#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 1.04 -3.94 0.00 5.75 -1.26 -4.31 116.55 113.82 1f22 n ASP 2 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 1f22 n ASP 2 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 1f22 n ASP 2 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1f22 s VAL 3 N -1.82 0.15 0.16 2.12 -7.23 -1.26 -0.31 120.40 112.21 1f22 s VAL 3 Ca 0.00 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 1f22 s VAL 3 Cb 0.00 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.69 1f22 s VAL 3 CO 0.00 -0.19 -0.00 -0.69 -0.31 0.00 0.00 175.10 173.90 1f22 s VAL 4 N -0.65 0.64 -0.03 1.32 1.01 -1.13 -4.96 120.40 116.59 1f22 s VAL 4 Ca -0.06 -1.97 0.06 0.00 0.00 0.00 0.00 61.98 60.01 1f22 s VAL 4 Cb -0.05 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1f22 s VAL 4 CO -0.00 -0.53 -0.20 0.28 0.00 0.00 0.00 175.10 174.65 1f22 s THR 5 N -3.68 1.61 -0.64 3.92 -1.32 -1.26 -0.90 115.64 113.36 1f22 s THR 5 Ca 0.22 -0.85 -0.25 0.00 -1.21 0.00 0.00 61.69 59.60 1f22 s THR 5 Cb 0.06 -1.35 0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1f22 s THR 5 CO 0.03 0.46 1.10 -0.31 -2.21 0.00 0.00 174.62 173.68 1f22 s TYR 6 N -0.28 2.57 0.22 9.09 2.02 0.22 -4.93 117.35 126.26 1f22 s TYR 6 Ca 0.03 -0.09 -0.30 0.00 -0.37 0.00 0.00 57.07 56.34 1f22 s TYR 6 Cb -0.10 -4.38 -0.09 0.00 -0.40 0.00 0.00 41.96 36.99 1f22 s TYR 6 CO 0.01 -1.70 1.30 -1.83 -1.57 0.00 0.00 175.55 171.76 1f22 s GLU 7 N 4.71 4.40 0.02 -0.62 -1.05 -1.26 -0.58 118.70 124.32 1f22 s GLU 7 Ca 0.32 2.06 -0.20 0.00 -0.15 0.00 0.00 54.97 57.00 1f22 s GLU 7 Cb -0.11 -3.18 0.04 0.00 -0.44 0.00 0.00 34.13 30.44 1f22 s GLU 7 CO 0.17 -0.23 0.44 0.54 0.95 0.00 0.00 175.26 177.13 1f22 s ASN 8 N 0.20 -0.34 0.26 0.83 2.20 -1.26 -4.94 114.94 111.89 1f22 s ASN 8 Ca 0.55 0.13 -0.04 0.00 -0.94 0.00 0.00 52.86 52.57 1f22 s ASN 8 Cb -0.37 0.43 0.36 0.00 -2.00 0.00 0.00 41.25 39.67 1f22 s ASN 8 CO 0.40 -0.63 1.89 0.50 -2.94 0.00 0.00 177.10 176.32 1f22 h LYS 9 N 3.12 1.18 -0.41 3.55 3.64 -2.03 -1.23 116.57 124.39 1f22 h LYS 9 Ca -0.30 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1f22 h LYS 9 Cb 1.19 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1f22 h LYS 9 CO 0.42 0.78 -0.24 1.17 -2.27 0.00 0.00 179.45 179.31 1f22 n LYS 10 N -4.47 -0.18 0.00 1.90 3.00 -1.26 -4.89 118.16 112.25 1f22 n LYS 10 Ca 0.14 1.18 0.00 0.00 -0.00 0.00 0.00 58.31 59.63 1f22 n LYS 10 Cb 0.13 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.41 1f22 n LYS 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f22 n GLY 11 N -1.10 -0.46 3.38 3.14 0.00 -0.47 -4.87 105.19 104.81 1f22 n GLY 11 Ca 0.01 0.62 -0.61 0.00 0.00 0.00 0.00 46.02 46.04 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 0.89 -4.53 1.61 4.13 -1.23 -4.27 115.26 111.86 1f22 n ASN 12 Ca 0.00 1.08 -0.43 0.00 1.68 0.00 0.00 54.58 56.91 1f22 n ASN 12 Cb 0.00 -0.81 -0.05 0.00 -1.54 0.00 0.00 39.78 37.38 1f22 n ASN 12 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1f22 s VAL 13 N 2.21 4.62 -0.10 2.41 1.01 0.25 -3.28 120.40 127.52 1f22 s VAL 13 Ca 