#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 s ASP 2 N 0.00 5.44 0.00 0.00 -4.77 -1.26 -4.33 116.67 111.75 1f22 s ASP 2 Ca 0.00 -1.82 0.00 0.00 -3.30 0.00 0.00 52.55 47.43 1f22 s ASP 2 Cb 0.00 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1f22 s ASP 2 CO 0.00 -2.64 0.00 0.52 0.70 0.00 0.00 175.17 173.75 1f22 n VAL 3 N 7.49 -0.11 -4.33 2.11 0.31 -1.26 -4.87 118.33 117.67 1f22 n VAL 3 Ca 0.45 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.62 1f22 n VAL 3 Cb 0.46 -0.08 -0.10 0.00 -0.91 0.00 0.00 33.84 33.21 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 -0.38 0.85 0.04 2.52 1.01 -0.44 -4.97 120.40 119.02 1f22 s VAL 4 Ca 0.00 -2.01 0.06 0.00 0.00 0.00 0.00 61.98 60.03 1f22 s VAL 4 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1f22 s VAL 4 CO 0.00 -0.20 -0.18 0.28 0.00 0.00 0.00 175.10 175.00 1f22 s THR 5 N -3.55 1.45 0.09 3.92 -1.32 -1.26 -0.62 115.64 114.36 1f22 s THR 5 Ca 0.32 -1.09 0.23 0.00 -1.21 0.00 0.00 61.69 59.94 1f22 s THR 5 Cb 0.07 -1.27 0.22 0.00 -1.51 0.00 0.00 72.50 70.01 1f22 s THR 5 CO 0.11 0.16 1.78 1.88 -2.21 0.00 0.00 174.62 176.34 1f22 h TYR 6 N 4.97 0.00 -3.33 9.09 0.05 -1.78 -3.48 116.97 122.49 1f22 h TYR 6 Ca -0.40 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.08 1f22 h TYR 6 Cb 1.17 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 1f22 h TYR 6 CO 0.50 0.24 -0.37 -1.91 -1.05 0.00 0.00 178.16 175.57 1f22 n GLU 7 N -3.37 -1.98 -1.67 4.88 2.13 -1.26 -4.93 120.64 114.44 1f22 n GLU 7 Ca 0.00 0.74 -0.37 0.00 0.66 0.00 0.00 57.16 58.19 1f22 n GLU 7 Cb 0.46 -5.32 0.06 0.00 0.27 0.00 0.00 31.44 26.91 1f22 n GLU 7 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1f22 n ASN 8 N -1.74 1.38 0.08 4.31 0.23 -1.26 -4.70 115.26 113.56 1f22 n ASN 8 Ca -0.17 0.81 -0.11 0.00 -0.53 0.00 0.00 54.58 54.58 1f22 n ASN 8 Cb 0.62 -1.47 -0.03 0.00 -2.08 0.00 0.00 39.78 36.82 1f22 n ASN 8 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1f22 h LYS 9 N 0.49 0.30 -0.76 -3.83 1.57 -2.01 -2.29 116.57 110.04 1f22 h LYS 9 Ca -0.50 -0.33 0.17 0.00 -1.87 0.00 0.00 60.65 58.13 1f22 h LYS 9 Cb 1.35 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.63 1f22 h LYS 9 CO 0.52 1.03 0.06 -0.22 -0.57 0.00 0.00 179.45 180.28 1f22 h LYS 10 N 0.17 0.14 0.00 3.15 1.63 -2.02 -3.44 116.57 116.20 1f22 h LYS 10 Ca -0.06 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1f22 h LYS 10 Cb 1.55 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1f22 h LYS 10 CO 0.15 0.09 0.00 0.41 -3.45 0.00 0.00 179.45 176.65 1f22 n GLY 11 N -1.40 0.81 3.32 5.01 0.00 -0.96 -4.98 105.19 106.99 1f22 n GLY 11 Ca 0.14 0.58 -0.56 0.00 0.00 0.00 0.00 46.02 46.19 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 0.83 -4.59 1.61 5.03 -0.90 -4.44 115.26 112.80 1f22 n ASN 12 Ca 0.00 0.55 -0.43 0.00 0.87 0.00 0.00 54.58 55.57 1f22 n ASN 12 Cb 0.00 -0.95 -0.02 0.00 -1.02 0.00 0.00 39.78 37.79 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 6.72 4.20 -0.11 2.41 1.01 -1.26 -3.21 120.40 130.16 1f22 s VAL 13 Ca 1.21 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 64.01 1f22 s VAL 13 Cb -1.38 