#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwl s LYS 3 N 0.00 3.05 -0.07 -0.52 1.02 -1.26 -2.04 119.74 119.93 3iwl s LYS 3 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.15 3iwl s LYS 3 Cb 0.00 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3iwl s LYS 3 CO 0.00 -0.34 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.02 3iwl s HIS 4 N 1.40 2.96 -0.08 3.18 3.76 0.31 -4.37 115.29 122.45 3iwl s HIS 4 Ca 0.02 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 3iwl s HIS 4 Cb -0.16 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 3iwl s HIS 4 CO -0.03 0.35 -0.11 -2.00 -0.85 0.00 0.00 174.74 172.09 3iwl s GLU 5 N -0.85 2.84 0.07 1.40 2.12 -0.08 -0.23 118.70 123.98 3iwl s GLU 5 Ca 0.13 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.89 3iwl s GLU 5 Cb -0.11 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 3iwl s GLU 5 CO 0.02 0.52 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.01 3iwl s PHE 6 N -0.45 1.67 -0.13 5.30 0.40 0.38 -0.37 117.98 124.78 3iwl s PHE 6 Ca 0.06 -0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 55.81 3iwl s PHE 6 Cb -0.12 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 3iwl s PHE 6 CO 0.02 0.14 0.48 0.45 0.70 0.00 0.00 175.22 177.01 3iwl s SER 7 N -1.58 6.66 -0.06 1.36 0.15 0.03 -1.08 113.70 119.18 3iwl s SER 7 Ca 0.05 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3iwl s SER 7 Cb -0.09 -2.29 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 3iwl s SER 7 CO 0.03 -0.03 -0.03 -0.69 1.20 0.00 0.00 173.24 173.72 3iwl s VAL 8 N 0.80 0.48 -1.29 4.45 1.01 -0.60 -1.30 120.40 123.95 3iwl s VAL 8 Ca 0.26 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 3iwl s VAL 8 Cb -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3iwl s VAL 8 CO 0.10 0.24 2.07 -0.67 0.00 0.00 0.00 175.10 176.83 3iwl n ASP 9 N 4.47 3.78 -4.75 3.32 2.03 -0.40 -4.44 116.55 120.56 3iwl n ASP 9 Ca -0.18 -2.82 -0.39 0.00 0.52 0.00 0.00 54.79 51.92 3iwl n ASP 9 Cb 0.50 -1.58 -0.06 0.00 -0.72 0.00 0.00 41.12 39.27 3iwl n ASP 9 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3iwl s MET 10 N 3.91 4.31 -0.16 -0.67 -1.94 -1.26 -4.66 119.30 118.82 3iwl s MET 10 Ca 0.51 0.66 -0.13 0.00 -1.71 0.00 0.00 55.69 55.03 3iwl s MET 10 Cb 0.11 -3.37 -0.07 0.00 2.01 0.00 0.00 34.83 33.52 3iwl s MET 10 CO -0.01 0.31 -0.13 2.41 -0.01 0.00 0.00 175.02 177.59 3iwl n THR 11 N 3.00 1.45 -2.95 2.05 -1.04 -1.26 -4.86 114.28 110.68 3iwl n THR 11 Ca -0.07 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3iwl n THR 11 Cb 0.51 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 3iwl n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iwl h GLY 13 N 0.00 1.14 1.80 0.00 0.00 -1.99 -0.87 103.07 103.15 3iwl h GLY 13 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3iwl h GLY 13 CO 0.00 -0.02 0.01 -1.33 0.00 0.00 0.00 176.54 175.21 3iwl h GLY 14 N 0.54 0.28 0.96 4.60 0.00 -1.98 0.04 103.07 107.50 3iwl h GLY 14 Ca 0.39 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.45 3iwl h GLY 14 CO -0.33 0.13 -0.39 0.00 0.00 0.00 0.00 176.54 175.94 3iwl h ALA 16 N 0.62 0.83 -0.95 0.00 0.00 -0.86 -1.87 119.26 117.04 3iwl h ALA 16 Ca 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iwl h ALA 16 Cb 0.98 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3iwl h ALA 16 CO 0.09 0.33 0.62 0.93 0.00 0.00 0.00 179.25 181.22 3iwl h GLU 17 N 0.88 1.20 -0.56 0.00 