#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iz3 s TYR 3 N -0.62 0.12 -0.21 0.00 1.13 -0.85 -5.04 117.35 111.89 2iz3 s TYR 3 Ca 0.09 -0.48 -0.03 0.00 -1.41 0.00 0.00 57.07 55.23 2iz3 s TYR 3 Cb -0.02 0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 2iz3 s TYR 3 CO -0.11 -0.81 -0.06 -0.06 -2.51 0.00 0.00 175.55 172.00 2iz3 s PHE 4 N -3.92 2.94 -0.14 -3.49 0.08 -1.26 -2.29 117.98 109.90 2iz3 s PHE 4 Ca 0.13 -0.94 -0.06 0.00 0.12 0.00 0.00 56.93 56.18 2iz3 s PHE 4 Cb 0.01 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 2iz3 s PHE 4 CO -0.02 -0.52 0.05 0.42 -0.10 0.00 0.00 175.22 175.05 2iz3 s ILE 5 N 1.35 4.71 0.58 0.64 1.01 0.42 -5.02 121.20 124.89 2iz3 s ILE 5 Ca 0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2iz3 s ILE 5 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2iz3 s ILE 5 CO -0.03 0.53 1.05 -2.16 0.00 0.00 0.00 174.94 174.32 2iz3 s PRO 6 N -0.20 3.43 0.22 2.79 0.04 -1.26 -1.00 135.00 139.02 2iz3 s PRO 6 Ca 0.07 1.17 0.20 0.00 0.04 0.00 0.00 61.00 62.48 2iz3 s PRO 6 Cb -0.12 -2.05 0.91 0.00 0.04 0.00 0.00 34.50 33.28 2iz3 s PRO 6 CO 0.01 -0.72 1.62 0.27 0.04 0.00 0.00 177.00 178.23 2iz3 n ASN 7 N -1.93 0.51 0.19 6.66 0.23 -1.26 -2.12 115.26 117.53 2iz3 n ASN 7 Ca 0.08 0.65 0.07 0.00 -0.53 0.00 0.00 54.58 54.85 2iz3 n ASN 7 Cb 0.53 -0.75 0.58 0.00 -2.08 0.00 0.00 39.78 38.06 2iz3 n ASN 7 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2iz3 h GLU 8 N 0.00 0.15 0.00 -3.83 4.81 -1.91 -3.39 114.58 110.41 2iz3 h GLU 8 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2iz3 h GLU 8 Cb 0.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2iz3 h GLU 8 CO 0.00 0.11 0.00 0.41 -0.73 0.00 0.00 179.01 178.80 2iz3 n GLY 9 N -1.50 -1.31 3.08 1.92 0.00 -0.90 -4.06 105.19 102.42 2iz3 n GLY 9 Ca -0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 2iz3 n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iz3 s VAL 10 N -2.94 0.26 -0.90 1.61 -7.23 -1.25 -4.09 120.40 105.86 2iz3 s VAL 10 Ca 0.00 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 2iz3 s VAL 10 Cb 0.00 -1.37 -0.29 0.00 0.56 0.00 0.00 36.38 35.28 2iz3 s VAL 10 CO 0.00 -0.92 2.08 -2.65 -0.31 0.00 0.00 175.10 173.30 2iz3 n PRO 11 N 0.30 0.05 0.00 4.82 -0.02 -1.26 -0.46 135.00 138.43 2iz3 n PRO 11 Ca -0.15 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2iz3 n PRO 11 Cb 0.60 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2iz3 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iz3 n GLY 12 N 5.55 0.64 3.63 -1.23 0.00 -1.26 -5.13 105.19 107.38 2iz3 n GLY 12 Ca 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 2iz3 n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iz3 s ASP 13 N -1.26 -0.24 0.00 1.61 2.15 0.39 -5.06 116.67 114.25 2iz3 s ASP 13 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2iz3 s ASP 13 Cb 0.00 