#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iz3 n TYR 3 N 1.85 -1.39 -4.21 0.00 4.11 0.26 -4.99 117.16 112.79 2iz3 n TYR 3 Ca -0.29 -2.44 -0.16 0.00 -0.00 0.00 0.00 57.90 55.01 2iz3 n TYR 3 Cb 0.45 0.53 -0.13 0.00 -0.00 0.00 0.00 39.34 40.18 2iz3 n TYR 3 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2iz3 s PHE 4 N -2.94 0.76 -0.10 -3.48 0.40 -1.26 -1.71 117.98 109.64 2iz3 s PHE 4 Ca 0.31 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 2iz3 s PHE 4 Cb -0.01 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 2iz3 s PHE 4 CO 0.22 -0.02 -0.17 0.42 0.70 0.00 0.00 175.22 176.36 2iz3 s ILE 5 N -0.67 2.68 0.95 0.64 1.01 0.35 -5.00 121.20 121.16 2iz3 s ILE 5 Ca -0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 2iz3 s ILE 5 Cb -0.06 -2.08 0.16 0.00 0.01 0.00 0.00 42.46 40.50 2iz3 s ILE 5 CO 0.00 0.55 1.12 -2.16 0.00 0.00 0.00 174.94 174.45 2iz3 s PRO 6 N 0.14 0.82 -0.63 2.79 0.04 -1.26 -1.25 135.00 135.66 2iz3 s PRO 6 Ca -0.09 0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.28 2iz3 s PRO 6 Cb -0.15 -1.80 0.40 0.00 0.04 0.00 0.00 34.50 32.99 2iz3 s PRO 6 CO 0.06 -2.43 2.05 0.27 0.04 0.00 0.00 177.00 176.99 2iz3 n ASN 7 N -3.94 7.50 -2.73 6.66 6.94 -1.24 -3.89 115.26 124.57 2iz3 n ASN 7 Ca 0.06 -3.67 -0.01 0.00 -0.02 0.00 0.00 54.58 50.94 2iz3 n ASN 7 Cb 0.59 -1.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.08 2iz3 n ASN 7 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2iz3 n GLU 8 N -0.67 1.54 0.00 -3.83 4.07 -1.26 -4.89 120.64 115.60 2iz3 n GLU 8 Ca 0.57 -2.62 0.00 0.00 -0.06 0.00 0.00 57.16 55.05 2iz3 n GLU 8 Cb 0.61 -0.81 0.00 0.00 -0.06 0.00 0.00 31.44 31.18 2iz3 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iz3 n GLY 9 N -0.91 0.00 3.72 8.31 0.00 -1.26 -5.15 105.19 109.90 2iz3 n GLY 9 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2iz3 n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2iz3 n VAL 10 N 0.00 4.39 -2.03 1.61 0.24 -1.25 -4.92 118.33 116.37 2iz3 n VAL 10 Ca 0.00 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 2iz3 n VAL 10 Cb 0.00 -1.51 -0.01 0.00 -1.47 0.00 0.00 33.84 30.85 2iz3 n VAL 10 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2iz3 s PRO 11 N -3.11 4.17 -1.56 7.34 0.04 -1.26 -2.90 135.00 137.72 2iz3 s PRO 11 Ca 0.78 2.27 -0.15 0.00 0.04 0.00 0.00 61.00 63.94 2iz3 s PRO 11 Cb -0.40 -2.94 0.10 0.00 0.04 0.00 0.00 34.50 31.30 2iz3 s PRO 11 CO 0.44 -0.37 0.95 0.41 0.04 0.00 0.00 177.00 178.48 2iz3 n GLY 12 N 0.69 -0.48 3.71 0.56 0.00 -1.26 -4.87 105.19 103.54 2iz3 n GLY 12 Ca 0.01 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2iz3 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2iz3 n ASP 13 N -2.80 3.14 0.00 1.61 -0.08 -1.14 -4.85 116.55 112.42 2iz3 n ASP 13 Ca 0.04 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 2iz3 n ASP 13 Cb 0.52 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.47 