#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 0.00 -3.64 0.00 5.68 -1.26 -3.65 116.55 113.68 1f22 n ASP 2 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 1f22 n ASP 2 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1f22 s VAL 3 N -0.47 -0.02 0.21 2.12 0.11 -1.26 -0.44 120.40 120.65 1f22 s VAL 3 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1f22 s VAL 3 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1f22 s VAL 3 CO 0.00 0.00 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.07 1f22 s VAL 4 N 1.66 0.99 -0.00 2.04 1.01 -1.06 -4.91 120.40 120.12 1f22 s VAL 4 Ca -0.10 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 59.89 1f22 s VAL 4 Cb -0.05 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1f22 s VAL 4 CO -0.20 -0.39 -0.12 0.28 0.00 0.00 0.00 175.10 174.68 1f22 s THR 5 N -3.45 0.93 -0.74 3.92 -1.32 -1.26 -1.03 115.64 112.68 1f22 s THR 5 Ca 0.27 -0.57 -0.27 0.00 -1.21 0.00 0.00 61.69 59.91 1f22 s THR 5 Cb 0.05 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.27 1f22 s THR 5 CO 0.07 0.21 1.42 -0.31 -2.21 0.00 0.00 174.62 173.80 1f22 s TYR 6 N -0.37 2.17 -1.25 9.09 2.02 -0.71 -4.91 117.35 123.39 1f22 s TYR 6 Ca 0.04 0.06 -0.20 0.00 -0.37 0.00 0.00 57.07 56.60 1f22 s TYR 6 Cb -0.05 -4.52 0.00 0.00 -0.40 0.00 0.00 41.96 36.99 1f22 s TYR 6 CO -0.00 -2.10 1.83 0.39 -1.57 0.00 0.00 175.55 174.09 1f22 n GLU 7 N 9.29 2.55 -1.14 -0.62 1.02 -1.26 -1.03 120.64 129.45 1f22 n GLU 7 Ca 0.10 -2.93 -0.17 0.00 -0.02 0.00 0.00 57.16 54.13 1f22 n GLU 7 Cb 0.50 -3.57 0.12 0.00 -0.02 0.00 0.00 31.44 28.46 1f22 n GLU 7 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1f22 n ASN 8 N 10.62 0.08 0.01 1.62 0.23 -1.26 -4.89 115.26 121.68 1f22 n ASN 8 Ca 0.48 -1.30 -0.03 0.00 -0.53 0.00 0.00 54.58 53.20 1f22 n ASN 8 Cb 0.46 -0.59 -0.11 0.00 -2.08 0.00 0.00 39.78 37.46 1f22 n ASN 8 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1f22 n LYS 9 N -2.64 0.63 0.00 -3.83 4.81 -1.26 -3.89 118.16 111.97 1f22 n LYS 9 Ca 0.10 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1f22 n LYS 9 Cb 0.34 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1f22 n LYS 9 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1f22 n LYS 10 N -2.94 0.00 0.00 1.64 4.76 -1.26 -4.82 118.16 115.54 1f22 n LYS 10 Ca -0.13 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1f22 n LYS 10 Cb 0.92 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 -0.99 0.00 1.96 0.72 0.00 -1.26 -4.72 105.19 100.89 1f22 n GLY 11 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.40 -4.58 1.61 5.03 -1.25 -3.68 115.26 106.99 1f22 n ASN 12 Ca 0.00 1.13 -0.42 0.00 0.87 0.00 0.00 54.58 56.15 1f22 n ASN 12 Cb 0.00 -3.74 -0.02 0.00 -1.02 0.00 0.00 39.78 34.99 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 -0.40 4.03 0.24 2.41 1.01 -0.19 -3.92 120.40 123.58 1f22 s VAL 13 Ca -0.05 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 1f22 s VAL 13 Cb 0.00 -4.72 -0.10 0.00 0.00 0.00 0.00 36.38 31.56 1f22 s VAL 13 CO 0.13 -1.34 1.40 0.28 0.00 0.00 0.00 175.10 175.57 1f22 s