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 2iz3 s ASP 13 CO 0.00 -0.69 0.71 -1.20 -0.17 0.00 0.00 175.17 173.82 2iz3 n SER 14 N -0.35 -0.45 -0.96 -0.34 7.64 -1.26 -3.85 113.62 114.05 2iz3 n SER 14 Ca -0.07 -1.43 0.12 0.00 1.01 0.00 0.00 58.87 58.50 2iz3 n SER 14 Cb 0.61 0.13 0.10 0.00 -1.01 0.00 0.00 64.21 64.05 2iz3 n SER 14 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2iz3 n THR 15 N 0.00 0.00 -0.48 0.44 -2.24 -1.26 -4.95 114.28 105.79 2iz3 n THR 15 Ca -0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2iz3 n THR 15 Cb 0.58 1.50 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 2iz3 n THR 15 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2iz3 n ARG 16 N 1.34 0.00 -0.54 -0.78 1.74 -1.26 -4.73 116.66 112.44 2iz3 n ARG 16 Ca 0.14 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 2iz3 n ARG 16 Cb 0.60 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.03 2iz3 n ARG 16 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2iz3 n LYS 17 N 14.00 -1.64 -3.77 5.56 5.02 -1.26 -2.77 118.16 133.30 2iz3 n LYS 17 Ca 0.00 0.14 -0.27 0.00 -2.02 0.00 0.00 58.31 56.15 2iz3 n LYS 17 Cb 0.00 -3.46 0.01 0.00 -0.02 0.00 0.00 35.03 31.56 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 -5.76 2.87 0.81 0.00 0.00 -1.11 -4.17 119.30 111.93 2iz3 s MET 19 Ca 0.22 -0.62 -0.10 0.00 0.00 0.00 0.00 55.69 55.19 2iz3 s MET 19 Cb -0.12 -2.73 0.11 0.00 0.00 0.00 0.00 34.83 32.09 2iz3 s MET 19 CO 0.66 0.61 1.15 0.16 0.00 0.00 0.00 175.02 177.59 2iz3 s ASP 20 N -1.90 4.24 0.55 1.11 1.47 -1.23 -4.96 116.67 115.95 2iz3 s ASP 20 Ca 0.24 0.46 0.32 0.00 1.18 0.00 0.00 52.55 54.74 2iz3 s ASP 20 Cb -0.12 -0.88 1.58 0.00 -0.34 0.00 0.00 42.92 43.16 2iz3 s ASP 20 CO 0.15 -2.01 2.09 -0.07 0.68 0.00 0.00 175.17 176.01 2iz3 h LEU 21 N -1.02 0.00 -0.59 2.11 4.07 -1.95 -2.63 115.31 115.30 2iz3 h LEU 21 Ca -0.44 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.44 2iz3 h LEU 21 Cb 1.30 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 2iz3 h LEU 21 CO 0.55 0.08 0.06 0.11 -1.08 0.00 0.00 178.44 178.16 2iz3 h LYS 22 N 0.00 1.00 0.00 1.13 6.56 -1.96 -3.46 116.57 119.84 2iz3 h LYS 22 Ca -0.00 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2iz3 h LYS 22 Cb 0.34 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2iz3 h LYS 22 CO 0.01 0.97 0.00 0.41 -2.06 0.00 0.00 179.45 178.78 2iz3 n GLY 23 N -0.49 1.41 3.70 3.86 0.00 -0.99 -5.10 105.19 107.58 2iz3 n GLY 23 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2iz3 n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iz3 s ASN 24 N -2.00 6.71 0.53 1.61 0.02 -1.26 -4.95 114.94 115.60 2iz3 s ASN 24 Ca 0.00 0.85 -0.20 0.00 -1.02 0.00 0.00 52.86 52.49 2iz3 s ASN 24 Cb 0.00 -2.32 -0.06 0.00 0.02 0.00 0.00 41.25 38.89 2iz3 s ASN 24 CO 0.00 -0.10 1.13 -0.75 0.02 0.00 0.00 177.10 177.40 2iz3 s LYS 25 N 1.08 