#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iz4 s TYR 3 N -2.69 -0.84 0.46 0.00 1.13 0.52 -4.99 117.35 110.95 2iz4 s TYR 3 Ca 0.53 1.92 -0.12 0.00 -1.41 0.00 0.00 57.07 57.98 2iz4 s TYR 3 Cb -0.05 0.37 -0.07 0.00 -1.10 0.00 0.00 41.96 41.12 2iz4 s TYR 3 CO 0.33 -0.41 0.87 -0.06 -2.51 0.00 0.00 175.55 173.77 2iz4 s PHE 4 N 0.72 3.48 -0.02 -3.49 0.08 -1.26 -2.03 117.98 115.46 2iz4 s PHE 4 Ca -0.03 1.20 0.01 0.00 0.12 0.00 0.00 56.93 58.23 2iz4 s PHE 4 Cb -0.05 -2.58 0.01 0.00 -0.57 0.00 0.00 43.02 39.84 2iz4 s PHE 4 CO -0.05 -0.25 -0.02 0.42 -0.10 0.00 0.00 175.22 175.21 2iz4 s ILE 5 N -2.55 0.26 -0.35 0.64 1.01 -0.52 -4.93 121.20 114.76 2iz4 s ILE 5 Ca 0.54 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 2iz4 s ILE 5 Cb -0.10 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.08 2iz4 s ILE 5 CO 0.34 0.13 1.34 -2.16 0.00 0.00 0.00 174.94 174.58 2iz4 s PRO 6 N 0.56 3.79 0.22 2.79 0.04 -1.26 0.23 135.00 141.36 2iz4 s PRO 6 Ca -0.06 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 2iz4 s PRO 6 Cb -0.09 -3.93 -0.15 0.00 0.04 0.00 0.00 34.50 30.36 2iz4 s PRO 6 CO -0.01 -1.29 0.96 -1.71 0.04 0.00 0.00 177.00 175.00 2iz4 n ASN 7 N 8.06 0.72 -1.33 6.66 5.15 0.27 -4.86 115.26 129.93 2iz4 n ASN 7 Ca 0.15 1.15 0.08 0.00 -0.60 0.00 0.00 54.58 55.37 2iz4 n ASN 7 Cb 0.47 -1.18 0.31 0.00 -0.53 0.00 0.00 39.78 38.86 2iz4 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2iz4 n GLN 8 N 1.18 3.66 -3.86 1.20 1.13 -1.25 -4.85 117.38 114.59 2iz4 n GLN 8 Ca 0.14 -2.83 -0.21 0.00 -1.94 0.00 0.00 57.00 52.16 2iz4 n GLN 8 Cb 0.27 -1.88 -0.02 0.00 0.11 0.00 0.00 30.24 28.71 2iz4 n GLN 8 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2iz4 s SER 9 N -1.20 5.98 -0.10 1.08 1.04 -1.26 -4.84 113.70 114.40 2iz4 s SER 9 Ca 0.46 -0.11 0.14 0.00 0.48 0.00 0.00 55.95 56.92 2iz4 s SER 9 Cb 0.33 -1.53 0.22 0.00 0.10 0.00 0.00 66.02 65.13 2iz4 s SER 9 CO 0.17 -0.18 1.11 0.00 0.98 0.00 0.00 173.24 175.32 2iz4 n LEU 10 N -1.42 2.21 -4.85 2.42 -0.00 -1.26 -4.91 117.00 109.18 2iz4 n LEU 10 Ca -0.06 -2.78 -0.32 0.00 -0.00 0.00 0.00 56.01 52.85 2iz4 n LEU 10 Cb 0.58 -0.32 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 2iz4 n LEU 10 CO 0.44 0.65 0.65 -0.54 -0.00 0.00 0.00 177.39 178.59 2iz4 s LYS 11 N -2.38 3.89 0.05 1.47 1.02 -1.26 -5.02 119.74 117.51 2iz4 s LYS 11 Ca 0.24 0.87 -0.18 0.00 0.02 0.00 0.00 55.97 56.92 2iz4 s LYS 11 Cb 0.21 -2.16 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 2iz4 s LYS 11 CO 0.02 -0.27 1.28 -1.00 -0.92 0.00 0.00 175.35 174.46 2iz4 h PRO 12 N 0.82 -0.43 -1.63 -1.68 0.13 -1.98 -3.35 132.00 123.87 2iz4 h PRO 12 Ca -0.47 0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2iz4 h PRO 12 Cb 1.19 0.10 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 