5.08 -0.95 -1.46 114.58 118.78 3iwl h GLU 17 Ca 0.23 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3iwl h GLU 17 Cb 0.01 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3iwl h GLU 17 CO -0.04 0.80 0.21 0.00 -1.00 0.00 0.00 179.01 178.97 3iwl h ALA 18 N 1.37 0.72 -0.39 3.43 0.00 -0.68 0.75 119.26 124.46 3iwl h ALA 18 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iwl h ALA 18 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3iwl h ALA 18 CO -0.10 0.35 0.25 0.28 0.00 0.00 0.00 179.25 180.04 3iwl h VAL 19 N 0.76 1.10 -0.77 0.00 2.07 -1.14 -1.97 116.25 116.30 3iwl h VAL 19 Ca 0.18 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3iwl h VAL 19 Cb 0.23 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3iwl h VAL 19 CO -0.01 0.10 0.47 -1.28 0.02 0.00 0.00 177.57 176.86 3iwl h SER 20 N 0.52 0.92 -0.35 0.57 0.87 -0.87 -2.13 113.55 113.09 3iwl h SER 20 Ca 0.14 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3iwl h SER 20 Cb -0.06 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 3iwl h SER 20 CO -0.03 0.71 0.19 0.03 -0.53 0.00 0.00 176.83 177.21 3iwl h ARG 21 N 1.06 0.48 -0.42 2.24 3.08 -0.53 0.81 114.38 121.11 3iwl h ARG 21 Ca 0.28 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 3iwl h ARG 21 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3iwl h ARG 21 CO -0.05 0.40 -0.12 -0.39 -1.07 0.00 0.00 179.97 178.74 3iwl h VAL 22 N 0.44 1.26 -0.30 2.04 -1.51 -1.19 -1.35 116.25 115.63 3iwl h VAL 22 Ca 0.12 -1.16 -0.18 0.00 -1.23 0.00 0.00 66.70 64.25 3iwl h VAL 22 Cb 0.05 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3iwl h VAL 22 CO -0.02 0.40 -0.50 -0.07 -1.23 0.00 0.00 177.57 176.14 3iwl h LEU 23 N 0.68 0.97 -0.82 4.19 3.38 -1.17 -1.86 115.31 120.67 3iwl h LEU 23 Ca 0.12 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3iwl h LEU 23 Cb 0.59 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3iwl h LEU 23 CO 0.04 1.30 0.53 0.78 0.09 0.00 0.00 178.44 181.18 3iwl h ASN 24 N 0.66 0.96 -0.61 -0.43 -0.26 -0.68 -1.40 115.58 113.82 3iwl h ASN 24 Ca 0.02 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.64 3iwl h ASN 24 Cb 1.11 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 38.11 3iwl h ASN 24 CO 0.11 0.71 0.06 0.50 -1.06 0.00 0.00 177.43 177.75 3iwl h LYS 25 N 1.12 1.03 -0.35 0.81 1.63 -1.14 -2.92 116.57 116.75 3iwl h LYS 25 Ca 0.30 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3iwl h LYS 25 Cb -0.11 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 3iwl h LYS 25 CO -0.06 0.99 0.23 1.25 -3.45 0.00 0.00 179.45 178.40 3iwl h LEU 26 N 0.93 0.40 -0.03 5.20 5.85 -1.06 -3.49 115.31 123.12 3iwl h LEU 26 Ca 0.18 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3iwl h LEU 26 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3iwl h LEU 26 CO 0.02 0.30 -0.06 0.61 -0.34 0.00 0.00 178.44 178.97 3iwl n GLY 27 N -1.18 -2.07 2.80 3.75 0.00 -0.55 -4.97 105.19 102.97 3iwl n GLY 27 Ca -0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.37 3iwl n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwl n GLY 28 N -2.55 -0.22 3.07 -0.02 0.00 -1.26 -5.00 105.19 99.20 3iwl n GLY 28 Ca -0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 3iwl n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iwl s VAL 29 N -3.08 0.81 -0.24 1.61 -7.23 -1.26 -4.41 120.40 106.59 3iwl s VAL 29 Ca 0.28 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 