3.41 -0.39 -0.60 2.20 -1.26 -3.52 119.74 120.66 2iz3 s LYS 25 Ca 0.28 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.52 2iz3 s LYS 25 Cb -0.16 -2.05 0.13 0.00 -1.51 0.00 0.00 37.83 34.24 2iz3 s LYS 25 CO 0.11 -0.80 0.19 -1.01 -0.36 0.00 0.00 175.35 173.48 2iz3 s HIS 26 N -1.76 1.68 0.81 4.03 3.76 -1.26 -5.00 115.29 117.54 2iz3 s HIS 26 Ca 0.72 -2.09 -0.12 0.00 -0.15 0.00 0.00 55.06 53.42 2iz3 s HIS 26 Cb -0.24 -1.67 0.19 0.00 1.11 0.00 0.00 32.58 31.97 2iz3 s HIS 26 CO 0.27 -0.82 0.43 -2.30 -0.85 0.00 0.00 174.74 171.48 2iz3 n PRO 27 N 4.00 -2.52 -2.46 8.40 -0.02 -1.26 -4.73 135.00 136.41 2iz3 n PRO 27 Ca 0.06 -0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 60.45 2iz3 n PRO 27 Cb 0.37 -1.09 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.61 3.54 0.00 4.25 -1.09 -1.26 -2.76 121.20 122.28 2iz3 s ILE 28 Ca 0.33 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 2iz3 s ILE 28 Cb -0.06 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2iz3 s ILE 28 CO 0.28 -0.02 0.00 -3.20 -1.23 0.00 0.00 174.94 170.77 2iz3 n ASN 29 N -0.27 0.00 -4.85 3.58 2.85 -1.07 -4.98 115.26 110.52 2iz3 n ASN 29 Ca 0.06 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.18 2iz3 n ASN 29 Cb 0.49 -0.98 -0.06 0.00 1.24 0.00 0.00 39.78 40.47 2iz3 n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2iz3 s SER 30 N -2.68 6.76 0.09 1.20 0.01 -1.11 -4.99 113.70 112.98 2iz3 s SER 30 Ca 0.00 0.99 0.08 0.00 1.31 0.00 0.00 55.95 58.34 2iz3 s SER 30 Cb 0.00 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2iz3 s SER 30 CO 0.00 0.10 -0.22 -1.61 0.41 0.00 0.00 173.24 171.92 2iz3 s GLU 31 N -2.03 1.27 0.03 12.44 2.02 -1.26 -3.18 118.70 127.99 2iz3 s GLU 31 Ca 0.38 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 2iz3 s GLU 31 Cb -0.14 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 2iz3 s GLU 31 CO 0.19 0.37 0.03 1.67 0.02 0.00 0.00 175.26 177.54 2iz3 s TRP 32 N -1.02 0.26 0.00 1.61 -2.14 -0.86 -5.04 118.94 111.75 2iz3 s TRP 32 Ca 0.08 -0.56 -0.19 0.00 2.66 0.00 0.00 56.10 58.08 2iz3 s TRP 32 Cb -0.10 -0.19 -0.06 0.00 -3.10 0.00 0.00 33.47 30.03 2iz3 s TRP 32 CO 0.04 -0.28 0.56 -1.14 -2.66 0.00 0.00 176.95 173.46 2iz3 s GLN 33 N -2.20 4.25 0.06 3.25 0.74 -1.26 -1.84 119.66 122.66 2iz3 s GLN 33 Ca -0.09 0.67 -0.05 0.00 0.05 0.00 0.00 55.36 55.94 2iz3 s GLN 33 Cb -0.04 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 2iz3 s GLN 33 CO -0.03 0.44 0.10 -0.08 -0.55 0.00 0.00 175.29 175.17 2iz3 s THR 34 N -0.42 0.16 0.20 -0.34 -1.32 0.19 -4.94 115.64 109.17 2iz3 s THR 34 Ca 0.29 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 2iz3 s THR 34 Cb -0.18 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 2iz3 s THR 34 CO 0.16 -0.74 0.00 0.47 -2.21 0.00 0.00 174.62 172.30 2iz3 n ASP 35 N 0.23 -3.61 -4.57 8.08 8.00 -1.26 -2.04 116.55 121.37 2iz3 