2iz3 n ASP 13 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2iz3 n SER 14 N 1.27 0.00 -0.47 1.67 3.41 -1.26 -4.88 113.62 113.36 2iz3 n SER 14 Ca 0.06 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.73 2iz3 n SER 14 Cb 0.36 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.36 2iz3 n SER 14 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2iz3 n THR 15 N -0.85 0.04 -0.06 6.66 -2.24 -1.26 -4.96 114.28 111.61 2iz3 n THR 15 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2iz3 n THR 15 Cb 0.00 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2iz3 n THR 15 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2iz3 n ARG 16 N 0.64 0.00 0.00 -0.78 0.63 -1.26 -4.73 116.66 111.16 2iz3 n ARG 16 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2iz3 n ARG 16 Cb 0.29 -3.31 0.00 0.00 0.45 0.00 0.00 32.46 29.89 2iz3 n ARG 16 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2iz3 n LYS 17 N -2.00 0.00 -3.26 -0.14 5.02 -1.26 -4.88 118.16 111.64 2iz3 n LYS 17 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2iz3 n LYS 17 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2iz3 n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iz3 s MET 19 N 2.24 1.38 0.35 0.00 1.75 -1.26 -3.52 119.30 120.23 2iz3 s MET 19 Ca 0.12 -0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.25 2iz3 s MET 19 Cb -0.11 -1.27 0.08 0.00 2.84 0.00 0.00 34.83 36.38 2iz3 s MET 19 CO -0.19 -0.08 0.47 -0.40 -0.65 0.00 0.00 175.02 174.18 2iz3 n ASP 20 N 4.16 0.20 0.16 1.11 5.75 -1.26 -4.88 116.55 121.79 2iz3 n ASP 20 Ca -0.21 -1.27 0.13 0.00 -0.01 0.00 0.00 54.79 53.43 2iz3 n ASP 20 Cb 0.51 -0.35 0.50 0.00 -1.03 0.00 0.00 41.12 40.75 2iz3 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2iz3 h LEU 21 N 0.00 0.00 -0.76 -2.12 -0.00 -1.94 -3.05 115.31 107.44 2iz3 h LEU 21 Ca -0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.66 2iz3 h LEU 21 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.09 2iz3 h LEU 21 CO 0.12 0.00 0.22 0.11 -0.00 0.00 0.00 178.44 178.90 2iz3 h LYS 22 N 0.00 1.16 0.00 1.13 1.79 -1.96 -3.46 116.57 115.23 2iz3 h LYS 22 Ca 0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2iz3 h LYS 22 Cb 0.48 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2iz3 h LYS 22 CO 0.00 0.99 0.00 0.41 -1.08 0.00 0.00 179.45 179.77 2iz3 n GLY 23 N -0.75 0.96 3.88 3.86 0.00 -1.15 -5.09 105.19 106.90 2iz3 n GLY 23 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2iz3 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iz3 s ASN 24 N -2.10 6.46 0.32 1.61 6.03 -1.26 -5.00 114.94 121.00 2iz3 s ASN 24 Ca 0.00 0.51 -0.24 0.00 -1.03 0.00 0.00 52.86 52.11 2iz3 s ASN 24 Cb 0.00 -2.07 -0.10 0.00 -3.03 0.00 0.00 41.25 36.05 2iz3 s ASN 24 CO 0.00 0.29 0.90 -0.75 -2.03 0.00 0.00 177.10 175.51 2iz3 s LYS 25 N -1.60 4.44 -0.44 3.55 2.20 -1.26 -4.02 119.74 122.61 2iz3 s LYS 25 Ca 