 s THR 5 Ca 0.32 -0.76 -0.28 0.00 -1.21 0.00 0.00 61.69 59.77 1f22 s THR 5 Cb 0.02 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1f22 s THR 5 CO 0.17 0.26 1.28 -0.31 -2.21 0.00 0.00 174.62 173.81 1f22 s TYR 6 N -0.49 2.40 -1.20 9.09 2.02 -0.52 -4.91 117.35 123.74 1f22 s TYR 6 Ca 0.05 0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.84 1f22 s TYR 6 Cb -0.06 -4.54 -0.06 0.00 -0.40 0.00 0.00 41.96 36.90 1f22 s TYR 6 CO -0.00 -1.87 2.26 -0.85 -1.57 0.00 0.00 175.55 173.52 1f22 n GLU 7 N 8.90 2.50 -2.15 -0.62 0.28 -1.26 -0.79 120.64 127.49 1f22 n GLU 7 Ca 0.07 -2.12 -0.26 0.00 -0.16 0.00 0.00 57.16 54.69 1f22 n GLU 7 Cb 0.49 -2.95 0.07 0.00 1.43 0.00 0.00 31.44 30.48 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1f22 s ASN 8 N 3.56 4.72 0.03 -1.84 6.03 -1.26 -4.96 114.94 121.22 1f22 s ASN 8 Ca 0.53 0.49 -0.17 0.00 -1.03 0.00 0.00 52.86 52.68 1f22 s ASN 8 Cb 0.14 -1.10 -0.25 0.00 -3.03 0.00 0.00 41.25 37.01 1f22 s ASN 8 CO -0.02 -1.67 1.12 0.50 -2.03 0.00 0.00 177.10 175.00 1f22 h LYS 9 N -0.69 0.55 -0.86 3.55 3.11 -2.01 -3.30 116.57 116.92 1f22 h LYS 9 Ca -0.45 -0.63 0.22 0.00 -2.81 0.00 0.00 60.65 56.99 1f22 h LYS 9 Cb 1.32 0.19 -0.16 0.00 -1.00 0.00 0.00 32.23 32.57 1f22 h LYS 9 CO 0.60 1.24 -0.04 1.63 -2.81 0.00 0.00 179.45 180.08 1f22 n LYS 10 N -4.01 -0.07 0.00 1.90 4.76 -1.26 -4.72 118.16 114.76 1f22 n LYS 10 Ca -0.11 1.30 0.00 0.00 -2.87 0.00 0.00 58.31 56.62 1f22 n LYS 10 Cb 0.81 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1f22 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1f22 n GLY 11 N -1.46 2.42 3.65 0.72 0.00 -1.24 -4.57 105.19 104.71 1f22 n GLY 11 Ca 0.19 0.03 -0.58 0.00 0.00 0.00 0.00 46.02 45.66 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 2.14 -4.56 1.61 5.03 -1.24 -4.06 115.26 114.18 1f22 n ASN 12 Ca 0.00 0.97 -0.41 0.00 0.87 0.00 0.00 54.58 56.01 1f22 n ASN 12 Cb 0.00 -1.12 -0.03 0.00 -1.02 0.00 0.00 39.78 37.62 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 4.20 3.72 0.03 2.41 1.01 0.03 -4.26 120.40 127.54 1f22 s VAL 13 Ca 1.02 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 1f22 s VAL 13 Cb -1.11 -4.69 -0.06 0.00 0.00 0.00 0.00 36.38 30.52 1f22 s VAL 13 CO 0.65 -1.56 1.33 0.28 0.00 0.00 0.00 175.10 175.80 1f22 s THR 14 N 6.12 3.77 -0.09 3.92 -1.32 -1.25 -1.44 115.64 125.36 1f22 s THR 14 Ca 0.43 1.21 -0.00 0.00 -1.21 0.00 0.00 61.69 62.11 1f22 s THR 14 Cb -0.09 -3.77 0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1f22 s THR 14 CO 0.19 0.04 -0.05 0.72 -2.21 0.00 0.00 174.62 173.30 1f22 s PHE 15 N 1.82 1.17 0.94 9.09 -0.71 -0.10 -4.95 117.98 125.24 1f22 s PHE 15 Ca 0.62 -0.51 -0.11 0.00 -1.04 0.00 0.00 56.93 55.89 1f22 s PHE 15 Cb -0.31 -1.04 0.14 0.00 -1.21 0.00 0.00 43.02 40.59 1f22 s PHE 15 CO 0.27 -0.41 1.04 -0.25 -1.34 0.00 0.00 175.22 174.52 1f22 n ASP 16 N 4.85 -0.10 0.00 1.98 8.00 -1.26 -1.78 116.55 128.23 1f22 n ASP 16 Ca -0.13 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1f22 n ASP 16 Cb 0.50 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1f22 n HIS 17 N -4.21 -0.05 -0.15 1.24 -0.00 -1.26 -4.63 115.22 106.16 1f22 n HIS 17 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.80 1f22 n HIS 17 Cb 0.52 0.39 0.06 0.00 -0.00 0.00 0.00 29.99 30.96 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1f22 h LYS 18 N 0.00 0.15 -0.05 1.57 3.11 -1.90 0.41 116.57 119.85 1f22 h LYS 18 Ca 0.00 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1f22 h LYS 18 Cb 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1f22 h LYS 18 CO 0.00 0.10 -0.05 0.00 -2.81 0.00 0.00 179.45 176.69 1f22 h ALA 19 N 1.42 -0.01 -0.56 5.00 0.00 -1.97 0.14 119.26 123.28 1f22 