0.93 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 1f22 s VAL 13 Cb -1.33 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 30.68 1f22 s VAL 13 CO 0.70 -0.81 0.99 -0.89 0.00 0.00 0.00 175.10 175.10 1f22 s THR 14 N 3.34 4.80 -0.17 3.92 2.01 -1.26 -0.61 115.64 127.69 1f22 s THR 14 Ca 0.28 2.01 0.01 0.00 0.31 0.00 0.00 61.69 64.30 1f22 s THR 14 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.10 1f22 s THR 14 CO 0.21 0.03 -0.19 0.72 -0.69 0.00 0.00 174.62 174.69 1f22 s PHE 15 N 1.90 2.62 0.02 4.92 -0.71 -0.08 -4.90 117.98 121.74 1f22 s PHE 15 Ca 0.48 -1.50 -0.33 0.00 -1.04 0.00 0.00 56.93 54.54 1f22 s PHE 15 Cb -0.18 -1.82 -0.17 0.00 -1.21 0.00 0.00 43.02 39.63 1f22 s PHE 15 CO 0.19 -0.74 0.86 -0.25 -1.34 0.00 0.00 175.22 173.94 1f22 n ASP 16 N 4.55 -0.13 0.03 1.98 9.92 -1.26 -2.85 116.55 128.79 1f22 n ASP 16 Ca -0.20 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1f22 n ASP 16 Cb 0.50 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 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 1.14 -0.05 -0.00 1.24 -0.00 -0.54 -4.61 115.22 112.40 1f22 n HIS 17 Ca 0.17 0.01 -0.08 0.00 0.46 0.00 0.00 57.72 58.28 1f22 n HIS 17 Cb 0.08 0.02 -0.05 0.00 -0.12 0.00 0.00 29.99 29.92 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 -0.29 -0.56 1.57 3.64 -0.85 0.28 116.57 120.36 1f22 h LYS 18 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1f22 h LYS 18 Cb 0.00 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1f22 h LYS 18 CO 0.00 -0.20 -0.50 0.00 -2.27 0.00 0.00 179.45 176.48 1f22 h ALA 19 N -0.86 -0.64 -0.80 5.00 0.00 -1.90 0.13 119.26 120.18 1f22 h ALA 19 Ca 0.02 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1f22 h ALA 19 Cb 0.35 1.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1f22 h ALA 19 CO -0.22 -0.92 0.52 0.45 0.00 0.00 0.00 179.25 179.08 1f22 h HIS 20 N -0.22 0.82 0.27 0.00 3.86 -1.76 0.66 115.15 118.79 1f22 h HIS 20 Ca 0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1f22 h HIS 20 Cb 0.46 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1f22 h HIS 20 CO -0.83 0.40 -0.13 0.00 0.86 0.00 0.00 177.93 178.23 1f22 h ALA 21 N 1.59 -0.36 -0.25 2.45 0.00 0.16 0.21 119.26 123.06 1f22 h ALA 21 Ca 0.36 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1f22 h ALA 21 Cb 0.39 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1f22 h ALA 21 CO -0.14 -0.68 -0.07 1.05 0.00 0.00 0.00 179.25 179.41 1f22 h GLU 22 N -0.41 0.49 -0.25 0.00 4.11 0.08 0.38 114.58 118.98 1f22 h GLU 22 Ca -0.04 -0.19 -0.08 0.00 0.07 0.00 0.00 59.36 59.12 1f22 h GLU 22 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1f22 h GLU 22 CO 0.06 0.72 -0.14 0.87 0.07 0.00 0.00 179.01 180.59 1f22 h LYS 23 N 0.23 0.54 0.00 1.06 1.79 -0.93 -3.38 116.57 115.88 1f22 h LYS 23 Ca 0.06 -0.25 -0.31 0.00 -2.18 0.00 0.00 60.65 57.97 1f22 h LYS 23 Cb 0.55 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1f22 h LYS 23 CO 0.03 0.81 -1.78 1.28 -1.08 0.00 0.00 179.45 178.70 1f22 n LEU 24 N -4.45 1.90 0.00 2.94 4.77 0.06 -5.07 117.00 117.15 1f22 n LEU 24 Ca -0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1f22 n LEU 24 Cb 0.37 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1f22 n LEU 24 CO 0.41 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1f22 n GLY 25 N 1.36 0.67 0.00 -0.72 0.00 0.13 -4.83 105.19 101.81 1f22 n GLY 25 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.03 -0.20 0.00 5.75 -1.05 -0.48 116.55 120.55 1f22 n ASP 27 Ca 0.00 0.90 0.07 0.00 -0.01 0.00 0.00 54.79 55.75 1f22 n ASP 27 Cb 0.00 -0.34 0.14 0.00 -1.03 0.00 0.00 41.12 39.89 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 -3.28 0.24 0.00 2.12 0.00 -1.26 -3.57 120.51 114.75 1f22 n ALA 28 Ca 0.14 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1f22 n ALA 28 Cb 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.38 1.66 -0.04 0.00 3.76 0.37 -5.04 115.29 114.63 1f22 s HIS 30 Ca 0.00 -0.90 -0.02 0.00 -0.15 0.00 0.00 55.06 53.99 1f22 s HIS 30 Cb 0.00 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.35 1f22 s HIS 30 CO 0.00 -0.56 0.15 0.93 -0.85 0.00 0.00 174.74 174.41 1f22 h GLU 31 N 8.14 -0.08 0.00 1.40 5.08 -1.81 -2.77 114.58 124.54 1f22 h GLU 31 Ca -0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1f22 h GLU 31 Cb 1.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1f22 h GLU 31 CO 0.43 -0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 1f22 n GLY 32 N 1.51 1.73 3.68 -3.84 0.00 -1.26 -4.80 105.19 102.21 1f22 n GLY 32 Ca -0.01 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 3.19 3.10 0.99 2.61 -1.32 -1.26 -5.00 115.64 117.95 1f22 s THR 33 Ca 0.00 0.43 -0.16 0.00 -1.21 0.00 0.00 61.69 60.75 1f22 s THR 33 Cb 0.00 -3.27 0.20 0.00 -1.51 0.00 0.00 72.50 67.92 1f22 s THR 33 CO 0.00 -0.01 1.27 -2.16 -2.21 0.00 0.00 174.62 171.50 1f22 s PRO 34 N 3.21 0.43 0.00 7.08 0.04 -1.26 -4.98 135.00 139.51 1f22 s PRO 34 Ca 0.77 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1f22 s PRO 34 Cb -0.39 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1f22 s PRO 34 CO 0.33 -2.58 0.00 0.00 0.04 0.00 0.00 177.00 174.80 1f22 n ALA 35 N -3.91 0.00 0.00 8.56 0.00 -1.26 -5.15 120.51 118.75 1f22 n ALA 35 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1f22 n ALA 35 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.42 -1.99 0.09 0.00 -0.00 -1.26 -5.12 118.16 109.46 1f22 n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1f22 n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1f22 n ILE 37 N -0.92 0.29 -1.97 0.58 5.41 -1.26 -5.10 119.36 116.39 1f22 n ILE 37 Ca 0.00 0.10 -0.02 0.00 1.00 0.00 0.00 62.75 63.82 1f22 n ILE 37 Cb 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 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 -3.28 -3.04 -2.57 -1.39 0.00 -1.26 -5.02 120.51 103.95 1f22 n ALA 38 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1f22 n ALA 38 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.36 4.49 0.48 0.00 -1.09 -1.26 -5.03 121.20 117.44 1f22 s ILE 39 Ca 0.07 0.66 0.01 0.00 -2.23 0.00 0.00 60.65 59.16 1f22 s ILE 39 Cb -0.02 -4.43 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1f22 s ILE 39 