0.24 1.18 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 2iz3 s LYS 25 Cb -0.13 -2.69 0.12 0.00 -1.51 0.00 0.00 37.83 33.62 2iz3 s LYS 25 CO 0.14 0.24 0.19 -1.01 -0.36 0.00 0.00 175.35 174.55 2iz3 s HIS 26 N -1.72 3.00 1.13 4.03 3.76 -1.23 -5.07 115.29 119.20 2iz3 s HIS 26 Ca 0.51 -2.88 -0.17 0.00 -0.15 0.00 0.00 55.06 52.36 2iz3 s HIS 26 Cb -0.16 -2.59 0.14 0.00 1.11 0.00 0.00 32.58 31.08 2iz3 s HIS 26 CO 0.21 -0.81 0.21 -2.30 -0.85 0.00 0.00 174.74 171.20 2iz3 n PRO 27 N 3.62 -1.80 -1.79 8.40 -0.02 -1.26 -4.71 135.00 137.44 2iz3 n PRO 27 Ca 0.05 -0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 60.63 2iz3 n PRO 27 Cb 0.36 -1.79 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 2iz3 n PRO 27 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2iz3 s ILE 28 N -2.27 2.06 0.00 4.25 -1.09 -1.26 -1.47 121.20 121.43 2iz3 s ILE 28 Ca 0.59 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2iz3 s ILE 28 Cb -0.15 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2iz3 s ILE 28 CO 0.66 0.01 0.00 0.59 -1.23 0.00 0.00 174.94 174.97 2iz3 n ASN 29 N -0.35 -3.46 -4.57 3.58 3.02 -1.14 -4.99 115.26 107.34 2iz3 n ASN 29 Ca 0.06 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 2iz3 n ASN 29 Cb 0.42 -1.65 -0.11 0.00 -0.61 0.00 0.00 39.78 37.84 2iz3 n ASN 29 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2iz3 s SER 30 N -2.11 5.60 0.08 6.41 0.15 -0.54 -5.00 113.70 118.29 2iz3 s SER 30 Ca 0.00 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2iz3 s SER 30 Cb 0.00 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 2iz3 s SER 30 CO 0.00 0.06 0.15 -1.61 1.20 0.00 0.00 173.24 173.04 2iz3 s GLU 31 N 1.05 3.15 -0.07 5.44 2.02 -1.26 -3.59 118.70 125.44 2iz3 s GLU 31 Ca 0.05 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 2iz3 s GLU 31 Cb -0.14 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.25 2iz3 s GLU 31 CO 0.04 0.58 0.17 1.67 0.02 0.00 0.00 175.26 177.73 2iz3 s TRP 32 N -1.49 -0.20 0.10 1.61 -2.14 -1.09 -5.03 118.94 110.71 2iz3 s TRP 32 Ca 0.32 0.49 -0.30 0.00 2.66 0.00 0.00 56.10 59.27 2iz3 s TRP 32 Cb -0.12 0.05 -0.06 0.00 -3.10 0.00 0.00 33.47 30.24 2iz3 s TRP 32 CO 0.25 -0.11 0.94 -0.65 -2.66 0.00 0.00 176.95 174.72 2iz3 s GLN 33 N 0.31 4.67 0.31 3.25 -0.21 -1.26 -2.70 119.66 124.02 2iz3 s GLN 33 Ca -0.02 1.41 0.06 0.00 0.02 0.00 0.00 55.36 56.84 2iz3 s GLN 33 Cb -0.03 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 2iz3 s GLN 33 CO -0.01 0.20 0.44 0.95 -2.12 0.00 0.00 175.29 174.75 2iz3 s THR 34 N 0.08 4.39 -1.26 -0.19 -4.23 0.14 -4.99 115.64 109.58 2iz3 s THR 34 Ca 0.47 -0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 59.83 2iz3 s THR 34 Cb -0.23 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 2iz3 s THR 34 CO 0.29 -0.21 2.18 -0.67 -0.54 0.00 0.00 174.62 175.67 2iz3 n ASP 35 N -1.59 3.78 -0.39 3.99 -0.08 -1.26 -3.15 116.55 117.85 2iz3 