#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 0.79 -0.39 3.04 0.00 -1.95 0.86 119.26 121.62 1iba h ALA 16 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1iba h ALA 16 Cb 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1iba h ALA 16 CO 0.00 -0.44 -0.38 -1.00 0.00 0.00 0.00 179.25 177.44 1iba h PRO 17 N 0.07 0.93 -0.03 0.00 0.13 -1.90 -1.26 132.00 129.94 1iba h PRO 17 Ca 0.44 -0.48 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1iba h PRO 17 Cb 0.77 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1iba h PRO 17 CO -0.74 1.14 -0.29 0.00 -0.23 0.00 0.00 178.00 177.88 1iba h ALA 18 N 0.80 1.47 0.06 -0.56 0.00 -1.57 -1.43 119.26 118.03 1iba h ALA 18 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1iba h ALA 18 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1iba h ALA 18 CO 0.09 0.39 -0.03 1.25 0.00 0.00 0.00 179.25 180.96 1iba h LEU 19 N 0.05 -0.07 -1.39 0.00 7.12 0.96 0.53 115.31 122.51 1iba h LEU 19 Ca 0.01 0.00 0.38 0.00 0.13 0.00 0.00 57.88 58.40 1iba h LEU 19 Cb 0.54 0.02 -0.12 0.00 -0.53 0.00 0.00 40.66 40.57 1iba h LEU 19 CO 0.04 0.11 0.78 1.62 -0.13 0.00 0.00 178.44 180.86 1iba h VAL 20 N -0.42 0.25 -0.58 1.05 3.04 -1.30 1.65 116.25 119.94 1iba h VAL 20 Ca -0.01 -0.06 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 1iba h VAL 20 Cb 0.07 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.38 1iba h VAL 20 CO 0.01 0.03 0.02 0.00 -1.01 0.00 0.00 177.57 176.63 1iba h ALA 21 N 1.61 0.78 -1.04 3.17 0.00 -1.20 -0.10 119.26 122.49 1iba h ALA 21 Ca 0.74 -0.30 0.30 0.00 0.00 0.00 0.00 54.91 55.66 1iba h ALA 21 Cb 2.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1iba h ALA 21 CO -0.38 0.60 0.93 0.00 0.00 0.00 0.00 179.25 180.40 1iba h ALA 22 N 0.98 2.92 0.00 0.00 0.00 0.48 0.12 119.26 123.76 1iba h ALA 22 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1iba h ALA 22 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1iba h ALA 22 CO 0.03 -1.47 -0.41 0.34 0.00 0.00 0.00 179.25 177.74 1iba n PHE 23 N -3.74 -0.33 0.32 0.00 7.35 -1.18 -4.65 117.46 115.23 1iba n PHE 23 Ca 0.23 0.06 0.15 0.00 -0.76 0.00 0.00 57.45 57.13 1iba n PHE 23 Cb 1.27 0.23 0.58 0.00 0.35 0.00 0.00 39.48 41.91 1iba n PHE 23 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1iba h GLY 24 N 0.00 0.00 -2.88 7.13 0.00 -1.11 -2.61 103.07 103.60 1iba h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iba h GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iba n GLY 25 N 0.15 2.48 3.12 4.60 0.00 0.41 -4.66 105.19 111.30 1iba n GLY 25 Ca 0.01 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1iba n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iba n LYS 26 N 1.05 3.42 -0.32 1.61 4.76 -0.98 -4.81 118.16 122.89 1iba n LYS 26 Ca 0.24 -3.53 0.23 0.00 -2.87 0.00 0.00 58.31 52.38 1iba n LYS 26 Cb 0.82 -3.05 0.51 0.00 -1.84 0.00 0.00 35.03 31.47 1iba n LYS 26 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1iba h GLU 27 N 6.41 0.38 -1.55 1.97 4.11 -1.87 