2iz4 h PRO 12 CO 0.62 -0.29 -0.88 0.27 -0.23 0.00 0.00 178.00 177.49 2iz4 n ASN 13 N -3.93 3.40 -3.77 1.44 6.94 -1.26 -5.03 115.26 113.05 2iz4 n ASN 13 Ca -0.05 -3.39 -0.13 0.00 -0.02 0.00 0.00 54.58 50.99 2iz4 n ASN 13 Cb 0.22 -0.52 -0.09 0.00 -2.36 0.00 0.00 39.78 37.03 2iz4 n ASN 13 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2iz4 s GLU 14 N -3.29 0.62 0.01 -3.83 2.02 -1.26 -0.64 118.70 112.34 2iz4 s GLU 14 Ca 0.42 -0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.35 2iz4 s GLU 14 Cb 0.38 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.86 2iz4 s GLU 14 CO -0.11 -0.16 -0.24 0.00 0.02 0.00 0.00 175.26 174.77 2iz4 s GLN 16 N -0.97 3.43 0.86 0.00 0.74 -1.26 -2.55 119.66 119.91 2iz4 s GLN 16 Ca 0.11 -0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.24 2iz4 s GLN 16 Cb -0.10 -3.15 0.17 0.00 1.10 0.00 0.00 33.01 31.03 2iz4 s GLN 16 CO 0.01 0.75 1.19 0.34 -0.55 0.00 0.00 175.29 177.03 2iz4 s ASP 17 N -1.28 3.60 0.35 6.67 2.15 0.34 -3.83 116.67 124.67 2iz4 s ASP 17 Ca 0.18 -0.03 0.05 0.00 0.43 0.00 0.00 52.55 53.18 2iz4 s ASP 17 Cb -0.12 -0.13 0.64 0.00 -0.30 0.00 0.00 42.92 43.01 2iz4 s ASP 17 CO 0.08 -2.39 1.90 -0.07 -0.17 0.00 0.00 175.17 174.53 2iz4 h LEU 18 N -1.18 0.48 -0.09 -1.34 -0.00 -1.99 -2.90 115.31 108.28 2iz4 h LEU 18 Ca -0.41 -0.08 -0.15 0.00 -0.00 0.00 0.00 57.88 57.24 2iz4 h LEU 18 Cb 1.25 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2iz4 h LEU 18 CO 0.38 0.53 -0.53 0.50 -0.00 0.00 0.00 178.44 179.32 2iz4 h LYS 19 N 0.51 0.52 0.00 1.13 3.11 -2.04 -3.47 116.57 116.32 2iz4 h LYS 19 Ca 0.11 -0.44 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2iz4 h LYS 19 Cb 0.27 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2iz4 h LYS 19 CO 0.00 1.07 0.00 0.41 -2.81 0.00 0.00 179.45 178.12 2iz4 n GLY 20 N 0.75 -0.35 3.81 5.01 0.00 -1.10 -5.14 105.19 108.16 2iz4 n GLY 20 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2iz4 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iz4 s VAL 21 N -0.38 5.19 0.12 1.61 1.01 -1.26 -4.77 120.40 121.92 2iz4 s VAL 21 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.68 2iz4 s VAL 21 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2iz4 s VAL 21 CO 0.00 0.53 0.12 -0.55 0.00 0.00 0.00 175.10 175.20 2iz4 s SER 22 N -0.62 5.60 0.02 3.32 0.15 -1.26 -0.51 113.70 120.40 2iz4 s SER 22 Ca 0.21 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.82 2iz4 s SER 22 Cb -0.15 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 2iz4 s SER 22 CO 0.09 0.12 -0.04 -1.00 1.20 0.00 0.00 173.24 173.61 2iz4 s HIS 23 N -1.58 0.38 0.35 3.44 3.76 -1.06 -4.99 115.29 115.60 2iz4 s HIS 23 Ca 0.31 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.53 2iz4 s HIS 23 Cb -0.11 -0.25 -0.11 0.00 1.11 0.00 0.00 32.58 33.22 2iz4 s HIS 23 CO 0.23 -0.11 1.44 -1.25 -0.85 0.00 0.00 174.74 174.21 2iz4 s PRO 24 N -1.15 4.19 0.01 8.40 0.04 -1.26 -3.19 135.00 142.04 2iz4 s PRO 24 Ca -0.10 2.45 -0.32 0.00 0.04 0.00 0.00 61.00 63.08 2iz4 s PRO 24 Cb -0.08 -3.