#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwb s SER 3 N 0.00 -0.68 0.38 4.39 1.04 -1.26 -5.05 113.70 112.53 3iwb s SER 3 Ca 0.00 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.57 3iwb s SER 3 Cb 0.00 0.98 0.85 0.00 0.10 0.00 0.00 66.02 67.96 3iwb s SER 3 CO 0.00 -0.42 1.94 -0.07 0.98 0.00 0.00 173.24 175.68 3iwb h LEU 4 N 4.08 0.56 -8.34 2.42 3.38 -2.12 -3.44 115.31 111.84 3iwb h LEU 4 Ca -0.28 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 3iwb h LEU 4 Cb 1.15 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 3iwb h LEU 4 CO 0.22 0.34 -0.45 -0.83 0.09 0.00 0.00 178.44 177.82 3iwb s GLY 5 N -3.66 0.89 -0.13 0.83 0.00 -1.26 -5.14 107.32 98.84 3iwb s GLY 5 Ca -0.09 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.39 3iwb s GLY 5 CO 0.77 -1.08 -0.17 0.50 0.00 0.00 0.00 173.10 173.12 3iwb s ARG 6 N -4.05 2.48 -0.13 2.90 0.52 -1.26 -5.08 118.95 114.32 3iwb s ARG 6 Ca 0.26 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3iwb s ARG 6 Cb 0.05 -2.13 0.02 0.00 0.52 0.00 0.00 34.95 33.41 3iwb s ARG 6 CO 0.06 -0.12 -0.15 -1.58 0.02 0.00 0.00 175.30 173.53 3iwb s HIS 7 N 1.12 2.12 -0.23 -0.53 2.46 -1.26 -5.11 115.29 113.87 3iwb s HIS 7 Ca -0.02 -1.12 -0.08 0.00 0.47 0.00 0.00 55.06 54.31 3iwb s HIS 7 Cb -0.14 -1.54 -0.04 0.00 -0.13 0.00 0.00 32.58 30.73 3iwb s HIS 7 CO -0.05 -0.60 0.10 -0.51 -2.47 0.00 0.00 174.74 171.21 3iwb s LEU 8 N 1.28 3.75 -0.32 8.88 1.43 -1.26 -5.05 118.68 127.39 3iwb s LEU 8 Ca 0.00 -0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 3iwb s LEU 8 Cb -0.14 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 3iwb s LEU 8 CO -0.07 0.06 0.16 -0.69 0.23 0.00 0.00 176.35 176.03 3iwb s VAL 9 N 1.09 4.61 -0.05 -1.59 1.01 -1.26 -5.07 120.40 119.15 3iwb s VAL 9 Ca 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3iwb s VAL 9 Cb -0.14 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3iwb s VAL 9 CO 0.04 0.03 -0.19 0.00 0.00 0.00 0.00 175.10 174.98 3iwb s ALA 10 N 1.61 1.66 -0.33 5.51 0.00 -1.26 -5.10 121.76 123.85 3iwb s ALA 10 Ca 0.04 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 3iwb s ALA 10 Cb -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3iwb s ALA 10 CO 0.06 0.30 0.16 -1.21 0.00 0.00 0.00 175.76 175.08 3iwb s GLU 11 N -0.00 3.18 -0.23 0.00 0.41 -1.26 -5.07 118.70 115.73 3iwb s GLU 11 Ca -0.04 -0.83 -0.09 0.00 -0.41 0.00 0.00 54.97 53.61 3iwb s GLU 11 Cb -0.12 -3.60 -0.04 0.00 -1.78 0.00 0.00 34.13 28.58 3iwb s GLU 11 CO 0.02 -0.50 0.11 -0.06 -0.49 0.00 0.00 175.26 174.35 3iwb s PHE 12 N 1.59 3.21 0.21 1.61 2.99 -1.26 -5.10 117.98 121.24 3iwb s PHE 12 Ca 0.04 -0.02 0.11 0.00 0.00 0.00 0.00 56.93 57.05 3iwb s PHE 12 Cb -0.18 -2.22 -0.04 0.00 0.00 0.00 0.00 43.02 40.58 3iwb s PHE 12 CO 0.06 -0.06 -0.17 0.71 -0.00 0.00 0.00 175.22 175.76 3iwb s TYR 13 N 1.12 2.44 -1.48 0.36 2.02 -1.26 -4.75 117.35 115.80 3iwb s TYR 13 Ca 0.06 -0.30 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 3iwb s TYR 13 Cb -0.14 -1.17 0.05 0.00 -0.40 0.00 0.00 41.96 40.30 3iwb s TYR 13 CO 0.04 0.55 0.65 0.39 -1.57 0.00 0.00 175.55 175.61 3iwb n GLU 14 N -0.03 -3.99 -1.71 -0.62 1.02 -1.26 -4.96 120.64 109.08 3iwb n GLU 14 Ca -0.10 0.47 -0.29 0.00 -0.02 0.00 0.00 57.16 57.22 3iwb n GLU 14 Cb 0.57 -4.95 0.14 0.00 -0.02 0.00 0.00 31.44 27.17 3iwb n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwb s ASP 16 N -4.38 6.52 0.56 0.00 -1.08 -1.26 -4.89 116.67 112.13 3iwb s ASP 16 Ca 0.66 1.06 0.28 0.00 -0.52 0.00 0.00 52.55 54.03 3iwb s ASP 16 Cb -0.11 -2.54 1.63 0.00 -1.46 0.00 0.00 42.92 40.44 3iwb s ASP 16 CO 0.52 -1.24 2.17 0.03 0.52 0.00 0.00 175.17 177.17 3iwb h ARG 17 N 9.95 0.00 -0.10 4.34 3.08 -1.99 -2.52 114.38 127.14 3iwb h ARG 17 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 3iwb h ARG 17 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3iwb h ARG 17 CO 1.05 0.06 -0.17 0.93 -1.07 0.00 0.00 179.97 180.77 3iwb h GLU 18 N 0.00 0.29 -0.53 0.04 4.39 -1.98 -3.05 114.58 113.74 3iwb h GLU 18 Ca -0.00 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.57 3iwb h GLU 18 Cb 0.15 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3iwb h GLU 18 CO 0.01 0.76 0.28 0.28 -1.16 0.00 0.00 179.01 179.18 3iwb h VAL 19 N -0.16 0.97 -0.10 3.13 2.07 -1.85 -1.57 116.25 118.74 3iwb h VAL 19 Ca 0.01 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3iwb h VAL 19 Cb 0.74 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3iwb h VAL 19 CO 0.04 0.10 0.12 -0.07 0.02 0.00 0.00 177.57 177.78 3iwb h LEU 20 N 0.54 0.00 -3.16 2.57 3.38 -1.47 -1.08 115.31 116.09 3iwb h LEU 20 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3iwb h LEU 20 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3iwb h LEU 20 CO -0.16 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.70 3iwb n ASP 21 N -3.76 4.22 -4.17 -0.43 2.03 -0.62 -4.31 116.55 109.51 3iwb n ASP 21 Ca -0.00 -2.57 -0.39 0.00 0.52 0.00 0.00 54.79 52.35 3iwb n ASP 21 Cb 0.22 -0.51 -0.09 0.00 -0.72 0.00 0.00 41.12 40.02 3iwb n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3iwb s ASN 22 N -1.22 5.54 0.31 1.67 3.84 -0.41 -4.93 114.94 119.74 3iwb s ASN 22 Ca 0.43 -2.06 -0.01 0.00 0.21 0.00 0.00 52.86 51.43 3iwb s ASN 22 Cb 0.30 -1.94 0.50 0.00 -0.55 0.00 0.00 41.25 39.55 3iwb s ASN 22 CO 0.17 -0.61 1.96 1.62 -2.79 0.00 0.00 177.10 177.45 3iwb h VAL 23 N 6.09 1.20 -0.03 -5.21 3.04 -1.88 -1.07 116.25 118.39 3iwb h VAL 23 Ca -0.16 -0.43 -0.15 0.00 -1.01 0.00 0.00 66.70 64.95 3iwb h VAL 23 Cb 1.05 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 3iwb h VAL 23 CO 0.79 0.21 -0.68 -0.61 -1.01 0.00 0.00 177.57 176.27 3iwb h GLN 24 N 0.98 0.15 -0.01 4.17 4.15 -1.96 -2.49 115.11 120.11 3iwb h GLN 24 Ca 0.26 -0.12 -0.25 0.00 0.77 0.00 0.00 58.65 59.31 3iwb h GLN 24 Cb -0.05 0.02 0.02 0.00 0.21 0.00 0.00 27.48 27.69 3iwb h GLN 24 CO -0.05 0.77 -0.95 1.25 -1.93 0.00 0.00 178.83 177.92 3iwb h LEU 25 N 0.11 0.85 -0.49 -2.39 5.85 -1.84 -1.02 115.31 116.39 3iwb h LEU 25 Ca -0.01 -0.73 0.01 0.00 0.84 0.00 0.00 57.88 57.98 3iwb h LEU 25 Cb 1.20 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3iwb h LEU 25 CO 0.10 1.48 0.31 0.40 -0.34 0.00 0.00 178.44 180.38 3iwb h ILE 26 N 0.32 1.09 -0.66 4.05 1.08 -1.20 0.42 117.51 122.61 3iwb h ILE 26 Ca -0.12 