n ASP 35 Ca -0.16 0.41 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 2iz3 n ASP 35 Cb 0.61 -2.77 -0.03 0.00 -0.02 0.00 0.00 41.12 38.91 2iz3 n ASP 35 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2iz3 s ASN 36 N -4.63 5.18 -1.10 -2.24 0.01 -1.26 -3.08 114.94 107.82 2iz3 s ASN 36 Ca 0.00 1.22 -0.11 0.00 -0.71 0.00 0.00 52.86 53.26 2iz3 s ASN 36 Cb 0.00 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2iz3 s ASN 36 CO 0.00 -2.28 0.86 0.00 -1.51 0.00 0.00 177.10 174.17 2iz3 s GLU 38 N -5.10 0.26 -0.05 0.00 0.41 -0.86 -2.99 118.70 110.36 2iz3 s GLU 38 Ca 0.43 0.29 0.01 0.00 -0.41 0.00 0.00 54.97 55.29 2iz3 s GLU 38 Cb -0.10 0.13 0.02 0.00 -1.78 0.00 0.00 34.13 32.40 2iz3 s GLU 38 CO 0.79 -0.03 -0.07 0.99 -0.49 0.00 0.00 175.26 176.45 2iz3 s THR 39 N 0.08 0.68 0.27 3.63 2.01 -0.89 0.55 115.64 121.98 2iz3 s THR 39 Ca -0.00 -0.22 0.10 0.00 0.31 0.00 0.00 61.69 61.87 2iz3 s THR 39 Cb -0.02 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2iz3 s THR 39 CO 0.00 0.25 -0.03 0.00 -0.69 0.00 0.00 174.62 174.15 2iz3 s THR 41 N -2.37 0.68 -0.19 0.00 2.01 -0.76 -2.03 115.64 113.00 2iz3 s THR 41 Ca 0.31 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2iz3 s THR 41 Cb -0.06 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 2iz3 s THR 41 CO 0.19 -0.04 0.07 0.00 -0.69 0.00 0.00 174.62 174.15 2iz3 n TYR 43 N 3.55 0.34 -0.14 0.00 4.02 0.12 -2.60 117.16 122.46 2iz3 n TYR 43 Ca -0.16 -2.11 -0.07 0.00 -0.01 0.00 0.00 57.90 55.54 2iz3 n TYR 43 Cb 0.52 -0.33 -0.01 0.00 -0.02 0.00 0.00 39.34 39.50 2iz3 n TYR 43 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2iz3 h GLU 44 N 0.00 -0.23 -0.10 -0.72 4.39 -1.98 -3.32 114.58 112.62 2iz3 h GLU 44 Ca -0.34 0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.19 2iz3 h GLU 44 Cb 1.11 0.05 -0.36 0.00 -0.10 0.00 0.00 28.75 29.45 2iz3 h GLU 44 CO 0.56 -0.15 -0.96 0.25 -1.16 0.00 0.00 179.01 177.54 2iz3 n THR 45 N -5.42 0.30 -3.51 1.13 -2.24 -1.26 -5.10 114.28 98.18 2iz3 n THR 45 Ca 0.02 -1.36 -0.11 0.00 -2.27 0.00 0.00 64.05 60.33 2iz3 n THR 45 Cb 0.34 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2iz3 n THR 45 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2iz3 s GLU 46 N -0.89 1.26 -0.08 -0.78 2.02 -1.25 -4.10 118.70 114.88 2iz3 s GLU 46 Ca 0.28 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.72 2iz3 s GLU 46 Cb 0.34 0.56 0.02 0.00 0.10 0.00 0.00 34.13 35.14 2iz3 s GLU 46 CO -0.12 -0.54 -0.12 0.42 0.02 0.00 0.00 175.26 174.92 2iz3 s ILE 47 N -3.78 1.18 -0.16 -1.63 1.01 -0.17 -0.71 121.20 116.94 2iz3 s ILE 47 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2iz3 s ILE 47 Cb -0.01 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2iz3 s ILE 47 CO -0.11 0.37 -0.16 -0.44 0.00 0.00 0.00 174.94 174.60 2iz3 s SER 48 N 0.91 3.57 -0.08 3.58 0.01 -1.11 -0.44 113.70 120.15 2iz3 