CO 0.27 -0.84 0.70 -1.81 -1.23 0.00 0.00 174.94 172.04 1f22 s ASP 40 N 2.29 5.66 0.30 3.58 1.11 -1.26 -4.79 116.67 123.56 1f22 s ASP 40 Ca 0.35 0.19 0.03 0.00 0.18 0.00 0.00 52.55 53.30 1f22 s ASP 40 Cb -0.11 -1.32 0.76 0.00 1.07 0.00 0.00 42.92 43.33 1f22 s ASP 40 CO 0.25 -0.84 1.59 0.07 1.18 0.00 0.00 175.17 177.43 1f22 h LYS 41 N 0.30 0.05 0.00 8.23 2.10 -1.97 0.14 116.57 125.42 1f22 h LYS 41 Ca -0.45 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1f22 h LYS 41 Cb 1.27 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1f22 h LYS 41 CO 0.56 0.03 0.00 1.63 -2.00 0.00 0.00 179.45 179.67 1f22 n LYS 42 N -5.41 0.00 -0.17 0.07 5.02 -1.26 -0.83 118.16 115.58 1f22 n LYS 42 Ca 0.23 0.25 -0.02 0.00 -2.02 0.00 0.00 58.31 56.75 1f22 n LYS 42 Cb 0.76 -0.84 0.05 0.00 -0.02 0.00 0.00 35.03 34.98 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1f22 h SER 43 N 0.00 -0.41 -0.56 4.39 0.02 -1.78 -1.03 113.55 114.18 1f22 h SER 43 Ca 0.00 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1f22 h SER 43 Cb 0.00 0.30 -0.10 0.00 0.14 0.00 0.00 62.40 62.74 1f22 h SER 43 CO 0.00 -0.15 -0.50 0.00 -1.14 0.00 0.00 176.83 175.04 1f22 h ALA 44 N 1.51 -0.53 0.00 3.77 0.00 -0.73 0.29 119.26 123.57 1f22 h ALA 44 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1f22 h ALA 44 Cb 0.39 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1f22 h ALA 44 CO -0.51 -0.93 0.00 0.45 0.00 0.00 0.00 179.25 178.26 1f22 h HIS 45 N -0.27 0.00 0.00 0.00 3.86 -0.63 -0.54 115.15 117.57 1f22 h HIS 45 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 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 -0.75 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.21 1f22 n LYS 46 N -2.63 0.00 0.00 2.45 0.00 -0.20 -4.66 118.16 113.12 1f22 n LYS 46 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1f22 n LYS 46 Cb 0.42 -0.50 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1f22 n ASP 47 N -2.47 0.38 0.00 3.14 5.68 0.75 -4.30 116.55 119.74 1f22 n ASP 47 Ca 0.00 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1f22 n ASP 47 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f22 n ALA 48 N -0.07 0.00 0.14 2.12 0.00 0.38 -4.57 120.51 118.51 1f22 n ALA 48 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1f22 n ALA 48 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.54 1.10 -0.75 0.00 1.63 -1.37 -0.61 116.57 116.02 1f22 h LYS 50 Ca -0.04 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1f22 h LYS 50 Cb 0.40 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1f22 h LYS 50 CO 0.06 0.72 0.30 0.00 -3.45 0.00 0.00 179.45 177.08 1f22 h THR 51 N 1.13 1.25 0.30 1.00 1.03 -1.75 -0.22 112.91 115.66 1f22 h THR 51 Ca 0.44 -0.80 -0.01 0.00 -0.01 0.00 0.00 66.41 66.02 1f22 h THR 51 Cb 0.23 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.67 1f22 h THR 51 CO -0.18 0.33 -0.15 0.00 -0.01 0.00 0.00 175.52 175.51 1f22 n HIS 53 N -5.11 0.00 0.01 0.00 -0.00 -0.26 -4.08 115.22 105.78 1f22 n HIS 53 Ca -0.09 -0.83 -0.02 0.00 -0.00 0.00 0.00 57.72 56.78 1f22 n HIS 53 Cb 0.27 -0.72 -0.01 0.00 -0.00 