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 3iwb h ILE 26 Cb 1.61 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 3iwb h ILE 26 CO 0.19 0.11 0.28 -0.08 -0.69 0.00 0.00 178.15 177.97 3iwb h GLU 27 N 0.63 0.97 -0.20 2.37 4.81 -1.46 0.46 114.58 122.17 3iwb h GLU 27 Ca 0.19 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3iwb h GLU 27 Cb -0.03 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3iwb h GLU 27 CO -0.06 0.80 0.07 0.37 -0.73 0.00 0.00 179.01 179.45 3iwb h GLN 28 N 0.92 0.16 -0.35 1.92 4.15 0.02 -0.55 115.11 121.37 3iwb h GLN 28 Ca 0.22 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.51 3iwb h GLN 28 Cb 0.17 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3iwb h GLN 28 CO -0.02 0.10 -0.28 0.93 -1.93 0.00 0.00 178.83 177.64 3iwb h GLU 29 N 0.16 0.80 -0.57 1.69 4.39 0.23 -2.11 114.58 119.17 3iwb h GLU 29 Ca 0.08 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3iwb h GLU 29 Cb 0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3iwb h GLU 29 CO -0.09 1.03 0.28 0.52 -1.16 0.00 0.00 179.01 179.59 3iwb h MET 30 N 0.59 0.82 -0.29 2.33 2.86 0.06 0.01 114.93 121.30 3iwb h MET 30 Ca 0.06 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3iwb h MET 30 Cb 0.85 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3iwb h MET 30 CO 0.07 0.66 0.01 0.87 1.06 0.00 0.00 176.91 179.58 3iwb h LYS 31 N 0.77 0.43 -0.20 1.72 1.57 -1.03 -1.62 116.57 118.21 3iwb h LYS 31 Ca 0.20 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3iwb h LYS 31 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3iwb h LYS 31 CO -0.03 0.45 -0.14 0.37 -0.57 0.00 0.00 179.45 179.54 3iwb h GLN 32 N 0.42 0.45 -0.84 3.15 5.75 -0.67 -2.17 115.11 121.21 3iwb h GLN 32 Ca 0.10 -0.22 0.11 0.00 -0.15 0.00 0.00 58.65 58.49 3iwb h GLN 32 Cb 0.26 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.75 3iwb h GLN 32 CO 0.01 0.77 0.55 0.00 -2.65 0.00 0.00 178.83 177.50 3iwb h ALA 33 N 0.67 1.77 -0.38 3.38 0.00 -0.62 0.21 119.26 124.29 3iwb h ALA 33 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3iwb h ALA 33 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3iwb h ALA 33 CO 0.04 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.47 3iwb h ALA 34 N 1.59 0.50 -0.12 0.00 0.00 -1.00 -1.74 119.26 118.49 3iwb h ALA 34 Ca 0.40 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3iwb h ALA 34 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3iwb h ALA 34 CO -0.17 0.11 0.03 1.88 0.00 0.00 0.00 179.25 181.10 3iwb h TYR 35 N 0.47 0.06 -0.26 0.00 0.05 -0.07 -2.17 116.97 115.04 3iwb h TYR 35 Ca 0.13 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.98 3iwb h TYR 35 Cb 0.20 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3iwb h TYR 35 CO 0.00 0.03 0.19 0.93 -1.05 0.00 0.00 178.16 178.25 3iwb h GLU 36 N 0.09 0.06 0.00 4.88 4.39 -0.55 0.78 114.58 124.23 3iwb h GLU 36 Ca 0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3iwb h GLU 36 Cb 0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3iwb h GLU 36 CO -0.06 0.04 -0.11 0.66 -1.16 0.00 0.00 179.01 178.38 3iwb h SER 37 N 0.06 0.00 0.00 1.42 4.64 -0.88 -3.48 113.55 115.31 3iwb h SER 37 Ca 