#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iba h ALA 16 N 0.00 0.88 0.00 3.04 0.00 -1.99 -2.22 119.26 118.97 1iba h ALA 16 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1iba h ALA 16 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1iba h ALA 16 CO 0.00 -0.29 -1.08 -1.00 0.00 0.00 0.00 179.25 176.88 1iba h PRO 17 N 0.31 0.00 -1.07 0.00 0.13 -1.96 -3.30 132.00 126.11 1iba h PRO 17 Ca 0.37 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.79 1iba h PRO 17 Cb 0.59 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.63 1iba h PRO 17 CO -0.44 0.12 0.70 0.00 -0.23 0.00 0.00 178.00 178.15 1iba h ALA 18 N 1.77 2.38 0.30 -0.56 0.00 -1.84 0.38 119.26 121.70 1iba h ALA 18 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iba h ALA 18 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1iba h ALA 18 CO 0.02 -0.79 -0.15 1.25 0.00 0.00 0.00 179.25 179.58 1iba h LEU 19 N 0.32 -0.34 -1.46 0.00 7.12 -1.55 -0.85 115.31 118.54 1iba h LEU 19 Ca 0.60 -0.18 0.22 0.00 0.13 0.00 0.00 57.88 58.66 1iba h LEU 19 Cb 1.67 0.09 -0.07 0.00 -0.53 0.00 0.00 40.66 41.82 1iba h LEU 19 CO -0.27 0.02 0.62 1.62 -0.13 0.00 0.00 178.44 180.31 1iba h VAL 20 N -0.75 0.64 -0.28 1.05 3.04 -0.53 0.55 116.25 119.97 1iba h VAL 20 Ca -0.04 -0.14 -0.13 0.00 -1.01 0.00 0.00 66.70 65.37 1iba h VAL 20 Cb 0.50 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.96 1iba h VAL 20 CO 0.07 0.08 -0.37 0.00 -1.01 0.00 0.00 177.57 176.34 1iba h ALA 21 N 1.61 0.83 -1.40 3.17 0.00 -0.31 0.36 119.26 123.52 1iba h ALA 21 Ca 0.50 -0.43 0.41 0.00 0.00 0.00 0.00 54.91 55.40 1iba h ALA 21 Cb 1.25 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1iba h ALA 21 CO -0.21 0.64 0.97 0.00 0.00 0.00 0.00 179.25 180.66 1iba h ALA 22 N 1.06 3.11 0.00 0.00 0.00 0.16 0.21 119.26 123.80 1iba h ALA 22 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iba h ALA 22 Cb 0.88 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1iba h ALA 22 CO 0.08 -1.58 -0.70 0.34 0.00 0.00 0.00 179.25 177.39 1iba n PHE 23 N -4.29 0.00 1.64 0.00 -0.00 -1.19 -4.76 117.46 108.86 1iba n PHE 23 Ca 0.33 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.84 1iba n PHE 23 Cb 1.43 0.14 0.35 0.00 -0.00 0.00 0.00 39.48 41.40 1iba n PHE 23 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1iba n GLY 24 N 2.57 -0.82 0.43 7.13 0.00 0.12 -3.27 105.19 111.36 1iba n GLY 24 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1iba n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iba n GLY 25 N 0.46 -0.01 3.49 -0.02 0.00 0.73 -4.72 105.19 105.13 1iba n GLY 25 Ca 0.09 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 1iba n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iba s LYS 26 N -2.20 4.02 0.55 1.61 3.01 -1.20 -4.81 119.74 120.71 1iba s LYS 26 Ca 0.16 -2.36 0.37 0.00 -1.01 0.00 0.00 55.97 53.13 1iba s LYS 26 Cb 0.16 -5.16 1.56 0.00 -1.01 0.00 0.00 37.83 33.37 1iba s LYS 26 CO 0.50 -1.88 1.78 1.05 0.51 0.00 0.00 175.35 177.31 1iba h GLU 27 N 7.43 0.00 -0.29 1.68 4.11 -1.90 0.26 114.58 125.88 1iba h GLU 27 Ca 0.33 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.84 1iba h GLU 27 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1iba h GLU 27 CO 1.29 0.00 0.82 -0.97 0.07 0.00 0.00 179.01 180.21 1iba h ASN 28 N 0.00 0.00 0.00 3.06 -1.24 -1.99 -3.45 115.58 111.97 1iba h ASN 28 Ca 0.58 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.59 1iba h ASN 28 Cb 2.