n ASP 35 Ca -0.02 -2.77 -0.00 0.00 -1.51 0.00 0.00 54.79 50.49 2iz3 n ASP 35 Cb 0.58 -1.49 -0.00 0.00 2.34 0.00 0.00 41.12 42.55 2iz3 n ASP 35 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2iz3 n ASN 36 N 6.30 -0.01 -3.99 1.67 2.85 -1.26 -4.97 115.26 115.85 2iz3 n ASN 36 Ca 0.53 -0.03 -0.30 0.00 -0.11 0.00 0.00 54.58 54.67 2iz3 n ASN 36 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 2iz3 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2iz3 s GLU 38 N -6.63 0.69 -0.04 0.00 2.12 -1.25 -2.32 118.70 111.26 2iz3 s GLU 38 Ca 0.51 -1.03 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2iz3 s GLU 38 Cb -0.27 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 33.85 2iz3 s GLU 38 CO 0.87 0.03 -0.04 0.99 -0.54 0.00 0.00 175.26 176.56 2iz3 s THR 39 N -2.37 0.52 0.21 -1.70 2.01 -1.14 0.26 115.64 113.43 2iz3 s THR 39 Ca 0.00 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 61.98 2iz3 s THR 39 Cb -0.03 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2iz3 s THR 39 CO -0.02 0.22 -0.03 0.00 -0.69 0.00 0.00 174.62 174.11 2iz3 s THR 41 N -1.96 1.81 -0.07 0.00 2.01 0.16 -2.66 115.64 114.94 2iz3 s THR 41 Ca 0.28 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 2iz3 s THR 41 Cb -0.08 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2iz3 s THR 41 CO 0.18 0.51 0.60 0.00 -0.69 0.00 0.00 174.62 175.21 2iz3 n TYR 43 N 3.49 1.01 0.10 0.00 4.01 -0.08 -2.90 117.16 122.78 2iz3 n TYR 43 Ca -0.05 -2.62 -0.12 0.00 -0.16 0.00 0.00 57.90 54.95 2iz3 n TYR 43 Cb 0.51 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 2iz3 n TYR 43 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2iz3 h GLU 44 N 0.00 -0.39 -0.20 -0.72 3.07 -2.00 -3.34 114.58 111.00 2iz3 h GLU 44 Ca -0.42 0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 58.27 2iz3 h GLU 44 Cb 1.31 0.09 -0.32 0.00 -0.84 0.00 0.00 28.75 28.99 2iz3 h GLU 44 CO 0.69 -0.26 -0.93 0.25 -1.40 0.00 0.00 179.01 177.35 2iz3 n THR 45 N -5.34 1.04 -3.67 1.13 -2.24 -1.26 -5.09 114.28 98.85 2iz3 n THR 45 Ca -0.06 -2.29 -0.03 0.00 -2.27 0.00 0.00 64.05 59.39 2iz3 n THR 45 Cb 0.26 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 2iz3 n THR 45 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2iz3 s GLU 46 N -2.02 0.91 -0.04 -0.78 -1.05 -1.25 -3.64 118.70 110.82 2iz3 s GLU 46 Ca 0.35 -0.47 0.02 0.00 -0.15 0.00 0.00 54.97 54.72 2iz3 s GLU 46 Cb 0.37 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.41 2iz3 s GLU 46 CO -0.09 -0.41 -0.07 0.42 0.95 0.00 0.00 175.26 176.06 2iz3 s ILE 47 N -3.03 0.70 0.22 1.83 1.01 -0.38 -0.91 121.20 120.65 2iz3 s ILE 47 Ca 0.11 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.57 2iz3 s ILE 47 Cb -0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 2iz3 s ILE 47 CO -0.02 0.25 0.20 -0.44 0.00 0.00 0.00 174.94 174.93 2iz3 s SER 48 N 0.63 5.62 -0.16 3.58 0.01 -0.46 -0.49 113.70 122.42 2iz3 