0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3iwb h SER 37 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3iwb h SER 37 CO -0.01 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3iwb n GLY 38 N 1.20 2.82 3.61 -0.77 0.00 0.27 -5.03 105.19 107.28 3iwb n GLY 38 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3iwb n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwb n ALA 39 N -1.67 0.00 -2.52 4.61 0.00 -1.07 -4.94 120.51 114.93 3iwb n ALA 39 Ca 0.00 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3iwb n ALA 39 Cb 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.30 3iwb n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iwb s THR 40 N -0.76 4.90 0.04 0.00 -4.23 -1.26 -4.60 115.64 109.73 3iwb s THR 40 Ca 0.62 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.90 3iwb s THR 40 Cb -0.71 -4.14 -0.06 0.00 1.34 0.00 0.00 72.50 68.92 3iwb s THR 40 CO 0.57 -0.51 1.43 -0.63 -0.54 0.00 0.00 174.62 174.94 3iwb s ILE 41 N 2.64 3.53 -0.23 2.99 1.01 -1.26 -4.55 121.20 125.33 3iwb s ILE 41 Ca 0.20 0.98 -0.18 0.00 0.00 0.00 0.00 60.65 61.66 3iwb s ILE 41 Cb -0.15 -3.63 -0.17 0.00 0.01 0.00 0.00 42.46 38.52 3iwb s ILE 41 CO 0.17 0.02 0.03 0.52 0.00 0.00 0.00 174.94 175.68 3iwb n VAL 42 N 4.49 1.55 -3.47 2.92 0.31 0.95 -5.00 118.33 120.08 3iwb n VAL 42 Ca 0.13 -0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 3iwb n VAL 42 Cb 0.43 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 3iwb n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3iwb s THR 43 N -2.42 0.00 -0.01 2.52 -1.32 -1.12 -5.00 115.64 108.28 3iwb s THR 43 Ca -0.32 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3iwb s THR 43 Cb 0.09 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 3iwb s THR 43 CO 0.57 0.00 0.02 -0.55 -2.21 0.00 0.00 174.62 172.45 3iwb s SER 44 N -2.22 0.03 -0.09 8.08 0.15 -1.26 -0.36 113.70 118.03 3iwb s SER 44 Ca -0.01 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 3iwb s SER 44 Cb -0.01 -0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.32 3iwb s SER 44 CO -0.06 -0.07 0.20 0.28 1.20 0.00 0.00 173.24 174.79 3iwb s THR 45 N 0.56 -0.13 0.02 6.45 -1.32 -0.48 -5.02 115.64 115.71 3iwb s THR 45 Ca -0.05 0.21 0.05 0.00 -1.21 0.00 0.00 61.69 60.69 3iwb s THR 45 Cb -0.07 -0.32 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 3iwb s THR 45 CO -0.02 0.09 -0.14 -0.36 -2.21 0.00 0.00 174.62 171.98 3iwb s PHE 46 N 1.55 1.23 0.02 9.09 0.08 -1.26 -1.45 117.98 127.23 3iwb s PHE 46 Ca -0.06 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.74 3iwb s PHE 46 Cb -0.11 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3iwb s PHE 46 CO -0.07 0.01 -0.14 -1.01 -0.10 0.00 0.00 175.22 173.92 3iwb s HIS 47 N -0.63 1.21 -0.39 0.36 3.76 0.18 -4.99 115.29 114.79 3iwb s HIS 47 Ca 0.03 -0.29 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 3iwb s HIS 47 Cb -0.07 -0.75 0.05 0.00 1.11 0.00 0.00 32.58 32.92 3iwb s HIS 47 CO 0.01 0.01 0.21 0.50 -0.85 0.00 0.00 174.74 174.62 3iwb s ARG 48 N -0.74 2.72 0.19 1.40 6.06 -1.26 -1.49 118.95 125.83 3iwb s ARG 48 Ca 0.03 -1.23 -0.07 0.00 -2.50 0.00 0.00 55.73 51.97 3iwb s ARG 48 Cb -0.07 -3.72 -0.06 0.00 0.06 0.00 0.00 34.95 31.16 3iwb s ARG 48 CO 0.00 -0.79 0.46 0.12 -2.50 0.00 0.00 175.30 172.60 3iwb s PHE 49 N 1.49 3.45 0.06 5.12 5.36 -0.67 -5.03 117.98 127.76 3iwb s PHE 49 Ca 0.02 0.71 0.05 0.00 -0.96 0.00 0.00 56.93 56.74 3iwb s PHE 49 Cb -0.21 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.31 3iwb s PHE 49 CO 0.05 0.35 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.59 3iwb s LEU 50 N -2.74 3.22 0.37 6.12 1.43 -1.26 -3.26 118.68 122.55 3iwb s LEU 50 Ca 0.44 -0.23 0.20 0.00 -1.03 0.00 0.00 54.13 53.51 3iwb s LEU 50 Cb -0.12 -1.93 0.41 0.00 0.03 0.00 0.00 46.19 44.58 3iwb s LEU 50 CO 0.23 0.22 1.61 1.55 0.23 0.00 0.00 176.35 180.19 3iwb h PRO 51 N 3.94 0.00 -4.65 1.29 0.13 -2.07 -3.49 132.00 127.15 3iwb h PRO 51 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 3iwb h PRO 51 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 3iwb h PRO 51 CO 0.55 0.29 -0.70 0.71 -0.23 0.00 0.00 178.00 178.62 3iwb s TYR 52 N -3.23 0.86 0.00 1.56 2.02 -1.20 -5.13 117.35 112.22 3iwb s TYR 52 Ca 0.04 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 3iwb s TYR 52 Cb 0.08 -0.50 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 3iwb s TYR 52 CO 0.69 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.95 3iwb n GLY 53 N 0.25 3.08 2.84 0.71 0.00 -1.25 -4.65 105.19 106.17 3iwb n GLY 53 Ca -0.14 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 3iwb n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwb s VAL 54 N -1.63 -0.08 -0.10 1.61 1.01 -1.26 -1.66 120.40 118.28 3iwb s VAL 54 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3iwb s VAL 54 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3iwb s VAL 54 CO 0.00 0.10 -0.17 -0.44 0.00 0.00 0.00 175.10 174.59 3iwb s SER 55 N 1.36 3.71 -0.07 3.32 0.01 -0.56 -4.97 113.70 116.51 3iwb s SER 55 Ca -0.06 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 56.65 3iwb s SER 55 Cb -0.12 -1.34 0.04 0.00 0.21 0.00 0.00 66.02 64.81 3iwb s SER 55 CO -0.05 0.21 0.41 -0.83 0.41 0.00 0.00 173.24 173.39 3iwb s GLY 56 N 0.09 -0.28 -0.04 3.44 0.00 -1.26 0.47 107.32 109.74 3iwb s GLY 56 Ca -0.08 0.79 -0.03 0.00 0.00 0.00 0.00 44.72 45.40 3iwb s GLY 56 CO 0.05 0.57 0.10 0.54 0.00 0.00 0.00 173.10 174.37 3iwb s VAL 57 N -0.78 -0.01 -0.22 1.40 0.11 -0.53 -5.00 120.40 115.38 3iwb s VAL 57 Ca -0.09 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 3iwb s VAL 57 Cb -0.04 -0.15 0.03 0.00 -1.53 0.00 0.00 36.38 34.70 3iwb s VAL 57 CO 0.04 0.01 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.99 3iwb s VAL 58 N 0.16 2.27 -0.16 2.04 1.01 -1.26 -1.38 120.40 123.07 3iwb s VAL 58 Ca -0.01 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 3iwb s VAL 58 Cb -0.02 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3iwb s VAL 58 CO -0.00 0.29 0.82 -0.69 0.00 0.00 0.00 175.10 175.51 3iwb s VAL 59 N 1.24 4.89 0.00 2.92 1.01 0.51 -4.98 120.40 125.99 3iwb s VAL 59 Ca -0.01 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3iwb s VAL 59 Cb -0.16 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3iwb s VAL 59 CO -0.09 0.04 0.48 2.30 0.00 0.00 0.00 175.10 177.83