0.86 114.58 124.90 1iba h GLU 27 Ca 0.39 -0.02 0.46 0.00 0.07 0.00 0.00 59.36 60.26 1iba h GLU 27 Cb 0.74 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 1iba h GLU 27 CO 1.50 0.25 1.08 -0.97 0.07 0.00 0.00 179.01 180.95 1iba h ASN 28 N 0.39 0.09 -0.07 3.06 -1.24 -1.98 -3.44 115.58 112.40 1iba h ASN 28 Ca 0.59 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.62 1iba h ASN 28 Cb 1.50 0.04 0.01 0.00 0.73 0.00 0.00 38.32 40.59 1iba h ASN 28 CO -0.29 -0.05 -0.06 -0.38 -1.29 0.00 0.00 177.43 175.37 1iba n ILE 29 N -4.24 0.00 -0.05 2.57 -0.00 0.29 -5.04 119.36 112.89 1iba n ILE 29 Ca 0.37 -0.02 -0.10 0.00 -0.00 0.00 0.00 62.75 63.00 1iba n ILE 29 Cb 1.60 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 41.21 1iba n ILE 29 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1iba n THR 30 N -0.08 1.23 -3.69 1.39 5.66 -1.26 -5.07 114.28 112.46 1iba n THR 30 Ca -0.00 0.08 -0.10 0.00 -3.05 0.00 0.00 64.05 60.98 1iba n THR 30 Cb 0.02 -1.94 -0.11 0.00 -1.55 0.00 0.00 70.33 66.76 1iba n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1iba s ASN 31 N -6.14 -0.45 0.40 1.09 2.20 -1.15 -5.08 114.94 105.80 1iba s ASN 31 Ca -0.20 0.90 0.08 0.00 -0.94 0.00 0.00 52.86 52.69 1iba s ASN 31 Cb 0.05 0.86 -0.08 0.00 -2.00 0.00 0.00 41.25 40.08 1iba s ASN 31 CO 0.27 -0.20 -0.00 -0.76 -2.94 0.00 0.00 177.10 173.47 1iba s LEU 32 N 1.62 2.86 -0.48 3.54 1.02 -1.26 -1.36 118.68 124.62 1iba s LEU 32 Ca -0.08 -1.32 0.05 0.00 0.02 0.00 0.00 54.13 52.80 1iba s LEU 32 Cb -0.09 -0.95 0.19 0.00 0.02 0.00 0.00 46.19 45.35 1iba s LEU 32 CO -0.13 -0.40 0.42 0.47 0.02 0.00 0.00 176.35 176.73 1iba n ASP 33 N -0.95 0.59 -4.76 2.29 9.92 -1.22 -4.93 116.55 117.49 1iba n ASP 33 Ca -0.05 -2.66 -0.35 0.00 -0.53 0.00 0.00 54.79 51.20 1iba n ASP 33 Cb 0.66 -0.61 0.02 0.00 -0.64 0.00 0.00 41.12 40.55 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 -0.59 2.60 0.16 2.24 0.00 -1.26 -2.48 121.76 122.42 1iba s ALA 34 Ca 0.32 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 1iba s ALA 34 Cb 0.05 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.85 1iba s ALA 34 CO -0.17 -1.00 1.06 0.00 0.00 0.00 0.00 175.76 175.65 1iba n ILE 36 N -0.67 0.00 -1.96 0.00 -0.00 -1.26 -2.15 119.36 113.32 1iba n ILE 36 Ca -0.03 0.74 -0.01 0.00 -0.00 0.00 0.00 62.75 63.45 1iba n ILE 36 Cb 0.60 -1.00 0.12 0.00 -0.00 0.00 0.00 39.64 39.36 1iba n ILE 36 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1iba n THR 37 N -2.21 1.74 -3.98 7.28 5.66 -1.26 -5.04 114.28 116.47 1iba n THR 37 Ca 0.00 -2.94 -0.15 0.00 -3.05 0.00 0.00 64.05 57.91 1iba n THR 37 Cb 0.00 -0.03 -0.15 0.00 -1.55 0.00 0.00 70.33 68.59 1iba n THR 37 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1iba s ARG 38 N -2.68 0.27 -0.15 1.09 3.52 -0.91 -2.33 118.95 117.76 1iba s ARG 38 Ca 0.39 -0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.92 1iba s ARG 38 Cb 0.38 -0.35 0.07 0.00 -1.56 0.00 0.00 34.95 33.49 1iba s ARG 38 CO -0.07 -0.03 0.29 -0.48 -0.81 0.00 