s SER 48 Ca -0.10 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.69 2iz3 s SER 48 Cb -0.15 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.54 2iz3 s SER 48 CO 0.01 0.07 -0.17 0.00 0.41 0.00 0.00 173.24 173.56 2iz3 n THR 51 N 2.60 0.00 0.00 0.00 5.66 -1.22 -2.09 114.28 119.24 2iz3 n THR 51 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2iz3 n THR 51 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2iz3 n THR 51 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2iz3 n LEU 52 N 0.00 0.00 -4.92 1.09 4.77 -1.16 -4.01 117.00 112.77 2iz3 n LEU 52 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 2iz3 n LEU 52 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2iz3 n LEU 52 CO 0.00 0.00 0.41 0.68 -1.33 0.00 0.00 177.39 177.15 2iz3 s VAL 53 N -0.99 4.71 0.31 4.08 -7.23 -1.26 -4.90 120.40 115.13 2iz3 s VAL 53 Ca 0.00 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.23 2iz3 s VAL 53 Cb 0.00 -3.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 2iz3 s VAL 53 CO 0.00 -0.72 0.47 -0.94 -0.31 0.00 0.00 175.10 173.60 2iz3 s SER 54 N -4.13 6.22 -0.16 4.85 1.04 -1.26 -4.91 113.70 115.34 2iz3 s SER 54 Ca 0.47 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 57.04 2iz3 s SER 54 Cb -0.10 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 2iz3 s SER 54 CO 0.43 -0.26 0.02 -0.89 0.98 0.00 0.00 173.24 173.53 2iz3 s THR 55 N -2.18 4.43 -0.04 2.02 2.01 -0.92 -4.14 115.64 116.82 2iz3 s THR 55 Ca 0.39 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2iz3 s THR 55 Cb -0.09 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2iz3 s THR 55 CO 0.33 0.49 1.01 -2.16 -0.69 0.00 0.00 174.62 173.60 2iz3 s PRO 56 N 0.23 4.49 -0.03 4.92 0.04 -1.26 -2.28 135.00 141.11 2iz3 s PRO 56 Ca 0.01 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 2iz3 s PRO 56 Cb -0.13 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.93 2iz3 s PRO 56 CO 0.01 -0.18 0.15 0.54 0.04 0.00 0.00 177.00 177.56 2iz3 s VAL 57 N 1.46 0.04 0.00 -0.36 0.11 -1.07 -4.88 120.40 115.69 2iz3 s VAL 57 Ca 0.51 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2iz3 s VAL 57 Cb -0.21 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2iz3 s VAL 57 CO 0.24 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 2iz3 n GLY 58 N 2.33 0.95 3.20 6.54 0.00 -1.26 -2.57 105.19 114.38 2iz3 n GLY 58 Ca -0.17 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.26 1.06 -0.78 1.61 1.13 -1.26 -2.52 117.35 114.34 2iz3 s TYR 59 Ca 0.00 -1.07 -0.25 0.00 -1.41 0.00 0.00 57.07 54.34 2iz3 s TYR 59 Cb 0.00 -0.61 -0.03 0.00 -1.10 0.00 0.00 41.96 40.22 2iz3 s TYR 59 CO 0.00 -0.30 1.85 -0.51 -2.51 0.00 0.00 175.55 174.09 2iz3 s ASP 60 N -3.12 5.32 0.26 -0.18 1.01 -1.26 -4.80 116.67 113.90 2iz3 s ASP 60 Ca 0.22 -0.29 -0.03 0.00 0.71 0.00 0.00 52.55 53.17 2iz3 s ASP 60 Cb 0.06 -2.55 0.33 