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 30.36 1f22 s VAL 13 CO 0.61 -1.07 0.76 0.28 0.00 0.00 0.00 175.10 175.68 1f22 s THR 14 N 4.47 4.97 -0.09 3.92 -1.32 -1.24 -2.01 115.64 124.34 1f22 s THR 14 Ca 0.45 1.54 0.02 0.00 -1.21 0.00 0.00 61.69 62.48 1f22 s THR 14 Cb -0.08 -4.09 0.02 0.00 -1.51 0.00 0.00 72.50 66.84 1f22 s THR 14 CO 0.29 0.15 -0.13 0.72 -2.21 0.00 0.00 174.62 173.44 1f22 s PHE 15 N 1.42 1.67 0.91 9.09 -0.71 0.21 -4.90 117.98 125.68 1f22 s PHE 15 Ca 0.38 -0.72 -0.14 0.00 -1.04 0.00 0.00 56.93 55.41 1f22 s PHE 15 Cb -0.17 -1.24 -0.02 0.00 -1.21 0.00 0.00 43.02 40.38 1f22 s PHE 15 CO 0.16 -0.39 0.13 -0.25 -1.34 0.00 0.00 175.22 173.52 1f22 n ASP 16 N 4.14 -2.92 0.00 1.98 9.92 -1.26 -1.33 116.55 127.07 1f22 n ASP 16 Ca -0.20 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1f22 n ASP 16 Cb 0.51 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1f22 n HIS 17 N -3.09 -1.01 0.03 1.24 -0.00 -1.26 -4.78 115.22 106.34 1f22 n HIS 17 Ca 0.05 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.13 1f22 n HIS 17 Cb 0.53 0.36 -0.04 0.00 -0.12 0.00 0.00 29.99 30.73 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 0.00 -0.35 -0.50 1.57 3.64 -1.90 0.23 116.57 119.26 1f22 h LYS 18 Ca 0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1f22 h LYS 18 Cb 0.00 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 1f22 h LYS 18 CO 0.00 -0.23 -0.45 0.00 -2.27 0.00 0.00 179.45 176.50 1f22 h ALA 19 N 0.51 -0.42 -0.95 5.00 0.00 -1.96 0.26 119.26 121.69 1f22 h ALA 19 Ca 0.08 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1f22 h ALA 19 Cb 0.49 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1f22 h ALA 19 CO -0.28 -0.87 0.61 0.45 0.00 0.00 0.00 179.25 179.16 1f22 h HIS 20 N -0.28 1.12 0.13 0.00 3.86 -1.78 -0.49 115.15 117.71 1f22 h HIS 20 Ca 0.15 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1f22 h HIS 20 Cb 0.57 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1f22 h HIS 20 CO -0.68 0.57 -0.06 0.00 0.86 0.00 0.00 177.93 178.62 1f22 h ALA 21 N 1.44 -0.17 -0.20 2.45 0.00 0.24 0.59 119.26 123.62 1f22 h ALA 21 Ca 0.42 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1f22 h ALA 21 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1f22 h ALA 21 CO -0.18 -0.57 -0.63 1.05 0.00 0.00 0.00 179.25 178.92 1f22 h GLU 22 N -0.21 0.69 0.18 0.00 4.11 -0.38 0.81 114.58 119.78 1f22 h GLU 22 Ca -0.02 -0.48 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 1f22 h GLU 22 Cb 0.17 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1f22 h GLU 22 CO 0.03 1.10 -0.09 0.87 0.07 0.00 0.00 179.01 180.99 1f22 h LYS 23 N 0.51 -0.24 0.00 1.06 1.79 -1.04 -3.38 116.57 115.27 1f22 h LYS 23 Ca -0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1f22 h LYS 23 Cb 1.22 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1f22 h LYS 23 CO 0.13 -0.07 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.32 1f22 h LEU 24 N -0.37 0.00 0.00 2.94 -0.00 -0.85 -3.51 115.31 113.53 1f22 h LEU 24 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1f22 h LEU 24 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1f22 h LEU 24 CO 0.04 0.31 0.00 0.61 -0.00 0.00 0.00 178.44 179.40 1f22 n GLY 25 N 1.84 -0.98 0.00 0.83 0.00 0.28 -4.97 105.19 102.20 1f22 n GLY 25 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.09 -0.37 0.00 5.75 -1.12 -0.65 116.55 120.07 1f22 n ASP 27 Ca 0.00 0.80 0.30 0.00 -0.01 0.00 0.00 54.79 55.87 1f22 n ASP 27 Cb 0.00 -0.28 0.56 0.00 -1.03 0.00 0.00 41.12 40.37 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 h ALA 28 N 0.93 2.31 0.00 2.12 0.00 -1.93 -3.26 119.26 119.43 1f22 h ALA 28 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1f22 h ALA 28 Cb 0.51 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1f22 h ALA 28 CO -0.45 -0.93 -0.70 0.00 0.00 0.00 0.00 179.25 177.18 1f22 s HIS 30 N -1.70 1.42 -0.04 0.00 3.76 0.18 -5.05 115.29 113.86 1f22 s HIS 30 Ca 0.00 -0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 1f22 s HIS 30 Cb 0.00 -1.18 -0.00 0.00 1.11 0.00 0.00 32.58 32.51 1f22 s HIS 30 CO 0.00 -0.47 -0.02 0.93 -0.85 0.00 0.00 174.74 174.33 1f22 h GLU 31 N 8.05 0.00 0.00 1.40 5.08 -1.82 -2.96 114.58 124.33 1f22 h GLU 31 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1f22 h GLU 31 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1f22 h GLU 31 CO 0.41 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 1f22 n GLY 32 N 1.85 0.92 3.68 -3.84 0.00 -1.26 -4.84 105.19 101.70 1f22 n GLY 32 Ca -0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 1f22 n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f22 n THR 33 N 0.00 0.40 0.05 2.61 -1.04 -1.26 -4.93 114.28 110.11 1f22 n THR 33 Ca 0.00 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.05 61.92 1f22 n THR 33 Cb 0.00 -1.60 -0.01 0.00 -1.82 0.00 0.00 70.33 66.90 1f22 n THR 33 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1f22 h PRO 34 N 7.96 -0.14 -6.27 -2.82 0.13 -1.94 -3.48 132.00 125.44 1f22 h PRO 34 Ca -0.47 0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 1f22 h PRO 34 Cb 1.29 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.46 1f22 h PRO 34 CO 0.93 -0.09 -0.87 0.00 -0.23 0.00 0.00 178.00 177.74 1f22 n ALA 35 N -2.15 -2.10 -0.43 -0.56 0.00 -1.26 -4.66 120.51 109.36 1f22 n ALA 35 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1f22 n ALA 35 Cb 0.06 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1f22 n ALA 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1f22 n LYS 36 N -4.30 0.00 0.03 0.00 2.85 -1.26 -4.96 118.16 110.53 1f22 n LYS 36 Ca -0.28 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1f22 n LYS 36 Cb 0.67 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1f22 n ILE 37 N -0.39 0.00 -2.46 0.58 5.41 -1.26 -5.09 119.36 116.15 1f22 n ILE 37 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1f22 n ILE 37 Cb 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 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 -2.68 -2.58 -2.58 -1.39 0.00 -1.26 -4.93 120.51 105.10 1f22 n ALA 38 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1f22 n ALA 38 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 -2.54 3.98 0.58 0.00 -1.09 -1.26 -4.93 121.20 115.94 1f22 s ILE 39 Ca 0.08 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.53 