0.00 175.30 174.19 1iba s LEU 39 N 0.46 -0.35 0.40 -0.88 0.05 0.29 0.90 118.68 119.55 1iba s LEU 39 Ca -0.04 0.60 0.08 0.00 0.05 0.00 0.00 54.13 54.81 1iba s LEU 39 Cb -0.07 0.79 0.00 0.00 -2.05 0.00 0.00 46.19 44.86 1iba s LEU 39 CO -0.01 -0.24 0.53 -0.13 -0.55 0.00 0.00 176.35 175.95 1iba s ARG 40 N 2.45 2.88 -0.40 1.48 0.52 -1.03 -2.99 118.95 121.85 1iba s ARG 40 Ca 0.01 -1.20 0.08 0.00 -0.52 0.00 0.00 55.73 54.10 1iba s ARG 40 Cb -0.12 -2.75 0.25 0.00 0.52 0.00 0.00 34.95 32.85 1iba s ARG 40 CO -0.09 -0.18 0.57 0.28 0.02 0.00 0.00 175.30 175.89 1iba n VAL 41 N -1.78 -0.60 -2.08 3.52 0.31 0.79 -3.39 118.33 115.10 1iba n VAL 41 Ca 0.06 -3.79 -0.42 0.00 -0.01 0.00 0.00 64.34 60.18 1iba n VAL 41 Cb 0.59 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 1iba n VAL 41 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iba s SER 42 N -1.29 5.92 0.17 4.52 0.15 -0.47 -4.01 113.70 118.69 1iba s SER 42 Ca 0.35 1.07 -0.11 0.00 0.70 0.00 0.00 55.95 57.96 1iba s SER 42 Cb 0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1iba s SER 42 CO -0.12 -1.73 0.35 0.68 1.20 0.00 0.00 173.24 173.62 1iba s VAL 43 N 6.82 0.06 -0.61 4.45 -7.23 -1.26 -2.92 120.40 119.70 1iba s VAL 43 Ca 0.74 -1.21 0.19 0.00 -1.81 0.00 0.00 61.98 59.89 1iba s VAL 43 Cb -0.19 -1.75 -0.24 0.00 0.56 0.00 0.00 36.38 34.76 1iba s VAL 43 CO 0.32 -0.26 0.69 0.00 -0.31 0.00 0.00 175.10 175.53 1iba n ALA 44 N -0.24 3.91 -1.15 1.32 0.00 -1.26 -4.74 120.51 118.35 1iba n ALA 44 Ca -0.08 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 1iba n ALA 44 Cb 0.63 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.27 1iba n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iba n ASP 45 N -1.70 1.07 -1.90 0.00 9.92 -1.26 -4.53 116.55 118.15 1iba n ASP 45 Ca 0.01 -2.43 -0.22 0.00 -0.53 0.00 0.00 54.79 51.62 1iba n ASP 45 Cb 0.37 -1.21 0.11 0.00 -0.64 0.00 0.00 41.12 39.75 1iba n ASP 45 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1iba n VAL 46 N 8.11 2.98 0.17 2.53 3.14 -1.26 -4.47 118.33 129.53 1iba n VAL 46 Ca 0.42 -3.12 -0.07 0.00 -2.96 0.00 0.00 64.34 58.61 1iba n VAL 46 Cb 0.45 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 32.36 1iba n VAL 46 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1iba h SER 47 N 1.64 -0.41 0.00 6.55 0.87 -2.01 -3.42 113.55 116.77 1iba h SER 47 Ca 0.44 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1iba h SER 47 Cb 1.50 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1iba h SER 47 CO 0.96 -0.10 -0.15 2.29 -0.53 0.00 0.00 176.83 179.31 1iba n LYS 48 N -4.34 0.00 -1.34 2.24 -0.00 -1.26 -5.12 118.16 108.33 1iba n LYS 48 Ca -0.06 -0.64 -0.51 0.00 -0.00 0.00 0.00 58.31 57.10 1iba n LYS 48 Cb 0.19 -0.49 -0.06 0.00 -0.00 0.00 0.00 35.03 34.67 1iba n LYS 48 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1iba n VAL 49 N 0.00 0.50 -2.26 0.58 3.14 -1.26 -4.77 118.33 114.26 1iba n VAL 49 Ca 0.00 -0.13 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 1iba n VAL 49 