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.34 2iz4 s PRO 24 CO -0.00 -0.44 1.90 -0.11 0.04 0.00 0.00 177.00 178.39 2iz4 n LEU 25 N 0.88 3.83 0.00 -3.56 7.94 0.18 -1.54 117.00 124.73 2iz4 n LEU 25 Ca 0.02 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 2iz4 n LEU 25 Cb 0.40 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.88 2iz4 n LEU 25 CO 0.62 0.08 0.00 -0.46 -1.11 0.00 0.00 177.39 176.52 2iz4 n ASN 26 N 6.75 0.00 -4.81 1.96 0.23 -0.99 -5.03 115.26 113.37 2iz4 n ASN 26 Ca 0.21 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.90 2iz4 n ASN 26 Cb 0.35 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.98 2iz4 n ASN 26 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2iz4 s SER 27 N -2.18 5.94 -0.23 0.53 0.01 -0.59 -4.95 113.70 112.23 2iz4 s SER 27 Ca 0.00 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 2iz4 s SER 27 Cb 0.00 -1.82 0.02 0.00 0.21 0.00 0.00 66.02 64.43 2iz4 s SER 27 CO 0.00 0.37 -0.09 0.54 0.41 0.00 0.00 173.24 174.47 2iz4 s VAL 28 N -1.03 2.77 0.51 3.43 0.11 -1.26 -3.12 120.40 121.81 2iz4 s VAL 28 Ca 0.16 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.35 2iz4 s VAL 28 Cb -0.12 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2iz4 s VAL 28 CO 0.06 0.31 0.36 -1.66 -3.33 0.00 0.00 175.10 170.84 2iz4 s TRP 29 N 1.34 1.86 -0.03 1.54 -2.14 -0.71 -4.91 118.94 115.89 2iz4 s TRP 29 Ca 0.02 -0.78 0.05 0.00 2.66 0.00 0.00 56.10 58.05 2iz4 s TRP 29 Cb -0.15 -1.93 -0.01 0.00 -3.10 0.00 0.00 33.47 28.27 2iz4 s TRP 29 CO -0.06 -0.34 -0.19 0.15 -2.66 0.00 0.00 176.95 173.86 2iz4 s LYS 30 N -4.21 1.73 0.48 3.25 1.02 -1.26 -1.46 119.74 119.30 2iz4 s LYS 30 Ca 0.35 -0.67 0.08 0.00 0.02 0.00 0.00 55.97 55.76 2iz4 s LYS 30 Cb -0.01 -1.57 0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2iz4 s LYS 30 CO 0.21 0.33 0.63 0.95 -0.92 0.00 0.00 175.35 176.55 2iz4 s THR 31 N -0.20 2.61 -2.00 2.17 -4.23 -0.81 -4.98 115.64 108.19 2iz4 s THR 31 Ca 0.01 -1.05 0.18 0.00 -1.18 0.00 0.00 61.69 59.65 2iz4 s THR 31 Cb -0.10 -2.66 0.50 0.00 1.34 0.00 0.00 72.50 71.59 2iz4 s THR 31 CO 0.01 0.00 1.62 0.29 -0.54 0.00 0.00 174.62 176.00 2iz4 n LYS 32 N -1.96 0.91 -1.45 3.99 4.01 -1.26 -3.37 118.16 119.04 2iz4 n LYS 32 Ca 0.10 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.60 2iz4 n LYS 32 Cb 0.60 -1.30 0.08 0.00 -0.51 0.00 0.00 35.03 33.90 2iz4 n LYS 32 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2iz4 n ASP 33 N -0.80 6.46 -3.71 4.39 8.00 -1.26 -4.95 116.55 124.68 2iz4 n ASP 33 Ca 