3iwl s VAL 29 Cb -0.12 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.12 3iwl s VAL 29 CO 0.35 0.01 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.29 3iwl s LYS 30 N -0.82 2.59 0.15 4.82 2.20 -0.27 -5.00 119.74 123.42 3iwl s LYS 30 Ca 0.00 -1.12 0.05 0.00 -0.36 0.00 0.00 55.97 54.54 3iwl s LYS 30 Cb -0.06 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 3iwl s LYS 30 CO 0.00 -0.45 -0.11 1.52 -0.36 0.00 0.00 175.35 175.96 3iwl s TYR 31 N 1.22 1.32 -0.02 4.03 -0.85 -1.26 -0.21 117.35 121.59 3iwl s TYR 31 Ca -0.03 -0.73 -0.02 0.00 -0.52 0.00 0.00 57.07 55.77 3iwl s TYR 31 Cb -0.18 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.51 3iwl s TYR 31 CO -0.06 0.12 0.05 0.16 -1.52 0.00 0.00 175.55 174.30 3iwl s ASP 32 N -3.18 -0.05 -0.19 -0.18 1.47 -0.27 -5.00 116.67 109.27 3iwl s ASP 32 Ca 0.17 0.10 -0.03 0.00 1.18 0.00 0.00 52.55 53.98 3iwl s ASP 32 Cb 0.02 0.11 -0.01 0.00 -0.34 0.00 0.00 42.92 42.70 3iwl s ASP 32 CO 0.01 -0.02 -0.07 -0.63 0.68 0.00 0.00 175.17 175.14 3iwl s ILE 33 N 0.01 3.30 -0.67 2.11 1.01 -1.26 -1.18 121.20 124.52 3iwl s ILE 33 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3iwl s ILE 33 Cb -0.00 -2.46 0.17 0.00 0.01 0.00 0.00 42.46 40.18 3iwl s ILE 33 CO 0.00 0.46 0.53 -0.62 0.00 0.00 0.00 174.94 175.31 3iwl s ASP 34 N 1.04 5.79 0.06 3.58 -1.08 0.24 -4.97 116.67 121.33 3iwl s ASP 34 Ca 0.00 -2.66 -0.23 0.00 -0.52 0.00 0.00 52.55 49.14 3iwl s ASP 34 Cb -0.15 -1.99 -0.16 0.00 -1.46 0.00 0.00 42.92 39.17 3iwl s ASP 34 CO -0.01 -0.48 1.60 0.25 0.52 0.00 0.00 175.17 177.06 3iwl h LEU 35 N 7.48 0.03 -0.97 -1.34 5.85 -1.97 -1.21 115.31 123.19 3iwl h LEU 35 Ca -0.01 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.73 3iwl h LEU 35 Cb 1.00 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 3iwl h LEU 35 CO 0.75 0.17 0.57 -0.65 -0.34 0.00 0.00 178.44 178.94 3iwl h PRO 36 N -0.11 0.75 -0.25 5.25 0.11 -1.94 -2.33 132.00 133.48 3iwl h PRO 36 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3iwl h PRO 36 Cb 0.15 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3iwl h PRO 36 CO -0.00 0.50 0.00 0.09 -0.21 0.00 0.00 178.00 178.38 3iwl n ASN 37 N -4.77 2.92 -3.63 -2.05 3.02 -1.14 -4.97 115.26 104.65 3iwl n ASN 37 Ca 0.21 -1.92 -0.21 0.00 -0.03 0.00 0.00 54.58 52.63 3iwl n ASN 37 Cb 0.50 -0.16 0.06 0.00 -0.61 0.00 0.00 39.78 39.57 3iwl n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3iwl n LYS 38 N 1.17 -6.02 -4.25 3.52 5.02 -0.53 -4.95 118.16 112.11 3iwl n LYS 38 Ca 0.18 0.72 -0.18 0.00 -2.02 0.00 0.00 58.31 57.01 3iwl n LYS 38 Cb 0.54 -5.55 -0.13 0.00 -0.02 0.00 0.00 35.03 29.87 3iwl n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iwl s LYS 39 N -5.91 0.82 -0.05 1.97 1.02 -0.76 -1.56 119.74 115.28 3iwl s LYS 39 Ca 0.18 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.39 3iwl s LYS 39 Cb -0.08 -0.80 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 3iwl s LYS 39 CO 0.78 0.19 -0.05 0.08 -0.92 0.00 0.00 175.35 175.43 3iwl s VAL 40 N -1.00 0.57 -0.12 3.17 1.01 -0.24 -0.59 120.40 123.19 3iwl s VAL 40 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3iwl s VAL 40 Cb -0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3iwl s VAL 40 CO 0.01 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.24 3iwl s ILE 42 N 0.10 0.69 -0.23 0.00 1.01 0.68 -1.11 121.20 122.35 3iwl s ILE 42 Ca -0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 