1f22 s ILE 39 Cb -0.02 -5.06 0.02 0.00 -1.58 0.00 0.00 42.46 35.82 1f22 s ILE 39 CO 0.50 -1.93 0.85 -1.81 -1.23 0.00 0.00 174.94 171.32 1f22 s ASP 40 N 4.82 5.38 0.28 3.58 1.01 -1.26 -4.59 116.67 125.90 1f22 s ASP 40 Ca 0.46 0.41 -0.03 0.00 0.71 0.00 0.00 52.55 54.10 1f22 s ASP 40 Cb 0.00 -1.35 0.59 0.00 1.01 0.00 0.00 42.92 43.17 1f22 s ASP 40 CO -0.08 -1.14 1.58 0.07 0.21 0.00 0.00 175.17 175.82 1f22 h LYS 41 N -0.11 0.02 -0.87 8.23 2.10 -1.96 0.28 116.57 124.26 1f22 h LYS 41 Ca -0.45 -0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.30 1f22 h LYS 41 Cb 1.28 -0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.49 1f22 h LYS 41 CO 0.58 0.01 -0.46 1.63 -2.00 0.00 0.00 179.45 179.21 1f22 n LYS 42 N -5.51 -0.33 -0.07 0.07 4.01 -1.26 -0.67 118.16 114.40 1f22 n LYS 42 Ca 0.19 1.32 -0.11 0.00 -0.51 0.00 0.00 58.31 59.20 1f22 n LYS 42 Cb 0.61 -1.95 -0.07 0.00 -0.51 0.00 0.00 35.03 33.11 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1f22 h SER 43 N 0.00 0.00 -0.78 4.39 0.02 -1.02 -3.29 113.55 112.87 1f22 h SER 43 Ca 0.19 -0.47 0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1f22 h SER 43 Cb 0.40 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.81 1f22 h SER 43 CO -0.83 0.94 -0.36 0.00 -1.14 0.00 0.00 176.83 175.44 1f22 h ALA 44 N -0.53 0.04 0.00 3.77 0.00 -0.45 0.19 119.26 122.27 1f22 h ALA 44 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f22 h ALA 44 Cb 0.73 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1f22 h ALA 44 CO -0.05 -0.66 -0.42 0.45 0.00 0.00 0.00 179.25 178.58 1f22 h HIS 45 N -0.09 0.00 0.00 0.00 -0.00 -1.11 0.25 115.15 114.20 1f22 h HIS 45 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1f22 h HIS 45 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1f22 h HIS 45 CO -0.75 0.00 -0.16 -0.22 -0.00 0.00 0.00 177.93 176.80 1f22 h LYS 46 N 0.00 0.00 -0.35 2.45 3.11 -1.13 -3.44 116.57 117.22 1f22 h LYS 46 Ca 0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 1f22 h LYS 46 Cb 0.81 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 31.89 1f22 h LYS 46 CO 0.00 0.00 -0.32 -3.47 -2.81 0.00 0.00 179.45 172.85 1f22 n ASP 47 N -3.37 -2.46 0.10 4.20 2.03 0.48 -4.76 116.55 112.77 1f22 n ASP 47 Ca -0.02 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1f22 n ASP 47 Cb 0.08 1.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f22 n ALA 48 N 2.22 0.32 -0.09 -1.67 0.00 -1.12 -4.80 120.51 115.37 1f22 n ALA 48 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1f22 n ALA 48 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 1f22 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 n LYS 50 N -4.53 2.95 0.08 0.00 4.81 0.03 -3.49 118.16 118.02 1f22 n LYS 50 Ca -0.18 -1.77 0.00 0.00 -0.87 0.00 0.00 58.31 55.49 1f22 n LYS 50 Cb 0.45 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1f22 n THR 51 N 2.84 0.00 -0.02 3.15 5.66 -1.26 -4.66 114.28 119.99 1f22 n THR 51 Ca 0.61 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.51 1f22 n THR 51 Cb 0.55 -0.32 -0.04 0.00 -1.55 0.00 0.00 70.33 68.97 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 n HIS 53 N -5.15 0.00 -0.08 