0.13 -3.77 -0.24 0.00 0.71 0.00 0.00 54.79 51.63 2iz4 n ASP 33 Cb 0.06 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 2iz4 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iz4 s GLU 35 N -4.85 1.10 -0.07 0.00 -1.05 -1.26 -2.88 118.70 109.70 2iz4 s GLU 35 Ca 0.02 -0.41 0.05 0.00 -0.15 0.00 0.00 54.97 54.48 2iz4 s GLU 35 Cb -0.01 0.50 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2iz4 s GLU 35 CO 0.82 -0.48 -0.22 -1.83 0.95 0.00 0.00 175.26 174.50 2iz4 s GLU 36 N -3.50 2.47 -0.02 -4.83 -1.05 0.13 -1.93 118.70 109.97 2iz4 s GLU 36 Ca 0.03 -0.78 0.04 0.00 -0.15 0.00 0.00 54.97 54.10 2iz4 s GLU 36 Cb -0.01 -2.00 -0.01 0.00 -0.44 0.00 0.00 34.13 31.67 2iz4 s GLU 36 CO -0.11 0.25 -0.14 0.00 0.95 0.00 0.00 175.26 176.21 2iz4 s THR 38 N -0.11 2.21 0.09 0.00 2.01 -0.26 -1.73 115.64 117.84 2iz4 s THR 38 Ca 0.01 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 2iz4 s THR 38 Cb -0.08 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 2iz4 s THR 38 CO 0.00 0.56 0.98 0.00 -0.69 0.00 0.00 174.62 175.48 2iz4 n GLY 40 N 2.42 3.78 0.01 0.00 0.00 0.19 -2.35 105.19 109.24 2iz4 n GLY 40 Ca 0.03 -1.43 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 2iz4 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2iz4 n GLN 41 N 0.00 0.08 -0.11 1.61 1.13 -1.26 -4.60 117.38 114.23 2iz4 n GLN 41 Ca 0.00 0.29 0.04 0.00 -1.94 0.00 0.00 57.00 55.38 2iz4 n GLN 41 Cb 0.00 -0.90 0.09 0.00 0.11 0.00 0.00 30.24 29.54 2iz4 n GLN 41 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2iz4 n ASP 42 N -2.67 2.51 -3.76 1.08 8.00 -1.26 -4.86 116.55 115.59 2iz4 n ASP 42 Ca -0.01 -2.24 -0.10 0.00 0.71 0.00 0.00 54.79 53.14 2iz4 n ASP 42 Cb 0.05 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 2iz4 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iz4 s ALA 43 N -1.42 -0.60 -0.09 2.24 0.00 -1.26 -0.56 121.76 120.07 2iz4 s ALA 43 Ca 0.15 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.93 2iz4 s ALA 43 Cb 0.11 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.71 2iz4 s ALA 43 CO 0.06 -0.51 -0.19 0.42 0.00 0.00 0.00 175.76 175.54 2iz4 s ILE 44 N -3.34 1.69 -0.51 0.00 1.01 0.14 -0.63 121.20 119.56 2iz4 s ILE 44 Ca 0.01 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 2iz4 s ILE 44 Cb 0.02 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 41.04 2iz4 s ILE 44 CO -0.08 0.48 0.83 -0.55 0.00 0.00 0.00 174.94 175.61 2iz4 s SER 45 N 0.50 6.34 0.02 3.58 0.15 0.16 -1.44 113.70 123.01 2iz4 s SER 45 Ca -0.17 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.14 2iz4 s SER 45 Cb -0.17 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2iz4 s SER 45 CO 0.06 -1.05 -0.02 0.00 1.20 0.00 0.00 173.24 173.43 2iz4 s ASN 48 N -1.31 6.69 0.00 0.00 6.03 -1.26 -0.70 114.94 124.39 2iz4 