THR 14 N 4.92 2.79 -0.20 3.92 -1.32 -1.25 -1.73 115.64 122.76 1f22 s THR 14 Ca 0.42 0.67 -0.03 0.00 -1.21 0.00 0.00 61.69 61.54 1f22 s THR 14 Cb -0.08 -3.43 0.06 0.00 -1.51 0.00 0.00 72.50 67.55 1f22 s THR 14 CO 0.25 0.11 0.04 0.72 -2.21 0.00 0.00 174.62 173.53 1f22 s PHE 15 N -0.04 1.02 -1.11 9.09 -0.71 -0.20 -4.96 117.98 121.07 1f22 s PHE 15 Ca 0.58 -0.90 -0.26 0.00 -1.04 0.00 0.00 56.93 55.32 1f22 s PHE 15 Cb -0.40 -1.06 -0.19 0.00 -1.21 0.00 0.00 43.02 40.16 1f22 s PHE 15 CO 0.43 -0.63 2.07 -0.51 -1.34 0.00 0.00 175.22 175.24 1f22 s ASP 16 N 1.86 3.85 0.14 1.98 1.11 -1.26 -2.57 116.67 121.78 1f22 s ASP 16 Ca 0.00 -1.14 -0.31 0.00 0.18 0.00 0.00 52.55 51.29 1f22 s ASP 16 Cb -0.17 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.16 1f22 s ASP 16 CO -0.10 -4.32 1.55 -0.74 1.18 0.00 0.00 175.17 172.74 1f22 h HIS 17 N 11.14 -1.59 -0.02 4.23 2.76 -1.83 -1.09 115.15 128.75 1f22 h HIS 17 Ca 0.07 0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1f22 h HIS 17 Cb 0.98 0.76 -0.00 0.00 1.55 0.00 0.00 27.41 30.70 1f22 h HIS 17 CO 1.07 -0.47 0.00 -0.22 -1.30 0.00 0.00 177.93 177.01 1f22 h LYS 18 N -0.34 0.04 -0.60 5.26 3.64 -0.82 -0.07 116.57 123.67 1f22 h LYS 18 Ca 0.10 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1f22 h LYS 18 Cb 0.58 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.28 1f22 h LYS 18 CO -0.63 0.32 -0.38 0.00 -2.27 0.00 0.00 179.45 176.49 1f22 h ALA 19 N 0.72 -0.15 -0.99 5.00 0.00 -1.72 0.42 119.26 122.55 1f22 h ALA 19 Ca 0.01 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1f22 h ALA 19 Cb 0.30 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1f22 h ALA 19 CO 0.00 -0.74 0.65 0.45 0.00 0.00 0.00 179.25 179.62 1f22 h HIS 20 N -0.18 1.22 -0.25 0.00 3.86 -1.04 -0.68 115.15 118.08 1f22 h HIS 20 Ca 0.22 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.51 1f22 h HIS 20 Cb 0.56 -0.41 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 1f22 h HIS 20 CO -0.68 0.74 -0.08 0.00 0.86 0.00 0.00 177.93 178.77 1f22 h ALA 21 N 1.38 0.14 0.03 2.45 0.00 0.16 -0.65 119.26 122.77 1f22 h ALA 21 Ca 0.38 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1f22 h ALA 21 Cb -0.07 0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1f22 h ALA 21 CO -0.10 -0.49 -0.01 1.05 0.00 0.00 0.00 179.25 179.69 1f22 h GLU 22 N -0.03 -0.04 -0.15 0.00 4.11 -0.28 0.41 114.58 118.59 1f22 h GLU 22 Ca 0.13 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.58 1f22 h GLU 22 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1f22 h GLU 22 CO -0.28 0.39 0.03 0.87 0.07 0.00 0.00 179.01 180.10 1f22 h LYS 23 N -0.48 0.09 0.00 1.06 6.56 -0.96 -3.27 116.57 119.57 1f22 h LYS 23 Ca -0.00 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 1f22 h LYS 23 Cb 0.45 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1f22 h LYS 23 CO 0.01 0.06 -0.47 -0.07 -2.06 0.00 0.00 179.45 176.91 1f22 h LEU 24 N 0.09 0.00 0.00 2.94 -0.00 -1.22 -3.50 115.31 113.62 1f22 h LEU 24 Ca 0.06 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 1f22 h LEU 24 