0.00 1.01 0.00 0.00 42.92 41.78 2iz3 s ASP 60 CO 0.02 -2.48 1.80 0.11 0.21 0.00 0.00 175.17 174.83 2iz3 h LYS 61 N 12.68 0.90 -0.33 8.23 1.57 -1.99 0.12 116.57 137.75 2iz3 h LYS 61 Ca -0.06 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 2iz3 h LYS 61 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2iz3 h LYS 61 CO 1.23 0.81 -0.25 -0.44 -0.57 0.00 0.00 179.45 180.23 2iz3 h ASP 62 N 0.86 0.78 1.30 0.86 3.32 -2.02 -3.21 116.42 118.31 2iz3 h ASP 62 Ca 0.18 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2iz3 h ASP 62 Cb 0.32 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2iz3 h ASP 62 CO 0.00 1.06 -0.48 0.78 -1.72 0.00 0.00 179.24 178.88 2iz3 h ASN 63 N 0.51 0.00 -4.28 6.45 2.35 -1.94 -3.46 115.58 115.21 2iz3 h ASN 63 Ca 0.06 -0.06 -0.54 0.00 -0.55 0.00 0.00 56.30 55.22 2iz3 h ASN 63 Cb 0.81 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.93 2iz3 h ASN 63 CO 0.07 0.03 -0.82 0.00 -1.65 0.00 0.00 177.43 175.05 2iz3 s GLN 65 N -1.37 1.98 0.03 0.00 -2.07 -0.52 -4.36 119.66 113.35 2iz3 s GLN 65 Ca 0.05 -1.00 -0.29 0.00 -1.82 0.00 0.00 55.36 52.31 2iz3 s GLN 65 Cb -0.09 -2.01 -0.04 0.00 -1.09 0.00 0.00 33.01 29.78 2iz3 s GLN 65 CO 0.02 0.54 0.92 1.03 -1.32 0.00 0.00 175.29 176.48 2iz3 s ARG 66 N -0.86 4.58 -0.12 9.60 3.00 -1.26 -2.54 118.95 131.34 2iz3 s ARG 66 Ca 0.11 1.33 0.00 0.00 0.00 0.00 0.00 55.73 57.17 2iz3 s ARG 66 Cb -0.10 -3.42 -0.01 0.00 0.00 0.00 0.00 34.95 31.41 2iz3 s ARG 66 CO 0.00 0.07 -0.14 0.42 0.00 0.00 0.00 175.30 175.66 2iz3 s ILE 67 N 0.58 2.97 -0.27 1.52 -1.09 0.10 -4.95 121.20 120.06 2iz3 s ILE 67 Ca 0.47 -0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 58.00 2iz3 s ILE 67 Cb -0.21 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.42 2iz3 s ILE 67 CO 0.27 0.53 0.58 0.12 -1.23 0.00 0.00 174.94 175.21 2iz3 s PHE 68 N 0.27 3.26 -0.16 3.97 5.36 -1.26 -2.31 117.98 127.11 2iz3 s PHE 68 Ca -0.10 0.69 -0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2iz3 s PHE 68 Cb -0.16 -2.82 -0.00 0.00 -0.34 0.00 0.00 43.02 39.70 2iz3 s PHE 68 CO 0.06 -0.34 -0.14 0.15 -1.46 0.00 0.00 175.22 173.49 2iz3 s LYS 69 N 2.44 3.25 -0.09 10.12 3.01 -1.02 -5.02 119.74 132.43 2iz3 s LYS 69 Ca 0.24 -0.73 -0.22 0.00 -1.01 0.00 0.00 55.97 54.26 2iz3 s LYS 69 Cb -0.15 -2.68 -0.28 0.00 -1.01 0.00 0.00 37.83 33.70 2iz3 s LYS 69 CO 0.09 0.00 0.74 0.87 0.51 0.00 0.00 175.35 177.56 2iz3 h LYS 70 N 7.37 0.21 0.00 1.68 1.57 -1.96 -1.39 116.57 124.04 2iz3 h LYS 70 Ca -0.34 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2iz3 h LYS 70 Cb 1.19 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2iz3 h LYS 70 CO 0.58 1.17 0.41 0.93 -0.57 0.00 0.00 179.45 181.97 2iz3 h GLU 71 N -0.52 0.00 0.00 3.15 5.08 -1.98 0.51 114.58 120.82 2iz3 h GLU 71 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2iz3 h GLU 71 