s ASN 48 Ca -0.13 2.76 0.25 0.00 -1.03 0.00 0.00 52.86 54.70 2iz4 s ASN 48 Cb -0.04 -2.65 0.35 0.00 -3.03 0.00 0.00 41.25 35.87 2iz4 s ASN 48 CO 0.05 -0.60 1.35 0.35 -2.03 0.00 0.00 177.10 176.22 2iz4 n THR 49 N 0.77 0.00 -3.61 0.54 -2.24 -1.14 -4.78 114.28 103.82 2iz4 n THR 49 Ca 0.00 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 60.97 2iz4 n THR 49 Cb 0.41 1.29 -0.11 0.00 -2.10 0.00 0.00 70.33 69.83 2iz4 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iz4 s ALA 50 N -2.03 3.55 0.61 6.98 0.00 -1.26 -4.94 121.76 124.67 2iz4 s ALA 50 Ca 0.29 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 2iz4 s ALA 50 Cb 0.20 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2iz4 s ALA 50 CO 0.32 -0.45 1.29 0.00 0.00 0.00 0.00 175.76 176.92 2iz4 s ALA 51 N 1.56 2.52 -0.66 0.00 0.00 -1.26 -4.88 121.76 119.04 2iz4 s ALA 51 Ca 0.07 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 2iz4 s ALA 51 Cb -0.15 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.56 2iz4 s ALA 51 CO 0.09 -1.45 0.73 0.42 0.00 0.00 0.00 175.76 175.55 2iz4 s ILE 52 N -1.41 5.00 0.89 0.00 -1.09 -0.40 -4.43 121.20 119.75 2iz4 s ILE 52 Ca 0.79 -1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.73 2iz4 s ILE 52 Cb -0.37 -4.50 0.13 0.00 -1.58 0.00 0.00 42.46 36.14 2iz4 s ILE 52 CO 0.40 -1.11 1.11 -2.16 -1.23 0.00 0.00 174.94 171.94 2iz4 s PRO 53 N 2.12 1.27 0.18 2.79 0.04 -1.26 -0.57 135.00 139.57 2iz4 s PRO 53 Ca 0.13 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 2iz4 s PRO 53 Cb -0.21 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2iz4 s PRO 53 CO 0.02 -2.35 0.33 -2.37 0.04 0.00 0.00 177.00 172.67 2iz4 n THR 54 N -4.01 0.00 -0.02 1.26 5.66 -0.65 -4.85 114.28 111.67 2iz4 n THR 54 Ca 0.09 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2iz4 n THR 54 Cb 0.53 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 2iz4 n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2iz4 n GLY 55 N -0.26 2.93 3.86 1.09 0.00 -1.26 -2.20 105.19 109.34 2iz4 n GLY 55 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2iz4 n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2iz4 s TYR 56 N -3.02 1.82 -0.77 1.61 -0.85 -1.08 -4.76 117.35 110.31 2iz4 s TYR 56 Ca 0.00 0.50 -0.25 0.00 -0.52 0.00 0.00 57.07 56.80 2iz4 s TYR 56 Cb 0.00 -3.80 -0.05 0.00 0.38 0.00 0.00 41.96 38.49 2iz4 s TYR 56 CO 0.00 -2.62 2.01 -0.51 -1.52 0.00 0.00 175.55 172.90 2iz4 s ASP 57 N -4.56 4.99 0.41 -0.18 1.01 -1.26 -4.76 116.67 112.31 2iz4 s ASP 57 Ca 0.70 -0.14 0.29 0.00 0.71 0.00 0.00 52.55 54.11 2iz4 s ASP 57 Cb -0.08 -2.54 1.16 0.00 1.01 0.00 0.00 42.92 42.47 2iz4 s ASP 57 CO 0.53 -2.77 1.85 0.71 0.21 0.00 0.00 175.17 175.70 2iz4 h THR 58 N 7.22 0.00 -0.02 -1.27 1.35 -1.91 3.01 112.91 121.30 2iz4 h THR 58 Ca -0.05 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2iz4 h THR 58 Cb 1.08 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2iz4 h THR 58 CO 1.19 0.00 -0.38 0.59 -0.25 0.00 0.00 175.52 176.67 2iz4 n ASN 59 N -2.70 2.18 0.00 5.36 3.02 -1.26 -4.62 115.26 117.24 2iz4 n ASN 59 Ca 0.02 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 2iz4 n ASN 59 Cb 0.28 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 2iz4 n ASN 59 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2iz4 n LYS 60 N 0.23 0.00 -3.20 3.52 0.00 -0.85 -5.08 118.16 112.78 2iz4 n LYS 60 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.20 2iz4 n LYS 60 Cb 0.48 -0.55 0.05 0.00 0.00 0.00 0.00 35.03 35.01 2iz4 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2iz4 s GLN 62 N -4.58 1.06 -0.25 0.00 -2.07 -0.71 -4.44 119.66 108.67 2iz4 s GLN 62 Ca 0.56 -0.58 -0.18 0.00 -1.82 0.00 0.00 55.36 53.34 2iz4 s GLN 62 Cb -0.05 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 2iz4 s GLN 62 CO 0.35 -0.41 0.53 -1.59 -1.32 0.00 0.00 175.29 172.86 2iz4 s LYS 63 N -3.44 4.10 -0.15 9.60 0.00 -1.26 -2.68 119.74 125.91 2iz4 s LYS 63 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 55.97 56.35 2iz4 s LYS 63 Cb 0.01 -3.63 0.02 0.00 0.00 0.00 0.00 37.83 34.23 2iz4 s LYS 63 CO -0.09 -0.31 -0.13 0.42 0.00 0.00 0.00 175.35 175.23 2iz4 s ILE 64 N 2.18 1.52 0.31 3.79 -1.09 -0.75 -5.01 121.20 122.15 2iz4 s ILE 64 Ca 0.23 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 2iz4 s ILE 64 Cb -0.16 -1.45 -0.10 0.00 -1.58 0.00 0.00 42.46 39.17 2iz4 s ILE 64 CO 0.09 0.42 1.19 -0.22 -1.23 0.00 0.00 174.94 175.20 2iz4 s LEU 65 N 1.50 4.47 -0.24 2.97 2.96 -1.26 -2.50 118.68 126.59 2iz4 s LEU 65 Ca 0.04 2.46 -0.07 0.00 -0.22 0.00 0.00 54.13 56.34 2iz4 s LEU 65 Cb -0.13 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 2iz4 s LEU 65 CO -0.10 -0.35 0.06 0.20 -1.32 0.00 0.00 176.35 174.83 2iz4 s ASN 66 N -0.72 5.08 0.00 3.68 0.01 0.43 -4.95 114.94 118.46 2iz4 s ASN 66 Ca 0.47 -0.20 0.27 0.00 -0.71 0.00 0.00 52.86 52.69 2iz4 s ASN 66 Cb -0.35 -1.90 0.87 0.00 0.41 0.00 0.00 41.25 40.28 2iz4 s ASN 66 CO 0.46 -0.01 1.65 0.29 -1.51 0.00 0.00 177.10 177.98 2iz4 n LYS 67 N 4.76 0.37 0.41 -0.60 4.76 -1.26 -1.84 118.16 124.77 2iz4 n LYS 67 Ca -0.16 -0.17 -0.16 0.00 -2.87 0.00 0.00 58.31 54.94 2iz4 n LYS 67 Cb 0.51 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.13 2iz4 n LYS 67 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2iz4 h LYS 68 N 0.42 -1.01 -0.20 1.97 1.57 -1.94 -3.33 116.57 114.05 2iz4 h LYS 68 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2iz4 h LYS 68 Cb 0.46 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2iz4 h LYS 68 CO 0.00 -0.68 0.00 0.25 -0.57 0.00 0.00 179.45 178.45 2iz4 n THR 69 