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1f22 h LEU 24 CO -0.09 1.13 0.00 0.61 -0.00 0.00 0.00 178.44 180.10 1f22 n GLY 25 N 1.56 1.16 4.96 0.83 0.00 0.14 -4.85 105.19 108.99 1f22 n GLY 25 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.54 -0.01 -0.02 0.00 5.75 -1.25 -0.82 116.55 122.74 1f22 n ASP 27 Ca 0.00 1.24 -0.00 0.00 -0.01 0.00 0.00 54.79 56.01 1f22 n ASP 27 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 -3.12 -0.01 0.00 2.12 0.00 -1.26 -2.94 120.51 115.30 1f22 n ALA 28 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1f22 n ALA 28 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.63 3.70 0.00 0.00 3.76 -0.00 -5.00 115.29 116.11 1f22 s HIS 30 Ca 0.00 -3.19 0.00 0.00 -0.15 0.00 0.00 55.06 51.72 1f22 s HIS 30 Cb 0.00 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.74 1f22 s HIS 30 CO 0.00 -0.64 0.53 0.39 -0.85 0.00 0.00 174.74 174.17 1f22 n GLU 31 N 2.20 0.00 0.04 1.40 -0.58 -1.22 -3.77 120.64 118.72 1f22 n GLU 31 Ca 0.20 0.30 -0.20 0.00 -0.42 0.00 0.00 57.16 57.03 1f22 n GLU 31 Cb 0.36 -1.03 -0.15 0.00 -0.57 0.00 0.00 31.44 30.05 1f22 n GLU 31 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1f22 h GLY 32 N 0.00 0.34 -3.99 0.62 0.00 -1.94 -3.43 103.07 94.66 1f22 h GLY 32 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 47.33 46.48 1f22 h GLY 32 CO 0.00 0.76 0.35 -1.08 0.00 0.00 0.00 176.54 176.57 1f22 s THR 33 N -2.44 0.00 0.65 4.70 -1.32 -1.26 -5.15 115.64 110.82 1f22 s THR 33 Ca -0.15 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.18 1f22 s THR 33 Cb 0.02 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1f22 s THR 33 CO 0.82 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 172.19 1f22 s PRO 34 N -1.62 2.83 -0.26 7.08 0.04 -1.26 -4.83 135.00 136.98 1f22 s PRO 34 Ca -0.05 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1f22 s PRO 34 Cb -0.00 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1f22 s PRO 34 CO 0.03 -1.24 1.02 0.00 0.04 0.00 0.00 177.00 176.85 1f22 n ALA 35 N -2.29 -1.23 -1.47 8.56 0.00 -1.26 -5.12 120.51 117.69 1f22 n ALA 35 Ca 0.11 -0.51 0.18 0.00 0.00 0.00 0.00 53.44 53.21 1f22 n ALA 35 Cb 0.52 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.52 -3.41 0.00 0.00 5.02 -1.26 -4.97 118.16 113.01 1f22 n LYS 36 Ca -0.17 2.79 0.00 0.00 -2.02 0.00 0.00 58.31 58.91 1f22 n LYS 36 Cb 0.67 -3.98 0.00 0.00 -0.02 0.00 0.00 35.03 31.69 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 -4.39 0.00 0.00 -0.18 5.41 -1.26 -5.07 119.36 113.87 1f22 n ILE 37 Ca -0.10 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1f22 n ILE 37 Cb 0.70 1.37 0.00 0.00 -0.71 0.00 0.00 39.64 41.00 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 -0.14 0.00 -1.88 -1.39 0.00 -1.26 -4.86 120.51 110.98 1f22 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f22 n ALA 38 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1f22 n ALA 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f22 n ILE 39 N 0.00 -5.36 -4.15 0.00 2.08 -1.26 -5.08 119.36 105.58 1f22 n ILE 39 Ca 0.00 2.48 -0.11 0.00 0.56 0.00 0.00 