h ALA 19 Ca 0.25 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1f22 h ALA 19 Cb 0.36 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1f22 h ALA 19 CO -0.38 -0.53 0.39 0.45 0.00 0.00 0.00 179.25 179.18 1f22 h HIS 20 N -0.07 0.22 0.40 0.00 3.86 -1.60 0.22 115.15 118.19 1f22 h HIS 20 Ca 0.04 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1f22 h HIS 20 Cb 0.13 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1f22 h HIS 20 CO -0.15 0.10 -0.19 0.00 0.86 0.00 0.00 177.93 178.55 1f22 h ALA 21 N 1.72 -0.54 -0.64 2.45 0.00 0.19 0.85 119.26 123.29 1f22 h ALA 21 Ca 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1f22 h ALA 21 Cb 0.77 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1f22 h ALA 21 CO -0.05 -0.58 0.22 1.05 0.00 0.00 0.00 179.25 179.89 1f22 h GLU 22 N -0.99 0.99 0.80 0.00 4.11 -0.55 0.60 114.58 119.53 1f22 h GLU 22 Ca -0.06 -0.20 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1f22 h GLU 22 Cb 0.54 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1f22 h GLU 22 CO 0.09 0.86 -0.39 0.87 0.07 0.00 0.00 179.01 180.51 1f22 h LYS 23 N 0.92 -1.04 0.02 1.06 1.79 -1.05 -3.40 116.57 114.87 1f22 h LYS 23 Ca 0.21 0.07 -0.36 0.00 -2.18 0.00 0.00 60.65 58.39 1f22 h LYS 23 Cb 0.27 0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 1f22 h LYS 23 CO -0.01 -0.69 -2.01 1.28 -1.08 0.00 0.00 179.45 176.94 1f22 n LEU 24 N -5.55 2.19 0.00 2.94 4.77 0.29 -5.07 117.00 116.57 1f22 n LEU 24 Ca -0.15 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1f22 n LEU 24 Cb 0.43 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1f22 n LEU 24 CO 0.39 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1f22 n GLY 25 N 1.58 -0.12 0.00 -0.72 0.00 0.21 -4.82 105.19 101.32 1f22 n GLY 25 Ca -0.42 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1f22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 n ASP 27 N 0.00 -0.01 -0.24 0.00 5.75 -1.16 -0.46 116.55 120.44 1f22 n ASP 27 Ca 0.00 1.09 0.15 0.00 -0.01 0.00 0.00 54.79 56.02 1f22 n ASP 27 Cb 0.00 -0.43 0.28 0.00 -1.03 0.00 0.00 41.12 39.94 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 n ALA 28 N -3.15 0.49 0.00 2.12 0.00 -1.26 -3.46 120.51 115.25 1f22 n ALA 28 Ca 0.17 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1f22 n ALA 28 Cb 0.57 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.57 2.56 0.00 0.00 3.76 0.40 -5.03 115.29 115.40 1f22 s HIS 30 Ca 0.00 -1.72 0.00 0.00 -0.15 0.00 0.00 55.06 53.19 1f22 s HIS 30 Cb 0.00 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1f22 s HIS 30 CO 0.00 -0.77 0.56 0.39 -0.85 0.00 0.00 174.74 174.07 1f22 n GLU 31 N 4.64 0.00 -1.63 1.40 1.02 -1.26 -2.98 120.64 121.83 1f22 n GLU 31 Ca -0.15 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1f22 n GLU 31 Cb 0.46 -1.22 0.01 0.00 -0.02 0.00 0.00 31.44 30.66 1f22 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f22 n GLY 32 N 0.25 1.05 3.60 0.62 0.00 -1.26 -4.80 105.19 104.63 1f22 n GLY 32 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 1f22 n GLY 32 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f22 s THR 33 N -0.51 -0.95 0.00 2.61 -1.32 -1.26 -5.12 115.64 109.08 1f22 s THR 33 Ca 0.22 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1f22 s THR 33 Cb 0.28 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 1f22 s THR 33 CO -0.10 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.50 1f22 n PRO 34 N 5.41 0.00 -4.04 7.08 -0.04 -1.26 -4.80 135.00 137.35 1f22 n PRO 34 Ca -0.11 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.04 1f22 n PRO 34 Cb 0.49 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 1f22 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f22 