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.41 1iba h ASN 28 CO -0.01 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.75 1iba n ILE 29 N -2.92 0.00 -0.03 2.57 -0.00 0.91 -5.02 119.36 114.88 1iba n ILE 29 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.74 1iba n ILE 29 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.54 1iba n ILE 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1iba n THR 30 N 0.00 0.63 -3.35 1.39 -1.04 -1.26 -5.03 114.28 105.61 1iba n THR 30 Ca 0.00 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 61.91 1iba n THR 30 Cb 0.00 -1.65 -0.08 0.00 -1.82 0.00 0.00 70.33 66.78 1iba n THR 30 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1iba s ASN 31 N -5.76 0.27 0.42 8.00 0.01 -0.51 -5.05 114.94 112.31 1iba s ASN 31 Ca -0.10 0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.32 1iba s ASN 31 Cb 0.04 1.10 -0.03 0.00 0.41 0.00 0.00 41.25 42.76 1iba s ASN 31 CO 0.13 -0.30 0.30 -0.76 -1.51 0.00 0.00 177.10 174.96 1iba s LEU 32 N 2.54 3.26 -0.41 0.60 1.02 -1.26 -0.72 118.68 123.71 1iba s LEU 32 Ca 0.13 -0.90 0.07 0.00 0.02 0.00 0.00 54.13 53.45 1iba s LEU 32 Cb -0.15 -1.77 0.24 0.00 0.02 0.00 0.00 46.19 44.52 1iba s LEU 32 CO -0.16 -0.62 0.50 0.47 0.02 0.00 0.00 176.35 176.56 1iba n ASP 33 N -1.42 0.31 -4.74 2.29 9.92 -1.24 -4.93 116.55 116.72 1iba n ASP 33 Ca 0.01 -2.69 -0.37 0.00 -0.53 0.00 0.00 54.79 51.21 1iba n ASP 33 Cb 0.63 -0.63 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 1iba n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iba s ALA 34 N -1.06 2.60 0.22 2.24 0.00 -1.26 -3.17 121.76 121.33 1iba s ALA 34 Ca 0.35 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 1iba s ALA 34 Cb 0.14 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.79 1iba s ALA 34 CO -0.12 -1.39 0.91 0.00 0.00 0.00 0.00 175.76 175.16 1iba n ILE 36 N -0.53 -0.41 -2.73 0.00 -0.00 -1.26 -2.30 119.36 112.14 1iba n ILE 36 Ca -0.05 1.60 -0.05 0.00 -0.00 0.00 0.00 62.75 64.25 1iba n ILE 36 Cb 0.60 -2.03 0.07 0.00 -0.00 0.00 0.00 39.64 38.28 1iba n ILE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1iba n THR 37 N -4.90 0.75 -3.77 7.28 -1.04 -1.26 -5.06 114.28 106.28 1iba n THR 37 Ca 0.04 -2.41 -0.13 0.00 -2.04 0.00 0.00 64.05 59.52 1iba n THR 37 Cb 0.22 0.99 -0.12 0.00 -1.82 0.00 0.00 70.33 69.59 1iba n THR 37 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1iba s ARG 38 N -2.23 0.25 -0.28 -2.82 0.52 -0.97 -3.14 118.95 110.27 1iba s ARG 38 Ca 0.23 0.41 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 1iba s ARG 38 Cb 0.40 0.04 0.15 0.00 0.52 0.00 0.00 34.95 36.06 1iba s ARG 38 CO -0.04 -0.08 0.36 -0.48 0.02 0.00 0.00 175.30 175.08 1iba s LEU 39 N 0.56 -0.57 0.71 2.53 0.05 0.14 0.64 118.68 122.74 1iba s LEU 39 Ca -0.04 -0.47 -0.08 0.00 0.05 0.00 0.00 54.13 53.59 1iba s LEU 39 Cb -0.05 0.88 0.05 0.00 -2.05 0.00 0.00 46.19 45.02 1iba s LEU 39 CO -0.03 -0.36 1.05 -0.13 -0.55 0.00 0.00 176.35 176.32 1iba s ARG 40 N 2.47 2.31 -0.39 1.48 0.52 -1.19 -3.44 118.95 120.72 1iba s ARG 40 Ca 0.10 -0.05 0.10 0.00 -0.52 0.00 0.00 55.73 55.36 1iba s ARG 40 Cb -0.13 -2.11 0.32 0.00 0.52 0.00 0.00 34.95 33.55 1iba s ARG 40 CO -0.30 -1.23 0.73 0.28 0.02 0.00 0.00 175.30 174.81 1iba n VAL 41 N -2.98 -0.25 -2.41 3.52 0.31 0.03 -3.68 118.33 112.86 1iba n VAL 41 Ca 0.07 -4.06 -0.43 0.00 -0.01 0.00 0.00 64.34 59.91 1iba n VAL 41 Cb 0.60 -0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 