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1iba n VAL 49 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1iba n ASP 50 N 1.49 4.81 0.14 6.55 -0.08 -1.26 -4.64 116.55 123.56 1iba n ASP 50 Ca 0.18 -3.03 -0.24 0.00 -1.51 0.00 0.00 54.79 50.19 1iba n ASP 50 Cb 0.12 -1.54 -0.15 0.00 2.34 0.00 0.00 41.12 41.88 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 6.00 0.55 -1.00 -0.67 4.20 -1.96 -1.00 115.11 121.23 1iba h GLN 51 Ca 0.43 -0.90 0.29 0.00 0.06 0.00 0.00 58.65 58.53 1iba h GLN 51 Cb 0.66 0.33 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 1iba h GLN 51 CO 1.65 1.43 0.73 0.00 -0.67 0.00 0.00 178.83 181.97 1iba h ALA 52 N 0.19 2.95 0.18 3.87 0.00 -1.98 0.52 119.26 124.99 1iba h ALA 52 Ca -0.24 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 1iba h ALA 52 Cb 2.12 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.99 1iba h ALA 52 CO 0.27 -1.25 -1.76 0.78 0.00 0.00 0.00 179.25 177.29 1iba h GLY 53 N 0.00 0.43 2.00 0.00 0.00 -1.92 -3.38 103.07 100.20 1iba h GLY 53 Ca 0.48 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1iba h GLY 53 CO -0.01 0.96 0.00 -2.00 0.00 0.00 0.00 176.54 175.49 1iba h LEU 54 N 0.10 0.00 0.06 3.11 6.46 0.12 0.20 115.31 125.37 1iba h LEU 54 Ca -0.34 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.18 1iba h LEU 54 Cb 2.09 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 42.01 1iba h LEU 54 CO 0.17 0.00 -1.12 0.07 -0.62 0.00 0.00 178.44 176.93 1iba h LYS 55 N 0.00 0.12 0.00 1.25 -0.00 -0.62 0.31 116.57 117.63 1iba h LYS 55 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 60.65 60.44 1iba h LYS 55 Cb 0.38 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.68 1iba h LYS 55 CO 0.00 1.09 -1.86 0.36 -0.00 0.00 0.00 179.45 179.04 1iba n LYS 56 N -3.43 0.58 -0.06 0.07 2.85 -1.05 -2.14 118.16 114.97 1iba n LYS 56 Ca -0.04 -0.17 -0.07 0.00 -1.05 0.00 0.00 58.31 56.97 1iba n LYS 56 Cb 0.98 -1.51 -0.07 0.00 -0.65 0.00 0.00 35.03 33.77 1iba n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1iba n LEU 57 N -2.15 1.43 -0.10 -5.58 0.00 0.69 -4.79 117.00 106.49 1iba n LEU 57 Ca -0.03 -0.04 -0.23 0.00 0.00 0.00 0.00 56.01 55.71 1iba n LEU 57 Cb 0.53 -0.09 -0.11 0.00 0.00 0.00 0.00 43.42 43.75 1iba n LEU 57 CO 0.45 0.49 -0.75 0.61 0.00 0.00 0.00 177.39 178.18 1iba n GLY 58 N 2.58 -0.73 0.00 -3.96 0.00 -0.23 -4.81 105.19 98.05 1iba n GLY 58 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.56 0.00 -2.84 4.61 0.00 0.93 -4.89 120.51 114.77 1iba n ALA 59 Ca -0.37 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.96 1iba n ALA 59 Cb 0.76 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.26 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 1.11 0.00 0.00 0.00 0.81 -3.79 120.51 115.64 1iba n ALA 60 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1iba n ALA 60 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.07 -0.36 3.79 0.00 0.00 0.44 -3.15 105.19 105.98 1iba n GLY 61 Ca 0.10 