s SER 48 Ca -0.10 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 2iz3 s SER 48 Cb -0.13 -1.47 0.12 0.00 0.21 0.00 0.00 66.02 64.75 2iz3 s SER 48 CO 0.01 -0.01 0.95 0.00 0.41 0.00 0.00 173.24 174.60 2iz3 s THR 51 N -0.58 4.47 -0.08 0.00 -1.32 -1.26 -2.89 115.64 113.97 2iz3 s THR 51 Ca -0.07 1.34 0.14 0.00 -1.21 0.00 0.00 61.69 61.90 2iz3 s THR 51 Cb -0.04 -3.64 -0.16 0.00 -1.51 0.00 0.00 72.50 67.15 2iz3 s THR 51 CO 0.02 -0.43 0.85 -0.07 -2.21 0.00 0.00 174.62 172.78 2iz3 h LEU 52 N 1.62 0.00 -9.91 9.08 3.38 -1.81 -3.47 115.31 114.19 2iz3 h LEU 52 Ca -0.48 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.01 2iz3 h LEU 52 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2iz3 h LEU 52 CO 0.62 0.76 0.39 -0.69 0.09 0.00 0.00 178.44 179.61 2iz3 s VAL 53 N -2.79 3.90 0.22 1.22 1.01 -1.26 -4.95 120.40 117.75 2iz3 s VAL 53 Ca -0.03 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.55 2iz3 s VAL 53 Cb 0.08 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2iz3 s VAL 53 CO 0.81 0.10 0.33 -0.44 0.00 0.00 0.00 175.10 175.90 2iz3 s SER 54 N -1.51 6.26 -0.18 3.32 0.01 -1.26 -4.89 113.70 115.46 2iz3 s SER 54 Ca 0.53 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.84 2iz3 s SER 54 Cb -0.22 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 2iz3 s SER 54 CO 0.27 -0.04 -0.08 -0.89 0.41 0.00 0.00 173.24 172.92 2iz3 s THR 55 N -1.93 3.25 0.44 1.44 2.01 -1.02 -4.19 115.64 115.66 2iz3 s THR 55 Ca 0.34 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.53 2iz3 s THR 55 Cb -0.09 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 2iz3 s THR 55 CO 0.29 0.47 1.39 -2.84 -0.69 0.00 0.00 174.62 173.24 2iz3 s PRO 56 N 0.96 3.73 -0.19 4.92 0.02 -1.26 -2.43 135.00 140.74 2iz3 s PRO 56 Ca -0.01 2.34 -0.26 0.00 0.02 0.00 0.00 61.00 63.09 2iz3 s PRO 56 Cb -0.15 -2.66 0.07 0.00 0.02 0.00 0.00 34.50 31.78 2iz3 s PRO 56 CO -0.00 -0.75 0.68 0.54 -0.33 0.00 0.00 177.00 177.14 2iz3 s VAL 57 N -1.22 0.00 0.00 3.83 0.11 -1.13 -4.93 120.40 117.05 2iz3 s VAL 57 Ca 0.60 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2iz3 s VAL 57 Cb -0.42 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 2iz3 s VAL 57 CO 0.54 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 2iz3 n GLY 58 N 2.16 0.86 3.15 6.54 0.00 -1.26 -2.71 105.19 113.92 2iz3 n GLY 58 Ca -0.16 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 2iz3 n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2iz3 s TYR 59 N -2.62 0.79 -0.65 1.61 1.13 -1.26 -2.22 117.35 114.13 2iz3 s TYR 59 Ca 0.00 -0.98 -0.26 0.00 -1.41 0.00 0.00 57.07 54.43 2iz3 s TYR 59 Cb 0.00 -0.48 -0.06 0.00 -1.10 0.00 0.00 41.96 40.32 2iz3 s TYR 59 CO 0.00 -0.23 2.14 -0.51 -2.51 0.00 0.00 175.55 174.44 2iz3 s ASP 60 N -3.01 4.74 0.24 -0.18 1.01 -1.26 -4.76 116.67 113.44 2iz3 s ASP 60 Ca 0.11 0.36 0.24 0.00 0.71 0.00 0.00 52.55 53.97 2iz3 s ASP 60 Cb 0.06 -2.53 