33.14 1iba n VAL 41 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1iba s SER 42 N -2.04 6.77 0.15 4.52 0.01 0.11 -4.05 113.70 119.16 1iba s SER 42 Ca 0.37 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.96 1iba s SER 42 Cb 0.30 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 1iba s SER 42 CO -0.09 -0.96 0.27 0.68 0.41 0.00 0.00 173.24 173.56 1iba s VAL 43 N 4.06 0.08 0.08 3.43 -7.23 -1.26 -1.43 120.40 118.13 1iba s VAL 43 Ca 0.56 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 1iba s VAL 43 Cb -0.19 -1.71 -0.28 0.00 0.56 0.00 0.00 36.38 34.76 1iba s VAL 43 CO 0.20 -0.37 1.14 0.00 -0.31 0.00 0.00 175.10 175.77 1iba h ALA 44 N 2.57 0.09 -3.00 1.32 0.00 -1.95 -3.43 119.26 114.86 1iba h ALA 44 Ca -0.32 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1iba h ALA 44 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1iba h ALA 44 CO 0.50 0.89 0.00 -3.47 0.00 0.00 0.00 179.25 177.16 1iba n ASP 45 N -3.61 0.00 -1.07 0.00 2.03 -1.26 -4.68 116.55 107.97 1iba n ASP 45 Ca -0.10 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.19 1iba n ASP 45 Cb 1.01 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.39 1iba n ASP 45 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1iba n VAL 46 N 0.00 0.00 -0.06 5.18 0.24 -1.26 -4.76 118.33 117.67 1iba n VAL 46 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1iba n VAL 46 Cb 0.00 -0.23 -0.07 0.00 -1.47 0.00 0.00 33.84 32.07 1iba n VAL 46 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1iba h SER 47 N 0.00 0.42 0.00 -1.34 0.87 -1.99 -3.35 113.55 108.16 1iba h SER 47 Ca -0.05 -0.48 -0.04 0.00 -1.23 0.00 0.00 61.79 60.00 1iba h SER 47 Cb 0.16 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 1iba h SER 47 CO 0.07 0.81 -0.55 2.29 -0.53 0.00 0.00 176.83 178.92 1iba n LYS 48 N -4.52 0.23 -1.33 2.24 0.00 -1.26 -5.12 118.16 108.38 1iba n LYS 48 Ca -0.06 -1.51 -0.33 0.00 -0.00 0.00 0.00 58.31 56.42 1iba n LYS 48 Cb 0.37 -0.57 0.10 0.00 -0.00 0.00 0.00 35.03 34.93 1iba n LYS 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1iba s VAL 49 N -0.50 2.65 -0.98 0.58 0.11 -1.26 -4.93 120.40 116.08 1iba s VAL 49 Ca 0.13 0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 59.44 1iba s VAL 49 Cb 0.13 -2.71 0.31 0.00 -1.53 0.00 0.00 36.38 32.58 1iba s VAL 49 CO -0.03 -0.22 1.47 -0.67 -3.33 0.00 0.00 175.10 172.32 1iba n ASP 50 N -3.08 6.30 -0.28 3.54 -0.08 -1.26 -4.79 116.55 116.89 1iba n ASP 50 Ca 0.12 -3.53 -0.05 0.00 -1.51 0.00 0.00 54.79 49.82 1iba n ASP 50 Cb 0.51 -1.12 0.06 0.00 2.34 0.00 0.00 41.12 42.92 1iba n ASP 50 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1iba h GLN 51 N 4.72 1.09 -1.59 -0.67 7.50 -1.97 -1.38 115.11 122.81 1iba h GLN 51 Ca 0.30 -0.14 0.47 0.00 0.50 0.00 0.00 58.65 59.79 1iba h GLN 51 Cb 0.52 -0.21 -0.08 0.00 0.05 0.00 0.00 27.48 27.75 1iba h GLN 51 CO 1.20 0.82 1.11 0.00 -1.50 0.00 0.00 178.83 180.46 1iba h ALA 52 N 1.21 3.34 0.05 3.87 0.00 -2.00 0.52 119.26 126.26 1iba h ALA 52 Ca 0.27 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 1iba h ALA 52 Cb 0.06 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1iba h ALA 52 CO -0.04 -1.87 -1.69 0.41 0.00 0.00 0.00 179.25 176.06 1iba n GLY 53 N -1.77 -0.68 0.26 0.00 0.00 -0.78 -4.34 105.19 97.88 1iba n GLY 53 Ca 0.37 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.36 1iba n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iba h LEU 