0.00 0.00 29.99 29.52 1f22 n HIS 53 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1f22 h LYS 54 N 2.64 -0.11 -0.66 -0.41 1.57 -1.20 -3.42 116.57 114.98 1f22 h LYS 54 Ca 0.05 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.36 1f22 h LYS 54 Cb 0.83 0.03 -0.38 0.00 0.08 0.00 0.00 32.23 32.79 1f22 h LYS 54 CO 0.11 -0.08 -0.79 0.43 -0.57 0.00 0.00 179.45 178.56 1f22 n SER 55 N -4.51 4.49 -4.78 0.86 7.64 -1.26 -5.00 113.62 111.05 1f22 n SER 55 Ca -0.01 -3.73 -0.35 0.00 1.01 0.00 0.00 58.87 55.78 1f22 n SER 55 Cb 0.05 -0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 1f22 n SER 55 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1f22 s ASN 56 N -3.56 5.76 0.61 6.43 -0.87 -1.26 -5.01 114.94 117.04 1f22 s ASN 56 Ca 0.49 0.26 0.00 0.00 -1.57 0.00 0.00 52.86 52.04 1f22 s ASN 56 Cb 0.40 -1.72 0.00 0.00 -0.02 0.00 0.00 41.25 39.91 1f22 s ASN 56 CO 0.03 0.36 0.00 0.59 -2.57 0.00 0.00 177.10 175.50 1f22 n ASN 57 N 1.80 -7.38 -4.67 -1.22 4.13 -1.26 -4.54 115.26 102.12 1f22 n ASN 57 Ca -0.17 0.89 -0.42 0.00 1.68 0.00 0.00 54.58 56.55 1f22 n ASN 57 Cb 0.54 -2.49 -0.03 0.00 -1.54 0.00 0.00 39.78 36.26 1f22 n ASN 57 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1f22 s GLY 58 N -6.59 2.08 0.50 7.41 0.00 -1.26 -5.04 107.32 104.42 1f22 s GLY 58 Ca 0.00 0.18 -0.22 0.00 0.00 0.00 0.00 44.72 44.68 1f22 s GLY 58 CO 0.00 1.89 1.28 2.56 0.00 0.00 0.00 173.10 178.83 1f22 s PRO 59 N 2.39 3.43 -0.32 2.90 0.04 -1.26 -4.94 135.00 137.23 1f22 s PRO 59 Ca 0.43 2.05 0.14 0.00 0.04 0.00 0.00 61.00 63.66 1f22 s PRO 59 Cb -0.17 -2.34 0.42 0.00 0.04 0.00 0.00 34.50 32.45 1f22 s PRO 59 CO 0.12 -0.90 1.48 2.41 0.04 0.00 0.00 177.00 180.15 1f22 n THR 60 N -0.75 0.17 0.00 1.26 -1.04 -1.26 -5.05 114.28 107.61 1f22 n THR 60 Ca 0.09 -1.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.86 1f22 n THR 60 Cb 0.46 1.03 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1f22 n LYS 61 N -1.39 0.00 0.00 -2.82 5.02 -1.26 -4.62 118.16 113.08 1f22 n LYS 61 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1f22 n LYS 61 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.88 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 4.65 1.57 0.48 0.00 0.00 -1.26 -4.77 105.19 105.86 1f22 n GLY 63 Ca 0.00 -0.17 0.38 0.00 0.00 0.00 0.00 46.02 46.23 1f22 n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1f22 h GLY 64 N 0.00 1.23 0.00 -0.02 0.00 -1.92 -3.35 103.07 99.02 1f22 h GLY 64 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1f22 h GLY 64 CO 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 176.54 175.90 1f22 s HIS 66 N -2.00 3.15 -0.98 0.00 4.02 -1.26 -4.00 115.29 114.23 1f22 s HIS 66 Ca 0.00 0.96 -0.08 0.00 1.02 0.00 0.00 55.06 56.96 1f22 s HIS 66 Cb 0.00 -3.64 -0.10 0.00 -1.02 0.00 0.00 32.58 27.82 1f22 s HIS 66 CO 0.00 -2.26 3.06 -0.89 1.02 0.00 0.00 174.74 175.67 1f22 n ILE 67 N 4.15 3.98 0.00 0.60 2.08 -1.21 -4.21 119.36 124.75 1f22 n ILE 67 Ca 0.12 -2.57 0.00 0.00 0.56 0.00 0.00 62.75 60.86 1f22 n ILE 67 Cb 0.43 -2.25 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40