0.94 0.00 1.01 0.00 0.00 42.92 42.40 2iz3 s ASP 60 CO -0.06 -2.86 1.72 0.29 0.21 0.00 0.00 175.17 174.47 2iz3 n LYS 61 N 9.02 0.20 0.00 8.23 5.02 -1.26 -0.61 118.16 138.75 2iz3 n LYS 61 Ca 0.33 0.37 -0.17 0.00 -2.02 0.00 0.00 58.31 56.82 2iz3 n LYS 61 Cb 0.51 -1.84 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 2iz3 n LYS 61 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2iz3 h ASP 62 N 0.00 0.29 0.40 4.39 3.58 -2.03 -3.38 116.42 119.67 2iz3 h ASP 62 Ca 0.00 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2iz3 h ASP 62 Cb 0.44 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2iz3 h ASP 62 CO 0.00 1.55 -1.45 0.59 -2.88 0.00 0.00 179.24 177.05 2iz3 n ASN 63 N -3.34 0.43 -4.19 2.28 3.02 -1.18 -4.92 115.26 107.37 2iz3 n ASN 63 Ca -0.26 0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.08 2iz3 n ASN 63 Cb 1.05 1.23 -0.14 0.00 -0.61 0.00 0.00 39.78 41.30 2iz3 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iz3 s GLN 65 N -0.85 2.52 0.20 0.00 -2.07 -1.01 -4.23 119.66 114.22 2iz3 s GLN 65 Ca 0.06 -0.91 -0.29 0.00 -1.82 0.00 0.00 55.36 52.40 2iz3 s GLN 65 Cb -0.08 -2.16 -0.08 0.00 -1.09 0.00 0.00 33.01 29.61 2iz3 s GLN 65 CO 0.01 0.40 0.92 -0.98 -1.32 0.00 0.00 175.29 174.31 2iz3 s ARG 66 N -0.20 4.78 -0.07 9.60 1.70 -1.26 -3.15 118.95 130.36 2iz3 s ARG 66 Ca -0.03 1.43 0.04 0.00 -0.47 0.00 0.00 55.73 56.70 2iz3 s ARG 66 Cb -0.13 -3.30 -0.02 0.00 -0.57 0.00 0.00 34.95 30.93 2iz3 s ARG 66 CO 0.03 0.46 -0.18 0.42 -1.08 0.00 0.00 175.30 174.96 2iz3 s ILE 67 N -0.93 2.70 -0.34 4.99 -1.09 0.11 -4.93 121.20 121.71 2iz3 s ILE 67 Ca 0.41 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.83 2iz3 s ILE 67 Cb -0.25 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 2iz3 s ILE 67 CO 0.31 0.57 0.44 0.12 -1.23 0.00 0.00 174.94 175.14 2iz3 s PHE 68 N -0.26 3.20 -0.34 3.97 5.36 -1.26 -2.37 117.98 126.28 2iz3 s PHE 68 Ca 0.01 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 2iz3 s PHE 68 Cb -0.13 -2.79 0.08 0.00 -0.34 0.00 0.00 43.02 39.84 2iz3 s PHE 68 CO 0.03 -0.47 0.06 0.15 -1.46 0.00 0.00 175.22 173.53 2iz3 s LYS 69 N 2.21 2.03 0.14 10.12 3.01 -1.09 -4.99 119.74 131.18 2iz3 s LYS 69 Ca 0.16 -1.60 -0.14 0.00 -1.01 0.00 0.00 55.97 53.37 2iz3 s LYS 69 Cb -0.16 -3.26 0.01 0.00 -1.01 0.00 0.00 37.83 33.41 2iz3 s LYS 69 CO 0.12 -0.83 1.64 0.87 0.51 0.00 0.00 175.35 177.67 2iz3 h LYS 70 N 7.88 0.74 -0.40 1.68 1.57 -1.97 0.32 116.57 126.39 2iz3 h LYS 70 Ca -0.14 -0.18 0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2iz3 h LYS 70 Cb 1.