0.00 8.25 -1.26 -3.79 115.22 113.20 1f22 n HIS 53 Ca -0.04 -1.18 -0.12 0.00 -0.26 0.00 0.00 57.72 56.13 1f22 n HIS 53 Cb 0.09 -1.23 -0.04 0.00 1.12 0.00 0.00 29.99 29.93 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1f22 n LYS 54 N 2.39 0.45 0.03 -0.41 5.02 -1.20 -4.68 118.16 119.77 1f22 n LYS 54 Ca 0.29 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1f22 n LYS 54 Cb 0.71 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 34.47 1f22 n LYS 54 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1f22 h SER 55 N -0.82 0.56 -4.04 4.39 0.02 -1.85 -3.45 113.55 108.36 1f22 h SER 55 Ca -0.14 -0.34 -0.52 0.00 -0.84 0.00 0.00 61.79 59.95 1f22 h SER 55 Cb 0.99 -0.16 0.09 0.00 0.14 0.00 0.00 62.40 63.45 1f22 h SER 55 CO -0.09 1.07 0.50 0.20 -1.14 0.00 0.00 176.83 177.37 1f22 s ASN 56 N -6.96 5.79 -0.55 3.07 -0.87 -1.26 -4.95 114.94 109.21 1f22 s ASN 56 Ca -0.07 2.39 -0.28 0.00 -1.57 0.00 0.00 52.86 53.33 1f22 s ASN 56 Cb 0.11 -2.61 0.03 0.00 -0.02 0.00 0.00 41.25 38.76 1f22 s ASN 56 CO 0.84 -1.18 1.18 0.21 -2.57 0.00 0.00 177.10 175.58 1f22 s ASN 57 N -1.37 6.50 0.10 -1.22 3.84 -1.26 -4.92 114.94 116.61 1f22 s ASN 57 Ca 0.68 0.21 -0.25 0.00 0.21 0.00 0.00 52.86 53.71 1f22 s ASN 57 Cb -0.31 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 37.93 1f22 s ASN 57 CO 0.36 -1.42 1.12 -0.83 -2.79 0.00 0.00 177.10 173.53 1f22 s GLY 58 N 2.82 -0.10 0.51 1.21 0.00 -1.26 -5.15 107.32 105.35 1f22 s GLY 58 Ca 0.44 0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.96 1f22 s GLY 58 CO 0.27 2.10 1.19 2.56 0.00 0.00 0.00 173.10 179.23 1f22 s PRO 59 N -2.41 3.48 -0.01 2.90 0.04 -1.26 -4.97 135.00 132.76 1f22 s PRO 59 Ca 0.20 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1f22 s PRO 59 Cb -0.01 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1f22 s PRO 59 CO 0.02 -0.79 -0.01 0.25 0.04 0.00 0.00 177.00 176.51 1f22 n THR 60 N -0.89 0.05 0.00 1.26 -2.24 -1.26 -4.79 114.28 106.41 1f22 n THR 60 Ca 0.10 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1f22 n THR 60 Cb 0.48 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.47 0.00 -3.11 -0.78 5.02 -1.26 -5.07 118.16 110.49 1f22 n LYS 61 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1f22 n LYS 61 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f22 n GLY 63 N 2.32 1.72 0.33 0.00 0.00 -1.26 -4.81 105.19 103.50 1f22 n GLY 63 Ca -0.08 -0.28 0.09 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 0.00 -1.45 1.07 -0.02 0.00 -1.26 -4.04 105.19 99.49 1f22 n GLY 64 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 -2.00 2.19 -0.38 0.00 3.76 -1.26 -3.63 115.29 113.97 1f22 s HIS 66 Ca 0.00 0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 55.27 1f22 s HIS 66 Cb 0.00 -4.25 0.00 0.00 1.11 0.00 0.00 32.58 29.44 1f22 s HIS 66 CO 0.00 -2.32 1.49 0.42 -0.85 0.00 0.00 174.74 173.49 1f22 s ILE 67 N 5.93 3.82 0.00 0.60 -1.09 -1.20 -4.27 121.20 124.99 1f22 s ILE 67 Ca 0.68 0.84 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 1f22 s ILE 67 Cb -0.17 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1f22 s ILE 67 CO 0.33 -0.66 0.00 1.17 -1.23 0.00 0.00 174.94 174.55