54 N -0.51 0.19 -0.15 0.99 6.46 0.53 0.38 115.31 123.20 1iba h LEU 54 Ca -0.41 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1iba h LEU 54 Cb 1.65 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 41.51 1iba h LEU 54 CO -0.09 0.25 -0.04 0.07 -0.62 0.00 0.00 178.44 178.00 1iba h LYS 55 N 0.21 -0.00 0.05 1.25 5.09 -0.35 0.78 116.57 123.59 1iba h LYS 55 Ca 0.05 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.47 1iba h LYS 55 Cb 0.17 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.47 1iba h LYS 55 CO 0.00 -0.00 -1.80 0.36 -2.09 0.00 0.00 179.45 175.92 1iba n LYS 56 N -5.18 0.65 0.09 0.07 2.85 -0.93 -1.28 118.16 114.43 1iba n LYS 56 Ca -0.03 0.38 -0.01 0.00 -1.05 0.00 0.00 58.31 57.60 1iba n LYS 56 Cb 0.10 -1.68 -0.04 0.00 -0.65 0.00 0.00 35.03 32.76 1iba n LYS 56 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1iba h LEU 57 N -0.51 0.00 0.00 -5.58 7.12 -0.36 -3.40 115.31 112.58 1iba h LEU 57 Ca -0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1iba h LEU 57 Cb 1.67 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 1iba h LEU 57 CO -0.11 0.67 -0.23 0.61 -0.13 0.00 0.00 178.44 179.24 1iba n GLY 58 N 1.30 -0.57 0.00 3.75 0.00 0.21 -4.97 105.19 104.91 1iba n GLY 58 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iba n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iba n ALA 59 N -2.90 0.00 -2.72 4.61 0.00 0.21 -4.72 120.51 114.99 1iba n ALA 59 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1iba n ALA 59 Cb 0.12 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.66 1iba n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iba n ALA 60 N -3.00 -0.80 0.00 0.00 0.00 0.00 -4.04 120.51 112.67 1iba n ALA 60 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1iba n ALA 60 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1iba n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iba n GLY 61 N 0.31 -0.86 3.88 0.00 0.00 0.54 -4.30 105.19 104.76 1iba n GLY 61 Ca 0.05 0.29 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1iba n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iba s VAL 62 N 0.00 2.07 -0.10 1.61 -7.23 -1.26 -1.83 120.40 113.66 1iba s VAL 62 Ca 0.00 -1.44 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1iba s VAL 62 Cb 0.00 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.46 1iba s VAL 62 CO 0.00 0.00 0.26 0.54 -0.31 0.00 0.00 175.10 175.59 1iba s VAL 63 N -2.65 -0.01 -0.10 1.32 0.11 -1.14 -4.94 120.40 112.98 1iba s VAL 63 Ca 0.41 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1iba s VAL 63 Cb -0.02 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1iba s VAL 63 CO 0.24 0.02 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.33 1iba s VAL 64 N 0.43 4.17 -0.34 2.04 1.01 -1.26 -1.10 120.40 125.34 1iba s VAL 64 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1iba s VAL 64 Cb -0.04 -2.77 0.15 0.00 0.00 0.00 0.00 36.38 33.72 1iba s VAL 64 CO -0.02 0.57 0.33 0.00 0.00 0.00 0.00 175.10 175.98 1iba s ALA 65 N -0.52 -0.29 -0.32 5.51 0.00 -0.26 -5.00 121.76 120.88 1iba s ALA 65 Ca 0.09 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1iba s ALA 65 Cb -0.12 -1.93 -0.12 0.00 0.00 0.00 0.00 23.12 20.95 1iba s ALA 65 CO 0.02 -2.01 1.33 0.41 0.00 0.00 0.00 175.76 175.51 1iba n GLY 66 N 4.55 -0.06 0.00 0.00 0.00 -1.26 0.61 105.19 109.03 1iba n GLY 66 Ca 0.07 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1iba