N -4.88 1.45 -3.27 -0.16 -2.24 -1.26 -5.02 114.28 98.91 2iz4 n THR 69 Ca -0.13 -1.40 -0.10 0.00 -2.27 0.00 0.00 64.05 60.15 2iz4 n THR 69 Cb 0.42 0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.87 2iz4 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iz4 s THR 71 N -3.11 0.03 0.13 0.00 -1.32 -0.90 -4.68 115.64 105.79 2iz4 s THR 71 Ca 0.12 -0.26 -0.12 0.00 -1.21 0.00 0.00 61.69 60.22 2iz4 s THR 71 Cb -0.03 -0.98 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 2iz4 s THR 71 CO 0.78 -0.15 0.50 -0.31 -2.21 0.00 0.00 174.62 173.24 2iz4 s TYR 72 N -2.53 3.58 0.13 9.09 2.02 -1.26 -0.43 117.35 127.94 2iz4 s TYR 72 Ca -0.05 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 57.62 2iz4 s TYR 72 Cb -0.01 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 2iz4 s TYR 72 CO -0.02 0.44 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.29 2iz4 s THR 73 N -1.48 0.58 -0.06 -0.71 -1.32 -1.04 -4.93 115.64 106.68 2iz4 s THR 73 Ca 0.37 -1.94 0.03 0.00 -1.21 0.00 0.00 61.69 58.94 2iz4 s THR 73 Cb -0.14 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.97 2iz4 s THR 73 CO 0.19 -0.68 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.10 2iz4 s VAL 74 N -3.71 1.14 0.11 5.08 1.01 -1.26 -1.81 120.40 120.97 2iz4 s VAL 74 Ca 0.18 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2iz4 s VAL 74 Cb 0.06 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 2iz4 s VAL 74 CO -0.01 0.35 0.23 0.68 0.00 0.00 0.00 175.10 176.35 2iz4 s VAL 75 N 0.47 0.11 0.36 2.92 -7.23 -1.09 -3.19 120.40 112.76 2iz4 s VAL 75 Ca -0.11 -1.22 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 2iz4 s VAL 75 Cb -0.14 -1.50 -0.12 0.00 0.56 0.00 0.00 36.38 35.19 2iz4 s VAL 75 CO 0.03 -0.52 1.22 -0.62 -0.31 0.00 0.00 175.10 174.90 2iz4 n GLU 76 N -0.12 1.89 -0.34 4.82 -0.58 -1.08 -1.75 120.64 123.49 2iz4 n GLU 76 Ca -0.13 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 2iz4 n GLU 76 Cb 0.63 -2.24 0.14 0.00 -0.57 0.00 0.00 31.44 29.40 2iz4 n GLU 76 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2iz4 h LYS 77 N 2.26 1.08 0.57 3.49 1.57 -1.44 -2.65 116.57 121.45 2iz4 h LYS 77 Ca -0.45 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 2iz4 h LYS 77 Cb 1.30 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.37 2iz4 h LYS 77 CO 0.61 0.72 -0.27 1.57 -0.57 0.00 0.00 179.45 181.50 2iz4 h LYS 78 N 1.11 -0.74 -4.88 3.15 2.10 -1.90 -3.40 116.57 112.02 2iz4 h LYS 78 Ca 0.39 0.05 -0.69 0.00 -2.00 0.00 0.00 60.65 58.39 2iz4 h LYS 78 Cb 0.09 0.17 -0.19 0.00 -0.90 0.00 0.00 32.23 31.40 2iz4 h LYS 78 CO -0.15 -0.45 -0.11 -0.51 -2.00 0.00 0.00 179.45 176.24 2iz4 s ASP 79 N -4.68 6.21 0.00 7.07 1.01 -1.00 -4.93 116.67 120.35 2iz4 s ASP 79 Ca -0.13 -0.80 0.07 0.00 0.71 0.00 0.00 52.55 52.39 2iz4 