62.75 65.68 1f22 n ILE 39 Cb 0.00 -3.23 -0.09 0.00 -0.75 0.00 0.00 39.64 35.57 1f22 n ILE 39 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1f22 s ASP 40 N -2.15 0.10 0.16 4.38 1.11 -0.39 -4.98 116.67 114.90 1f22 s ASP 40 Ca 0.00 -1.28 -0.22 0.00 0.18 0.00 0.00 52.55 51.23 1f22 s ASP 40 Cb 0.00 0.42 0.06 0.00 1.07 0.00 0.00 42.92 44.47 1f22 s ASP 40 CO 0.00 -0.90 1.61 0.50 1.18 0.00 0.00 175.17 177.57 1f22 h LYS 41 N 2.55 -0.22 0.48 8.23 3.11 -1.99 -1.14 116.57 127.59 1f22 h LYS 41 Ca -0.34 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.49 1f22 h LYS 41 Cb 1.25 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1f22 h LYS 41 CO 0.50 -0.15 -0.23 0.87 -2.81 0.00 0.00 179.45 177.62 1f22 h LYS 42 N -0.23 -0.63 -3.26 1.90 1.57 -1.97 -1.03 116.57 112.93 1f22 h LYS 42 Ca 0.17 0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.34 1f22 h LYS 42 Cb 0.50 0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.97 1f22 h LYS 42 CO -0.48 -0.34 3.58 0.43 -0.57 0.00 0.00 179.45 182.06 1f22 n SER 43 N -5.30 7.38 0.01 0.86 7.64 -0.50 -0.58 113.62 123.12 1f22 n SER 43 Ca -0.11 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1f22 n SER 43 Cb 0.30 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f22 n ALA 44 N 4.18 0.00 0.26 -0.43 0.00 -0.77 -1.27 120.51 122.49 1f22 n ALA 44 Ca 0.70 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.29 1f22 n ALA 44 Cb 0.25 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.31 1f22 n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f22 h HIS 45 N 0.00 0.00 -2.48 0.00 -0.00 -0.09 -0.21 115.15 112.37 1f22 h HIS 45 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 1f22 h HIS 45 Cb 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 27.41 27.16 1f22 h HIS 45 CO 0.00 0.06 -0.21 0.21 -0.00 0.00 0.00 177.93 178.00 1f22 s LYS 46 N -3.65 0.49 -0.43 2.45 2.47 0.25 -4.57 119.74 116.74 1f22 s LYS 46 Ca 0.01 0.88 -0.02 0.00 -1.56 0.00 0.00 55.97 55.29 1f22 s LYS 46 Cb 0.09 0.05 0.00 0.00 -1.46 0.00 0.00 37.83 36.51 1f22 s LYS 46 CO 0.57 -0.15 0.37 -0.25 0.16 0.00 0.00 175.35 176.06 1f22 n ASP 47 N 4.13 -2.87 0.00 1.43 8.00 -1.26 -4.13 116.55 121.85 1f22 n ASP 47 Ca -0.22 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1f22 n ASP 47 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 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 -2.81 0.00 0.26 2.24 0.00 -1.26 -4.73 120.51 114.21 1f22 n ALA 48 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1f22 n ALA 48 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.98 0.49 -0.31 0.00 1.57 -1.29 0.49 116.57 116.54 1f22 h LYS 50 Ca -0.07 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1f22 h LYS 50 Cb 0.53 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1f22 h LYS 50 CO 0.12 0.42 0.02 1.15 -0.57 0.00 0.00 179.45 180.58 1f22 h THR 51 N 0.49 0.80 0.41 -0.16 2.02 -1.77 0.13 112.91 114.82 1f22 h THR 51 Ca 0.12 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1f22 h THR 51 Cb 0.12 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1f22 h THR 51 