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2iz3 h GLU 71 CO 0.07 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.83 2iz3 n ASP 72 N -2.82 0.85 -3.63 1.42 8.00 -1.25 -5.05 116.55 114.07 2iz3 n ASP 72 Ca -0.02 -1.35 -0.24 0.00 0.71 0.00 0.00 54.79 53.90 2iz3 n ASP 72 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 -5.01 1.34 -0.15 0.00 -2.85 -0.94 -4.13 119.74 107.99 2iz3 s LYS 74 Ca 0.11 -0.71 -0.03 0.00 -1.00 0.00 0.00 55.97 54.34 2iz3 s LYS 74 Cb -0.06 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2iz3 s LYS 74 CO 0.68 -0.57 -0.07 0.71 0.10 0.00 0.00 175.35 176.20 2iz3 s TYR 75 N -3.82 2.96 0.03 1.78 2.02 -1.26 -2.45 117.35 116.61 2iz3 s TYR 75 Ca 0.05 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 2iz3 s TYR 75 Cb -0.01 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2iz3 s TYR 75 CO -0.07 -0.11 -0.21 0.96 -1.57 0.00 0.00 175.55 174.55 2iz3 s ILE 76 N 0.40 1.70 -0.13 2.71 -4.36 -0.98 -4.83 121.20 115.72 2iz3 s ILE 76 Ca -0.06 -1.15 -0.02 0.00 -0.26 0.00 0.00 60.65 59.17 2iz3 s ILE 76 Cb -0.15 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 2iz3 s ILE 76 CO 0.04 0.28 -0.07 0.68 0.24 0.00 0.00 174.94 176.11 2iz3 s VAL 77 N -0.73 3.66 0.06 8.37 -7.23 -1.26 0.02 120.40 123.29 2iz3 s VAL 77 Ca 0.08 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2iz3 s VAL 77 Cb -0.09 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2iz3 s VAL 77 CO 0.01 0.53 -0.07 0.54 -0.31 0.00 0.00 175.10 175.80 2iz3 s VAL 78 N 0.05 0.53 0.57 1.32 0.11 -1.05 -1.56 120.40 120.37 2iz3 s VAL 78 Ca -0.01 -1.39 -0.19 0.00 -2.93 0.00 0.00 61.98 57.46 2iz3 s VAL 78 Cb -0.14 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2iz3 s VAL 78 CO 0.03 -0.59 1.15 -0.70 -3.33 0.00 0.00 175.10 171.66 2iz3 s GLU 79 N -2.45 3.15 0.01 1.54 2.12 -1.24 -1.43 118.70 120.40 2iz3 s GLU 79 Ca -0.02 1.67 -0.16 0.00 0.36 0.00 0.00 54.97 56.81 2iz3 s GLU 79 Cb -0.04 -1.97 -0.35 0.00 0.26 0.00 0.00 34.13 32.03 2iz3 s GLU 79 CO -0.02 -1.02 0.96 0.87 -0.54 0.00 0.00 175.26 175.51 2iz3 h LYS 80 N 0.96 0.51 -0.81 4.30 1.57 -1.76 -3.26 116.57 118.08 2iz3 h LYS 80 Ca -0.50 -0.86 -0.04 0.00 -1.87 0.00 0.00 60.65 57.38 2iz3 h LYS 80 Cb 1.27 0.32 -0.04 0.00 0.08 0.00 0.00 32.23 33.87 2iz3 h LYS 80 CO 0.56 1.41 0.34 0.87 -0.57 0.00 0.00 179.45 182.06 2iz3 h LYS 81 N 0.07 1.19 -3.15 3.15 1.57 -1.93 -3.40 116.57 114.08 2iz3 h LYS 81 Ca -0.25 -0.21 -0.51 0.00 -1.87 0.00 0.00 60.65 57.81 2iz3 h LYS 81 Cb 2.10 -0.20 -0.40 0.00 0.08 0.00 0.00 32.23 33.81 2iz3 h LYS 81 CO 0.26 0.95 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.81 2iz3 s ASP 82 N -6.33 3.08 0.16 0.86 1.01 -1.25 -5.00 116.67 109.20 2iz3 s ASP 82 Ca -0.12 -1.01 0.25 0.00 0.71 0.00 0.00 52.55 52.37 2iz3 s ASP 82 Cb 0.16 -0.44 0.92 0.00 1.01 0.00 0.00 42.92 44.56 2iz3 s ASP 82 CO 0.84 -0.38 1.75 -0.81 0.21 0.00 