n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iba n SER 67 N 4.48 0.00 0.00 1.61 3.41 -1.26 -5.09 113.62 116.77 1iba n SER 67 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1iba n SER 67 Cb -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1iba n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iba n GLY 68 N 0.00 0.63 2.87 5.00 0.00 0.20 -4.78 105.19 109.11 1iba n GLY 68 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1iba n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iba s VAL 69 N -2.00 0.17 0.35 1.61 1.01 -1.26 -1.10 120.40 119.18 1iba s VAL 69 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1iba s VAL 69 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1iba s VAL 69 CO 0.00 0.08 0.37 -1.10 0.00 0.00 0.00 175.10 174.45 1iba s GLN 70 N 0.36 2.79 -0.30 2.72 -1.52 -0.26 -0.79 119.66 122.66 1iba s GLN 70 Ca -0.03 -1.26 -0.06 0.00 -1.95 0.00 0.00 55.36 52.05 1iba s GLN 70 Cb -0.06 -2.56 0.16 0.00 -0.22 0.00 0.00 33.01 30.33 1iba s GLN 70 CO -0.01 0.02 0.62 0.00 -0.25 0.00 0.00 175.29 175.67 1iba s ALA 71 N -2.30 -2.12 0.13 6.09 0.00 -1.22 -2.86 121.76 119.48 1iba s ALA 71 Ca 0.44 2.09 0.03 0.00 0.00 0.00 0.00 51.96 54.52 1iba s ALA 71 Cb -0.06 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1iba s ALA 71 CO 0.28 -1.11 -0.07 0.42 0.00 0.00 0.00 175.76 175.29 1iba s ILE 72 N 2.87 0.89 0.04 0.00 1.09 -0.76 0.24 121.20 125.58 1iba s ILE 72 Ca 0.06 -2.00 -0.00 0.00 -1.10 0.00 0.00 60.65 57.62 1iba s ILE 72 Cb -0.13 -1.84 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1iba s ILE 72 CO -0.20 -0.74 -0.00 0.33 -0.10 0.00 0.00 174.94 174.23 1iba n PHE 73 N -0.15 0.00 0.00 3.97 -0.00 -1.19 -0.34 117.46 119.75 1iba n PHE 73 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1iba n PHE 73 Cb 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 39.48 40.09 1iba n PHE 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1iba n GLY 74 N 3.22 2.26 1.69 7.13 0.00 -1.25 -4.60 105.19 113.63 1iba n GLY 74 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1iba n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iba n THR 75 N 0.00 0.00 0.15 2.61 -1.04 -1.26 -4.91 114.28 109.83 1iba n THR 75 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1iba n THR 75 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1iba n THR 75 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1iba n LYS 76 N -2.39 0.08 -0.20 -2.82 4.01 -1.26 -3.55 118.16 112.03 1iba n LYS 76 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 1iba n LYS 76 Cb 0.00 -1.07 0.07 0.00 -0.51 0.00 0.00 35.03 33.51 1iba n LYS 76 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1iba h SER 77 N 0.00 -0.47 -1.00 4.39 0.87 -1.91 -0.78 113.55 114.66 1iba h SER 77 Ca 0.00 0.17 0.25 0.00 -1.23 0.00 0.00 61.79 60.98 1iba h SER 77 Cb 0.00 0.34 -0.13 0.00 -0.44 0.00 0.00 62.40 62.17 1iba h SER 77 CO 0.00 -0.17 0.58 0.44 -0.53 0.00 0.00 176.83 177.15 1iba h ASP 78 N 0.03 0.65 -0.16 6.23 3.32 -1.97 0.79 116.42 125.31 1iba h ASP 78 Ca 0.29 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 1iba h ASP 78 Cb 0.46 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1iba h ASP 78 CO -0.58 0.09 0.09 -1.13 -1.72 0.00 0.00 179.24 175.98 1iba h ASN 79 N 0.56 0.21 0.00 6.45 -1.24 -1.43 0.95 115.58 121.08 1iba h ASN 79 Ca 0.64 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.55 1iba h ASN 79 Cb 1.23 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1iba