CO -0.01 0.02 -0.20 0.00 0.37 0.00 0.00 175.52 175.70 1f22 h HIS 53 N -0.91 0.60 -0.96 0.00 -0.00 -0.63 0.22 115.15 113.47 1f22 h HIS 53 Ca -0.06 0.01 0.20 0.00 -0.00 0.00 0.00 60.37 60.53 1f22 h HIS 53 Cb 0.56 -0.20 -0.08 0.00 -0.00 0.00 0.00 27.41 27.68 1f22 h HIS 53 CO 0.02 0.38 0.61 0.87 -0.00 0.00 0.00 177.93 179.81 1f22 h LYS 54 N 0.65 0.55 -0.82 2.45 1.57 -0.87 0.25 116.57 120.36 1f22 h LYS 54 Ca 0.18 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1f22 h LYS 54 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1f22 h LYS 54 CO -0.04 0.37 0.03 0.45 -0.57 0.00 0.00 179.45 179.69 1f22 n SER 55 N -4.62 3.26 -4.19 0.86 2.88 0.76 -4.87 113.62 107.70 1f22 n SER 55 Ca 0.21 -2.47 -0.14 0.00 -1.33 0.00 0.00 58.87 55.14 1f22 n SER 55 Cb 0.65 -0.60 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 1f22 n SER 55 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1f22 s ASN 56 N -0.34 0.57 -0.52 -3.46 0.01 0.08 -5.09 114.94 106.19 1f22 s ASN 56 Ca 0.26 -1.41 -0.28 0.00 -0.71 0.00 0.00 52.86 50.72 1f22 s ASN 56 Cb 0.20 0.33 0.01 0.00 0.41 0.00 0.00 41.25 42.20 1f22 s ASN 56 CO 0.07 -0.82 1.44 0.20 -1.51 0.00 0.00 177.10 176.48 1f22 s ASN 57 N -3.22 6.15 0.09 -1.22 0.01 -1.26 -4.91 114.94 110.58 1f22 s ASN 57 Ca 0.39 0.46 -0.17 0.00 -0.71 0.00 0.00 52.86 52.83 1f22 s ASN 57 Cb 0.07 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.24 1f22 s ASN 57 CO 0.13 -1.66 0.78 0.61 -1.51 0.00 0.00 177.10 175.45 1f22 n GLY 58 N 5.23 0.68 3.90 0.66 0.00 -1.26 -5.10 105.19 109.29 1f22 n GLY 58 Ca 0.14 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1f22 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f22 s PRO 59 N -2.03 1.77 0.00 1.61 0.04 -1.26 -4.97 135.00 130.17 1f22 s PRO 59 Ca 0.18 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1f22 s PRO 59 Cb -0.02 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1f22 s PRO 59 CO 0.03 -1.72 0.00 -2.37 0.04 0.00 0.00 177.00 172.98 1f22 n THR 60 N -3.39 0.00 0.00 1.26 5.66 -1.26 -4.68 114.28 111.87 1f22 n THR 60 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1f22 n THR 60 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1f22 n LYS 61 N -2.42 0.00 -0.96 1.09 4.76 -1.26 -5.11 118.16 114.26 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1f22 n LYS 61 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 5.00 1.63 0.20 0.00 0.00 -1.26 -4.76 105.19 105.99 1f22 n GLY 63 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.85 1.07 -0.02 0.00 -1.26 -3.66 105.19 100.47 1f22 n GLY 64 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 2.52 -1.20 0.00 3.76 -1.24 -3.83 115.29 113.30 1f22 s HIS 66 Ca 0.00 0.74 -0.20 0.00 -0.15 0.00 0.00 55.06 55.45 1f22 s HIS 66 Cb 0.00 -4.19 -0.03 0.00 1.11 0.00 0.00 32.58 29.47 1f22 s HIS 66 CO 0.00 -1.85 1.90 -0.89 -0.85 0.00 0.00 174.74 173.05 1f22 n ILE 67 N 6.78 2.83 -1.99 0.60 2.08 -1.24 -4.26 119.36 124.15 1f22 n ILE 67 Ca 0.16 -2.82 0.00 0.00 0.56 0.00 0.00 62.75 60.65 1f22 n ILE 67 Cb 0.48 -2.31 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28