s ASP 79 Cb 0.01 -2.25 0.39 0.00 1.01 0.00 0.00 42.92 42.08 2iz4 s ASP 79 CO 0.42 -0.71 1.19 -0.81 0.21 0.00 0.00 175.17 175.47 2iz4 n PRO 80 N 5.80 0.93 0.00 8.23 -0.04 -1.22 -2.63 135.00 146.08 2iz4 n PRO 80 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2iz4 n PRO 80 Cb 0.46 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2iz4 n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iz4 n GLY 81 N 0.53 0.26 0.00 0.55 0.00 -1.26 -4.89 105.19 100.38 2iz4 n GLY 81 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2iz4 n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2iz4 n LYS 82 N -0.19 0.00 -3.59 1.61 3.00 -1.19 -5.06 118.16 112.75 2iz4 n LYS 82 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 2iz4 n LYS 82 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.20 2iz4 n LYS 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2iz4 s THR 83 N 0.08 0.00 0.00 3.15 -4.23 -1.26 -4.86 115.64 108.52 2iz4 s THR 83 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2iz4 s THR 83 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2iz4 s THR 83 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2iz4 s ASP 85 N 0.95 -0.75 0.07 0.00 1.01 -1.26 -5.06 116.67 111.63 2iz4 s ASP 85 Ca 0.00 1.25 0.06 0.00 0.71 0.00 0.00 52.55 54.57 2iz4 s ASP 85 Cb 0.00 1.14 -0.03 0.00 1.01 0.00 0.00 42.92 45.04 2iz4 s ASP 85 CO 0.00 -0.22 -0.17 0.68 0.21 0.00 0.00 175.17 175.67 2iz4 s VAL 86 N 1.37 1.35 -1.03 -1.27 -7.23 -1.26 -2.62 120.40 109.71 2iz4 s VAL 86 Ca -0.08 -1.26 0.11 0.00 -1.81 0.00 0.00 61.98 58.93 2iz4 s VAL 86 Cb -0.06 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.65 2iz4 s VAL 86 CO -0.14 -0.05 0.68 0.35 -0.31 0.00 0.00 175.10 175.63 2iz4 n THR 87 N 1.50 0.00 -3.73 5.32 -2.24 -0.94 -4.99 114.28 109.20 2iz4 n THR 87 Ca -0.19 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2iz4 n THR 87 Cb 0.54 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2iz4 n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iz4 n GLY 88 N 0.88 -1.29 3.46 3.38 0.00 -1.26 -5.04 105.19 105.32 2iz4 n GLY 88 Ca 0.05 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 2iz4 n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2iz4 s TRP 89 N -3.00 0.67 -0.01 1.61 0.51 -1.26 -1.63 118.94 115.83 2iz4 s TRP 89 Ca 0.00 -0.97 0.02 0.00 -2.12 0.00 0.00 56.10 53.02 2iz4 s TRP 89 Cb 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 33.47 32.59 2iz4 s TRP 89 CO 0.00 -0.89 -0.06 0.08 -0.51 0.00 0.00 176.95 175.57 2iz4 s VAL 90 N -4.01 0.49 0.00 4.03 1.01 0.27 -4.89 120.40 117.31 2iz4 s VAL 90 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2iz4 s VAL 90 Cb 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2iz4 s VAL 90 CO 0.11 0.15 0.00 -0.11 0.00 0.00 0.00 175.10 175.25