3iwl s ILE 42 Cb -0.14 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 3iwl s ILE 42 CO 0.04 0.30 0.14 -0.70 0.00 0.00 0.00 174.94 174.73 3iwl s GLU 43 N 1.64 4.08 0.01 2.79 2.12 0.71 -0.53 118.70 129.53 3iwl s GLU 43 Ca 0.02 -0.27 -0.28 0.00 0.36 0.00 0.00 54.97 54.79 3iwl s GLU 43 Cb -0.13 -3.48 0.10 0.00 0.26 0.00 0.00 34.13 30.88 3iwl s GLU 43 CO -0.05 0.13 0.89 0.45 -0.54 0.00 0.00 175.26 176.14 3iwl s SER 44 N 0.85 -0.35 -0.04 -1.70 0.15 -0.86 -1.11 113.70 110.64 3iwl s SER 44 Ca 0.07 -0.03 0.21 0.00 0.70 0.00 0.00 55.95 56.90 3iwl s SER 44 Cb -0.13 0.39 0.66 0.00 -1.71 0.00 0.00 66.02 65.24 3iwl s SER 44 CO 0.03 -0.64 1.56 -0.62 1.20 0.00 0.00 173.24 174.76 3iwl n GLU 45 N -0.26 3.02 -2.12 5.44 -0.58 -1.26 -2.52 120.64 122.36 3iwl n GLU 45 Ca -0.09 -2.68 -0.34 0.00 -0.42 0.00 0.00 57.16 53.63 3iwl n GLU 45 Cb 0.62 -1.67 0.01 0.00 -0.57 0.00 0.00 31.44 29.83 3iwl n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3iwl s HIS 46 N -1.31 2.66 0.68 -0.32 3.76 -1.26 -5.01 115.29 114.49 3iwl s HIS 46 Ca 0.49 1.55 -0.16 0.00 -0.15 0.00 0.00 55.06 56.79 3iwl s HIS 46 Cb 0.28 -3.25 0.01 0.00 1.11 0.00 0.00 32.58 30.73 3iwl s HIS 46 CO 0.30 -1.59 1.17 -1.54 -0.85 0.00 0.00 174.74 172.22 3iwl s SER 47 N -2.01 4.75 0.31 1.40 1.04 -1.26 -4.89 113.70 113.04 3iwl s SER 47 Ca 0.71 2.22 0.04 0.00 0.48 0.00 0.00 55.95 59.39 3iwl s SER 47 Cb -0.23 -2.58 0.64 0.00 0.10 0.00 0.00 66.02 63.96 3iwl s SER 47 CO 0.31 -1.88 1.85 -0.03 0.98 0.00 0.00 173.24 174.47 3iwl h MET 48 N 0.06 0.87 -0.27 4.02 4.05 -1.98 -1.88 114.93 119.81 3iwl h MET 48 Ca -0.48 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 58.94 3iwl h MET 48 Cb 1.28 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 31.83 3iwl h MET 48 CO 0.52 0.58 -0.02 -0.44 0.23 0.00 0.00 176.91 177.78 3iwl h ASP 49 N 0.90 -0.15 -0.49 1.39 3.32 -1.99 0.40 116.42 119.80 3iwl h ASP 49 Ca 0.47 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.53 3iwl h ASP 49 Cb 0.54 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3iwl h ASP 49 CO -0.24 -0.04 0.07 0.74 -1.72 0.00 0.00 179.24 178.06 3iwl h THR 50 N 0.06 1.25 -0.54 0.35 2.02 -1.82 -1.04 112.91 113.19 3iwl h THR 50 Ca 0.13 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 3iwl h THR 50 Cb 0.18 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3iwl h THR 50 CO -0.24 0.33 0.13 -0.07 0.37 0.00 0.00 175.52 176.05 3iwl h LEU 51 N 0.69 0.81 -0.20 2.58 3.38 -0.93 -0.34 115.31 121.29 3iwl h LEU 51 Ca 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iwl h LEU 51 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iwl h LEU 51 CO 0.01 0.83 0.13 0.25 0.09 0.00 0.00 178.44 179.75 3iwl h LEU 52 N 0.75 0.23 -0.93 1.67 5.85 -0.76 -0.84 115.31 121.28 3iwl h LEU 52 Ca 0.17 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3iwl h LEU 52 Cb 0.34 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3iwl h LEU 52 CO 0.00 0.16 0.60 0.00 -0.34 0.00 0.00 178.44 178.87 3iwl h ALA 53 N 1.08 1.18 -0.18 1.25 0.00 -0.94 -1.43 119.26 120.22 3iwl h ALA 53 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3iwl h ALA 53 Cb -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3iwl h ALA 53 CO -0.02 0.60 0.08 1.15 0.00 0.00 0.00 179.25 181.05 3iwl h THR 54 N 1.27 1.15 -0.71 0.00 2.02 -0.73 -2.86 112.91 113.05 3iwl h THR 54 Ca 0.34 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3iwl