0.00 175.17 176.78 2iz3 n PRO 83 N 5.16 0.16 -0.19 8.23 -0.04 -1.23 -3.38 135.00 143.71 2iz3 n PRO 83 Ca -0.06 0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2iz3 n PRO 83 Cb 0.45 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.93 -6.28 0.54 1.57 -1.95 -3.43 116.57 107.95 2iz3 h LYS 84 Ca 0.00 -0.27 -0.57 0.00 -1.87 0.00 0.00 60.65 57.94 2iz3 h LYS 84 Cb 0.53 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 2iz3 h LYS 84 CO 0.00 0.92 -0.00 0.15 -0.57 0.00 0.00 179.45 179.95 2iz3 s LYS 85 N -5.12 4.26 0.62 3.15 1.02 -1.22 -5.08 119.74 117.37 2iz3 s LYS 85 Ca -0.12 0.80 -0.07 0.00 0.02 0.00 0.00 55.97 56.60 2iz3 s LYS 85 Cb 0.12 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.21 2iz3 s LYS 85 CO 0.83 0.63 0.94 0.95 -0.92 0.00 0.00 175.35 177.78 2iz3 s THR 86 N -1.13 3.49 -0.07 2.17 -4.23 -1.26 -3.68 115.64 110.93 2iz3 s THR 86 Ca 0.30 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2iz3 s THR 86 Cb -0.20 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 2iz3 s THR 86 CO 0.20 -0.44 0.05 0.00 -0.54 0.00 0.00 174.62 173.89 2iz3 s SER 88 N -1.16 6.41 -0.01 0.00 1.04 -1.26 -4.80 113.70 113.91 2iz3 s SER 88 Ca 0.16 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.38 2iz3 s SER 88 Cb -0.12 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.48 2iz3 s SER 88 CO 0.06 -0.74 -0.00 -0.69 0.98 0.00 0.00 173.24 172.85 2iz3 s VAL 89 N -2.26 0.11 0.18 5.02 1.01 -1.26 -4.49 120.40 118.71 2iz3 s VAL 89 Ca 0.64 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 2iz3 s VAL 89 Cb -0.13 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.12 2iz3 s VAL 89 CO 0.25 0.08 1.60 -1.28 0.00 0.00 0.00 175.10 175.74 2iz3 h SER 90 N 6.65 0.96 -5.55 3.32 0.87 -1.40 -3.48 113.55 114.93 2iz3 h SER 90 Ca -0.34 -0.33 0.25 0.00 -1.23 0.00 0.00 61.79 60.13 2iz3 h SER 90 Cb 1.17 -0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.77 2iz3 h SER 90 CO 0.49 1.11 0.65 -1.83 -0.53 0.00 0.00 176.83 176.72 2iz3 s GLU 91 N -4.75 0.84 0.08 2.24 -1.05 -1.06 -5.05 118.70 109.94 2iz3 s GLU 91 Ca -0.11 -0.47 0.07 0.00 -0.15 0.00 0.00 54.97 54.31 2iz3 s GLU 91 Cb 0.13 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2iz3 s GLU 91 CO 0.86 -0.38 -0.19 -1.58 0.95 0.00 0.00 175.26 174.91 2iz3 s TRP 92 N -2.80 1.67 -0.22 4.83 0.52 -1.26 -2.60 118.94 119.08 2iz3 s TRP 92 Ca 0.14 -0.41 -0.06 0.00 0.02 0.00 0.00 56.10 55.79 2iz3 s TRP 92 Cb 0.01 -0.94 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 2iz3 s TRP 92 CO -0.00 0.15 0.03 0.42 0.02 0.00 0.00 176.95 177.57 2iz3 s ILE 93 N -1.07 4.14 0.00 2.03 1.01 -0.97 -4.91 121.20 121.43 2iz3 s ILE 93 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2iz3 s ILE 93 Cb -0.10 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2iz3 s ILE 93 CO 0.03 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.37