n ALA 35 N -3.00 -1.52 -0.84 0.55 0.00 -1.26 -4.51 120.51 109.93 1f22 n ALA 35 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1f22 n ALA 35 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 -4.46 -2.39 0.00 0.00 5.02 -1.26 -5.09 118.16 109.98 1f22 n LYS 36 Ca -0.06 1.77 0.00 0.00 -2.02 0.00 0.00 58.31 58.00 1f22 n LYS 36 Cb 0.56 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1f22 n ILE 37 N -0.76 0.00 0.00 -0.18 5.41 -1.26 -5.10 119.36 117.47 1f22 n ILE 37 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1f22 n ILE 37 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f22 n ALA 38 N -3.00 0.00 -2.83 -1.39 0.00 -1.26 -5.08 120.51 106.95 1f22 n ALA 38 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1f22 n ALA 38 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 4.74 0.53 0.00 -1.09 -1.26 -4.72 121.20 119.40 1f22 s ILE 39 Ca 0.00 -2.38 0.01 0.00 -2.23 0.00 0.00 60.65 56.05 1f22 s ILE 39 Cb 0.00 -5.00 0.03 0.00 -1.58 0.00 0.00 42.46 35.91 1f22 s ILE 39 CO 0.00 -1.75 0.76 -1.81 -1.23 0.00 0.00 174.94 170.91 1f22 s ASP 40 N 3.29 5.38 0.32 3.58 1.01 -1.26 -4.68 116.67 124.32 1f22 s ASP 40 Ca 0.46 0.06 0.07 0.00 0.71 0.00 0.00 52.55 53.85 1f22 s ASP 40 Cb -0.01 -1.02 0.92 0.00 1.01 0.00 0.00 42.92 43.83 1f22 s ASP 40 CO 0.02 -1.06 1.58 0.07 0.21 0.00 0.00 175.17 175.99 1f22 h LYS 41 N 0.13 0.02 0.51 8.23 2.10 -1.98 0.29 116.57 125.87 1f22 h LYS 41 Ca -0.43 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.20 1f22 h LYS 41 Cb 1.29 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1f22 h LYS 41 CO 0.53 0.02 -0.29 0.87 -2.00 0.00 0.00 179.45 178.58 1f22 h LYS 42 N 0.02 -0.72 0.43 0.07 1.57 -1.95 -3.19 116.57 112.81 1f22 h LYS 42 Ca 0.67 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.49 1f22 h LYS 42 Cb 1.52 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.97 1f22 h LYS 42 CO -0.86 -0.48 -0.45 0.77 -0.57 0.00 0.00 179.45 177.86 1f22 h SER 43 N -0.74 -1.25 -0.51 0.86 0.02 -1.45 -3.07 113.55 107.41 1f22 h SER 43 Ca -0.07 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1f22 h SER 43 Cb 0.59 0.42 -0.10 0.00 0.14 0.00 0.00 62.40 63.44 1f22 h SER 43 CO 0.09 -0.59 -0.40 0.00 -1.14 0.00 0.00 176.83 174.79 1f22 h ALA 44 N -0.98 -0.27 0.00 3.77 0.00 -0.60 0.84 119.26 122.02 1f22 h ALA 44 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1f22 h ALA 44 Cb 0.77 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1f22 h ALA 44 CO -0.07 -0.79 -0.47 0.45 0.00 0.00 0.00 179.25 178.38 1f22 h HIS 45 N -0.24 0.00 0.00 0.00 3.86 -1.68 -0.02 115.15 117.08 1f22 h HIS 45 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1f22 h HIS 45 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1f22 h HIS 45 CO -0.65 0.21 -0.06 -0.22 0.86 0.00 0.00 177.93 178.07 1f22 h LYS 46 N 0.00 0.00 -1.18 2.45 3.11 -1.11 -3.43 116.57 116.41 1f22 h LYS 46 Ca -0.02 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.51 1f22 h LYS 46 Cb 1.18 0.00 -0.23 0.00 -1.00 0.00 0.00 32.23 32.18 1f22 h LYS 46 CO 0.02 0.00 -0.67 -0.25 -2.81 0.00 0.00 179.45 175.74 1f22 n ASP 47 N -2.65 -2.24 0.00 4.20 8.00 0.17 -4.57 116.55 119.45 1f22 n ASP 47 Ca -0.01 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1f22 n ASP 47 Cb 0.03 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 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 2.42 0.26 0.30 2.24 0.00 -0.90 -4.78 120.51 120.05 1f22 n ALA 48 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1f22 n ALA 48 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.85 0.00 -0.00 0.00 3.64 -1.29 0.16 116.57 118.23 1f22 h LYS 50 Ca -0.08 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 1f22 h LYS 50 Cb 0.