h THR 54 Cb -0.12 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3iwl h THR 54 CO -0.07 0.15 0.31 -0.07 0.37 0.00 0.00 175.52 176.21 3iwl h LEU 55 N 0.15 0.94 -2.19 2.58 3.38 -0.87 -1.97 115.31 117.32 3iwl h LEU 55 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iwl h LEU 55 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iwl h LEU 55 CO -0.01 0.82 0.00 0.11 0.09 0.00 0.00 178.44 179.45 3iwl h LYS 56 N 1.02 0.00 0.00 1.13 1.57 -1.07 -2.34 116.57 116.87 3iwl h LYS 56 Ca 0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3iwl h LYS 56 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3iwl h LYS 56 CO -0.03 0.00 -0.03 0.87 -0.57 0.00 0.00 179.45 179.69 3iwl h LYS 57 N 0.00 0.00 0.00 3.15 1.57 -1.14 -0.30 116.57 119.85 3iwl h LYS 57 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iwl h LYS 57 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3iwl h LYS 57 CO 0.00 0.03 0.00 1.79 -0.57 0.00 0.00 179.45 180.70 3iwl h THR 58 N 0.00 0.00 0.00 -0.16 1.35 -1.58 -3.47 112.91 109.05 3iwl h THR 58 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3iwl h THR 58 Cb 0.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3iwl h THR 58 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3iwl n GLY 59 N -0.09 2.17 3.80 5.82 0.00 -0.12 -5.04 105.19 111.72 3iwl n GLY 59 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3iwl n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwl s LYS 60 N -0.15 3.84 0.16 1.61 -0.14 -1.26 -4.99 119.74 118.80 3iwl s LYS 60 Ca 0.00 1.33 -0.31 0.00 -1.36 0.00 0.00 55.97 55.62 3iwl s LYS 60 Cb 0.00 -2.10 -0.10 0.00 -1.68 0.00 0.00 37.83 33.94 3iwl s LYS 60 CO 0.00 -0.39 1.66 0.99 -0.76 0.00 0.00 175.35 176.84 3iwl s THR 61 N -2.02 2.51 -0.04 2.17 2.01 -1.26 -4.72 115.64 114.30 3iwl s THR 61 Ca 0.67 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.99 3iwl s THR 61 Cb -0.15 -3.18 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 3iwl s THR 61 CO 0.20 0.02 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.30 3iwl s VAL 62 N 1.57 1.25 0.24 3.82 1.01 -1.26 -1.27 120.40 125.75 3iwl s VAL 62 Ca 0.73 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3iwl s VAL 62 Cb -0.45 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3iwl s VAL 62 CO 0.32 0.37 0.12 -0.94 0.00 0.00 0.00 175.10 174.97 3iwl s SER 63 N 0.06 0.74 -0.21 3.32 1.04 -0.42 -4.99 113.70 113.24 3iwl s SER 63 Ca -0.03 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 54.91 3iwl s SER 63 Cb -0.10 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3iwl s SER 63 CO 0.02 -0.81 0.08 -0.47 0.98 0.00 0.00 173.24 173.04 3iwl s TYR 64 N -3.93 3.21 -2.77 5.02 5.04 -1.26 -0.79 117.35 121.87 3iwl s TYR 64 Ca 0.38 -0.03 0.24 0.00 -2.44 0.00 0.00 57.07 55.22 3iwl s TYR 64 Cb 0.07 -2.16 0.21 0.00 0.35 0.00 0.00 41.96 40.43 3iwl s TYR 64 CO 0.14 -0.01 1.26 1.28 -1.34 0.00 0.00 175.55 176.88 3iwl n LEU 65 N 4.07 2.70 0.00 6.97 4.77 0.51 -4.90 117.00 131.12 3iwl n LEU 65 Ca -0.16 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3iwl n LEU 65 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3iwl n LEU 65 CO 0.34 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3iwl n GLY 66 N 1.35 -2.74 0.00 -0.72 0.00 -1.14 -4.84 105.19 97.10 3iwl n GLY 66 Ca 0.13 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 44.15 3iwl n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36