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2iz3 h LYS 70 CO 0.57 0.74 0.31 0.93 -0.57 0.00 0.00 179.45 181.42 2iz3 h GLU 71 N 0.61 0.00 -0.12 3.15 5.08 -1.97 -0.00 114.58 121.33 2iz3 h GLU 71 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2iz3 h GLU 71 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2iz3 h GLU 71 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 2iz3 n ASP 72 N -4.25 2.23 -4.09 1.42 8.00 -1.10 -5.01 116.55 113.74 2iz3 n ASP 72 Ca 0.07 -1.63 -0.44 0.00 0.71 0.00 0.00 54.79 53.50 2iz3 n ASP 72 Cb 0.50 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 2iz3 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iz3 s LYS 74 N -7.37 1.33 -0.03 0.00 -2.85 -1.08 -4.41 119.74 105.33 2iz3 s LYS 74 Ca 0.43 -0.60 0.03 0.00 -1.00 0.00 0.00 55.97 54.83 2iz3 s LYS 74 Cb -0.24 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2iz3 s LYS 74 CO 0.93 -0.59 -0.10 0.71 0.10 0.00 0.00 175.35 176.40 2iz3 s TYR 75 N -3.64 2.82 -0.02 1.78 2.02 -1.26 -2.66 117.35 116.39 2iz3 s TYR 75 Ca 0.06 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 2iz3 s TYR 75 Cb -0.02 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2iz3 s TYR 75 CO -0.05 0.30 -0.07 0.96 -1.57 0.00 0.00 175.55 175.12 2iz3 s ILE 76 N -0.87 0.62 -0.16 2.71 -4.36 -1.00 -4.89 121.20 113.26 2iz3 s ILE 76 Ca 0.14 -0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 60.26 2iz3 s ILE 76 Cb -0.11 -0.57 -0.01 0.00 1.25 0.00 0.00 42.46 43.02 2iz3 s ILE 76 CO 0.04 0.21 -0.12 0.68 0.24 0.00 0.00 174.94 175.99 2iz3 s VAL 77 N 0.29 3.01 0.13 8.37 -7.23 -1.26 0.08 120.40 123.79 2iz3 s VAL 77 Ca -0.04 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2iz3 s VAL 77 Cb -0.08 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2iz3 s VAL 77 CO 0.00 0.50 -0.09 0.68 -0.31 0.00 0.00 175.10 175.88 2iz3 s VAL 78 N 0.76 1.02 0.67 1.32 -7.23 -1.19 0.11 120.40 115.86 2iz3 s VAL 78 Ca -0.05 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 57.92 2iz3 s VAL 78 Cb -0.15 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.98 2iz3 s VAL 78 CO 0.01 -0.78 1.28 -1.61 -0.31 0.00 0.00 175.10 173.69 2iz3 s GLU 79 N -3.78 2.45 0.06 4.82 0.41 -1.20 -2.41 118.70 119.05 2iz3 s GLU 79 Ca 0.15 2.00 -0.15 0.00 -0.41 0.00 0.00 54.97 56.57 2iz3 s GLU 79 Cb 0.03 -1.84 -0.23 0.00 -1.78 0.00 0.00 34.13 30.31 2iz3 s GLU 79 CO -0.01 -1.66 1.17 0.87 -0.49 0.00 0.00 175.26 175.15 2iz3 h LYS 80 N 0.36 0.65 -0.81 1.61 1.57 -1.58 -3.00 116.57 115.36 2iz3 h LYS 80 Ca -0.50 -0.69 -0.02 0.00 -1.87 0.00 0.00 60.65 57.57 2iz3 h LYS 80 Cb 1.33 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.79 2iz3 h LYS 80 CO 0.52 1.28 0.42 -0.22 -0.57 0.00 0.00 179.45 180.88 2iz3 h LYS 81 N 0.29 1.14 -3.03 3.15 3.64 -1.92 -3.39 116.57 116.45 2iz3 h LYS 81 Ca -0.12 -0.15 -0.54 0.00 -1.27 0.00 0.00 60.65 58.58 2iz3 h LYS 81 Cb 1.60 -0.22 -0.40 0.00 -0.41 0.00 0.00 32.23 32.80 2iz3 h LYS 81 CO 0.18 0.86 -0.77 -0.51 -2.27 0.00 0.00 179.45 176.94 2iz3 s ASP 82 N -6.17 3.51 0.08 4.20 1.01 -1.23 -5.00 116.67 113.07 2iz3 s ASP 82 Ca -0.13 -1.28 0.21 0.00 0.71 0.00 0.00 52.55 52.06 2iz3 s ASP 82 Cb 0.16 -0.47 0.85 0.00 1.01 0.00 0.00 42.92 44.46 2iz3 s ASP 82 CO 0.82 -0.42 1.65 -0.81 0.21 