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1f22 h LYS 50 CO 0.07 0.03 -0.81 1.15 -2.27 0.00 0.00 179.45 177.62 1f22 h THR 51 N 0.00 1.54 0.22 1.00 2.02 -1.76 -1.80 112.91 114.13 1f22 h THR 51 Ca -0.00 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.52 1f22 h THR 51 Cb 0.44 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1f22 h THR 51 CO 0.00 0.76 -0.11 0.00 0.37 0.00 0.00 175.52 176.55 1f22 n HIS 53 N -5.03 0.27 0.00 0.00 -0.00 0.47 -4.50 115.22 106.44 1f22 n HIS 53 Ca -0.09 -1.49 0.00 0.00 -0.00 0.00 0.00 57.72 56.14 1f22 n HIS 53 Cb 0.26 -1.55 0.00 0.00 -0.00 0.00 0.00 29.99 28.70 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1f22 n LYS 54 N 2.72 0.00 -0.03 -0.41 4.76 -0.70 -4.67 118.16 119.83 1f22 n LYS 54 Ca 0.41 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.71 1f22 n LYS 54 Cb 0.72 -0.03 -0.11 0.00 -1.84 0.00 0.00 35.03 33.77 1f22 n LYS 54 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1f22 h SER 55 N 0.00 0.17 0.00 4.39 0.87 -1.91 -3.37 113.55 113.70 1f22 h SER 55 Ca 0.00 -0.78 -0.54 0.00 -1.23 0.00 0.00 61.79 59.24 1f22 h SER 55 Cb 0.00 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1f22 h SER 55 CO 0.00 0.92 3.08 -0.46 -0.53 0.00 0.00 176.83 179.84 1f22 n ASN 56 N -4.56 5.94 0.13 6.23 6.94 -1.26 -3.43 115.26 125.25 1f22 n ASN 56 Ca -0.10 -2.50 0.00 0.00 -0.02 0.00 0.00 54.58 51.97 1f22 n ASN 56 Cb 0.47 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 1f22 n ASN 56 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1f22 n ASN 57 N 4.51 -0.10 0.00 0.53 5.15 -1.26 -4.60 115.26 119.50 1f22 n ASN 57 Ca 0.58 0.45 0.00 0.00 -0.60 0.00 0.00 54.58 55.01 1f22 n ASN 57 Cb 0.22 0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f22 n GLY 58 N 1.63 1.88 0.45 8.20 0.00 -1.22 -5.04 105.19 111.10 1f22 n GLY 58 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1f22 n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f22 n PRO 59 N 0.00 -0.60 0.08 1.61 -0.04 -1.26 -5.02 135.00 129.78 1f22 n PRO 59 Ca 0.00 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1f22 n PRO 59 Cb 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1f22 n PRO 59 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1f22 n THR 60 N -2.45 0.00 -1.28 0.52 5.66 -1.26 -4.95 114.28 110.52 1f22 n THR 60 Ca 0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.64 1f22 n THR 60 Cb 0.07 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.82 1f22 n THR 60 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1f22 n LYS 61 N -2.94 2.36 0.00 1.09 -0.00 -1.26 -4.87 118.16 112.54 1f22 n LYS 61 Ca 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 58.31 56.25 1f22 n LYS 61 Cb 0.00 -2.93 0.00 0.00 -0.00 0.00 0.00 35.03 32.10 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f22 n GLY 63 N 0.00 1.65 0.27 0.00 0.00 -1.26 -4.74 105.19 101.11 1f22 n GLY 63 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -1.04 0.00 -0.02 0.00 -1.26 -3.39 105.19 99.48 1f22 n GLY 64 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1f22 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 s HIS 66 N -1.99 2.78 -0.95 0.00 4.02 -1.22 -3.74 115.29 114.19 1f22 s HIS 66 Ca 0.00 -0.48 -0.06 0.00 1.02 0.00 0.00 55.06 55.54 1f22 s HIS 66 Cb 0.00 -4.12 -0.03 0.00 -1.02 0.00 0.00 32.58 27.41 1f22 s HIS 66 CO 0.00 -1.47 2.89 -0.89 1.02 0.00 0.00 174.74 176.30 1f22 n ILE 67 N 5.90 4.12 -0.60 0.60 2.08 -1.26 -4.48 119.36 125.73 1f22 n ILE 67 Ca -0.04 -2.96 0.00 0.00 0.56 0.00 0.00 62.75 60.31 1f22 n ILE 67 Cb 0.45 -2.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.23 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40