h ASN 79 CO -0.48 0.25 -0.00 0.25 -1.29 0.00 0.00 177.43 176.16 1iba h LEU 80 N 0.15 -0.00 -1.46 0.34 6.46 -0.50 -3.06 115.31 117.23 1iba h LEU 80 Ca 0.06 -0.80 0.29 0.00 -0.12 0.00 0.00 57.88 57.31 1iba h LEU 80 Cb 0.09 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 1iba h LEU 80 CO -0.01 0.80 0.71 0.50 -0.62 0.00 0.00 178.44 179.82 1iba h LYS 81 N -0.81 0.29 -0.61 1.25 3.64 0.39 0.73 116.57 121.44 1iba h LYS 81 Ca -0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1iba h LYS 81 Cb 0.80 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1iba h LYS 81 CO 0.00 0.19 0.38 1.15 -2.27 0.00 0.00 179.45 178.90 1iba h THR 82 N 0.30 1.08 -0.86 1.00 2.02 -0.70 0.24 112.91 115.99 1iba h THR 82 Ca 0.61 -0.26 0.15 0.00 0.77 0.00 0.00 66.41 67.68 1iba h THR 82 Cb 1.72 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 1iba h THR 82 CO -0.26 0.14 0.56 1.05 0.37 0.00 0.00 175.52 177.37 1iba h GLU 83 N 0.75 0.60 -0.12 6.66 4.11 0.51 -0.93 114.58 126.16 1iba h GLU 83 Ca 0.24 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 1iba h GLU 83 Cb 0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1iba h GLU 83 CO -0.10 0.39 -0.01 0.52 0.07 0.00 0.00 179.01 179.88 1iba h MET 84 N 0.61 0.21 -0.67 1.06 2.86 -0.58 -2.45 114.93 115.97 1iba h MET 84 Ca 0.43 -0.07 0.13 0.00 -2.06 0.00 0.00 59.70 58.13 1iba h MET 84 Cb 0.77 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.29 1iba h MET 84 CO -0.19 0.49 -0.24 0.22 1.06 0.00 0.00 176.91 178.25 1iba h ASP 85 N -0.08 -0.87 -0.67 1.22 3.58 0.13 0.10 116.42 119.84 1iba h ASP 85 Ca 0.03 0.22 0.14 0.00 0.42 0.00 0.00 57.03 57.84 1iba h ASP 85 Cb 0.40 0.50 -0.12 0.00 1.72 0.00 0.00 39.33 41.83 1iba h ASP 85 CO 0.01 -0.26 -0.04 -0.33 -2.88 0.00 0.00 179.24 175.73 1iba h GLU 86 N -0.06 0.08 -0.38 0.28 4.39 -0.85 -1.93 114.58 116.10 1iba h GLU 86 Ca 0.30 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.08 1iba h GLU 86 Cb 0.54 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.09 1iba h GLU 86 CO -0.72 0.05 -0.12 -0.92 -1.16 0.00 0.00 179.01 176.13 1iba h TYR 87 N 0.08 -0.29 -0.53 4.33 3.20 -0.39 0.77 116.97 124.15 1iba h TYR 87 Ca 0.35 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.17 1iba h TYR 87 Cb 0.57 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1iba h TYR 87 CO -0.43 -0.20 -0.01 0.82 -1.64 0.00 0.00 178.16 176.71 1iba h ILE 88 N -0.04 1.26 -0.30 1.81 5.03 -1.26 0.76 117.51 124.77 1iba h ILE 88 Ca 0.19 -1.11 -0.04 0.00 -0.12 0.00 0.00 64.86 63.78 1iba h ILE 88 Cb 0.32 0.93 -0.02 0.00 -3.03 0.00 0.00 36.82 35.03 1iba h ILE 88 CO -0.41 0.39 0.01 0.03 -0.68 0.00 0.00 178.15 177.49 1iba h ARG 89 N 0.81 0.46 0.00 2.37 3.08 -0.66 0.42 114.38 120.86 1iba h ARG 89 Ca 0.15 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1iba h ARG 89 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1iba h ARG 89 CO 0.03 0.48 -0.22 -0.97 -1.07 0.00 0.00 179.97 178.22 1iba h ASN 90 N 0.45 0.00 -0.45 7.04 -0.73 0.19 -3.30 115.58 118.77 1iba h ASN 90 Ca 0.10 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.94 1iba h ASN 90 Cb 0.28 0.00 -0.32 0.00 0.27 0.00 0.00 38.32 38.54 1iba h ASN 90 CO 0.01 0.22 -0.83 0.33 -0.37 0.00 0.00 177.43 176.79 1iba n PHE 91 N -3.20 1.58 0.00 0.67 7.35 0.25 -5.05 117.46 119.07 1iba n PHE 91 Ca 0.02 -1.88 0.00 0.00 -0.76 0.00 0.00 57.45 54.83 1iba n PHE 91 Cb 0.57 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41