0.00 0.00 175.17 176.62 2iz3 n PRO 83 N 5.15 0.07 -0.24 8.23 -0.04 -1.14 -3.23 135.00 143.81 2iz3 n PRO 83 Ca -0.05 0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2iz3 n PRO 83 Cb 0.43 -1.62 0.04 0.00 -0.04 0.00 0.00 33.50 32.31 2iz3 n PRO 83 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2iz3 h LYS 84 N 0.00 1.06 -6.44 0.54 1.57 -1.95 -3.43 116.57 107.93 2iz3 h LYS 84 Ca 0.00 -0.25 -0.54 0.00 -1.87 0.00 0.00 60.65 57.99 2iz3 h LYS 84 Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2iz3 h LYS 84 CO 0.00 0.94 0.10 0.21 -0.57 0.00 0.00 179.45 180.12 2iz3 s LYS 85 N -5.35 4.39 0.77 3.15 2.20 -1.20 -5.07 119.74 118.64 2iz3 s LYS 85 Ca -0.12 0.97 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 2iz3 s LYS 85 Cb 0.14 -3.18 0.06 0.00 -1.51 0.00 0.00 37.83 33.33 2iz3 s LYS 85 CO 0.83 0.56 1.14 0.95 -0.36 0.00 0.00 175.35 178.48 2iz3 s THR 86 N -1.20 2.65 -0.10 3.43 -4.23 -1.26 -3.25 115.64 111.68 2iz3 s THR 86 Ca 0.35 0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2iz3 s THR 86 Cb -0.21 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 2iz3 s THR 86 CO 0.23 -0.28 -0.08 0.00 -0.54 0.00 0.00 174.62 173.95 2iz3 s SER 88 N -0.31 6.57 -0.03 0.00 0.01 -1.26 -4.81 113.70 113.86 2iz3 s SER 88 Ca 0.04 2.84 0.03 0.00 1.31 0.00 0.00 55.95 60.16 2iz3 s SER 88 Cb -0.13 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2iz3 s SER 88 CO 0.02 -0.72 -0.10 -0.69 0.41 0.00 0.00 173.24 172.17 2iz3 s VAL 89 N -0.84 0.90 0.18 3.43 1.01 -1.26 -4.49 120.40 119.32 2iz3 s VAL 89 Ca 0.53 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2iz3 s VAL 89 Cb -0.43 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.22 2iz3 s VAL 89 CO 0.54 0.28 1.65 -1.28 0.00 0.00 0.00 175.10 176.29 2iz3 h SER 90 N 6.43 1.07 -5.55 3.32 0.87 -1.38 -3.48 113.55 114.82 2iz3 h SER 90 Ca -0.33 -0.30 0.24 0.00 -1.23 0.00 0.00 61.79 60.16 2iz3 h SER 90 Cb 1.17 -0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 2iz3 h SER 90 CO 0.48 1.11 0.67 -1.83 -0.53 0.00 0.00 176.83 176.73 2iz3 s GLU 91 N -5.05 0.91 0.06 2.24 -1.05 -1.10 -5.05 118.70 109.67 2iz3 s GLU 91 Ca -0.12 -0.55 0.07 0.00 -0.15 0.00 0.00 54.97 54.22 2iz3 s GLU 91 Cb 0.14 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2iz3 s GLU 91 CO 0.86 -0.42 -0.18 -1.58 0.95 0.00 0.00 175.26 174.88 2iz3 s TRP 92 N -2.46 1.60 -0.23 4.83 0.52 -1.26 -2.85 118.94 119.08 2iz3 s TRP 92 Ca 0.19 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 55.81 2iz3 s TRP 92 Cb -0.00 -0.92 -0.05 0.00 -1.15 0.00 0.00 33.47 31.35 2iz3 s TRP 92 CO 0.01 0.11 0.17 0.42 0.02 0.00 0.00 176.95 177.68 2iz3 s ILE 93 N -0.98 5.36 0.00 2.03 1.01 -1.02 -4.92 121.20 122.68 2iz3 s ILE 93 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2iz3 s ILE 93 Cb -0.09 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2iz3 s ILE 93 CO 0.02 0.36 0.00 0.00 0.00 0.00 0.00 174.94 175.32