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 2.54 -0.07 1.61 -7.23 -1.26 -1.73 120.40 114.26 1iba s VAL 62 Ca 0.00 -1.57 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1iba s VAL 62 Cb 0.00 -3.00 0.03 0.00 0.56 0.00 0.00 36.38 33.97 1iba s VAL 62 CO 0.00 -0.03 0.17 0.68 -0.31 0.00 0.00 175.10 175.62 1iba s VAL 63 N -2.53 -0.02 -0.18 1.32 -7.23 -0.63 -4.95 120.40 106.18 1iba s VAL 63 Ca 0.43 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1iba s VAL 63 Cb 0.00 -0.26 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1iba s VAL 63 CO 0.24 0.03 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.35 1iba s VAL 64 N 0.57 3.85 -0.33 1.32 1.01 -1.26 -0.50 120.40 125.06 1iba s VAL 64 Ca -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1iba s VAL 64 Cb -0.05 -2.71 0.13 0.00 0.00 0.00 0.00 36.38 33.74 1iba s VAL 64 CO -0.03 0.46 0.19 0.00 0.00 0.00 0.00 175.10 175.72 1iba s ALA 65 N 0.69 0.84 -0.26 5.51 0.00 0.00 -5.01 121.76 123.54 1iba s ALA 65 Ca -0.01 -1.63 -0.23 0.00 0.00 0.00 0.00 51.96 50.09 1iba s ALA 65 Cb -0.14 -1.54 -0.10 0.00 0.00 0.00 0.00 23.12 21.34 1iba s ALA 65 CO 0.02 -1.97 1.04 0.41 0.00 0.00 0.00 175.76 175.27 1iba n GLY 66 N 4.41 -0.04 0.00 0.00 0.00 -1.26 0.48 105.19 108.78 1iba n GLY 66 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1iba n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iba n SER 67 N 3.48 0.00 -3.60 1.61 7.64 -1.26 -5.08 113.62 116.41 1iba n SER 67 Ca 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 1iba n SER 67 Cb -0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1iba n SER 67 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1iba s GLY 68 N -1.04 -0.32 -0.10 0.23 0.00 0.18 -4.80 107.32 101.46 1iba s GLY 68 Ca 0.00 1.35 -0.02 0.00 0.00 0.00 0.00 44.72 46.05 1iba s GLY 68 CO 0.00 0.42 0.02 0.14 0.00 0.00 0.00 173.10 173.68 1iba s VAL 69 N -2.41 0.29 0.47 1.40 1.01 -1.26 -0.82 120.40 119.09 1iba s VAL 69 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1iba s VAL 69 Cb 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1iba s VAL 69 CO -0.04 0.11 0.81 -1.58 0.00 0.00 0.00 175.10 174.40 1iba s GLN 70 N 2.00 3.64 -0.16 2.72 0.74 0.35 -0.14 119.66 128.80 1iba s GLN 70 Ca 0.04 0.38 -0.08 0.00 0.05 0.00 0.00 55.36 55.74 1iba s GLN 70 Cb -0.13 -2.34 0.06 0.00 1.10 0.00 0.00 33.01 31.70 1iba s GLN 70 CO -0.06 -0.19 0.37 0.00 -0.55 0.00 0.00 175.29 174.86 1iba s ALA 71 N -2.66 -0.93 0.00 1.58 0.00 -1.16 -1.61 121.76 116.97 1iba s ALA 71 Ca 0.50 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.72 1iba s ALA 71 Cb -0.10 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1iba s ALA 71 CO 0.41 -0.38 0.23 0.42 0.00 0.00 0.00 175.76 176.44 1iba s ILE 72 N 1.70 0.08 -0.59 0.00 1.09 -0.70 -0.55 121.20 122.22 1iba s ILE 72 Ca -0.07 -0.64 0.06 0.00 -1.10 0.00 0.00 60.65 58.91 1iba s ILE 72 Cb -0.10 -0.62 0.25 0.00 -1.06 0.00 0.00 42.46 40.93 1iba s ILE 72 CO -0.12 -0.35 0.69 2.22 -0.10 0.00 0.00 174.94 177.28 1iba n PHE 73 N 1.20 2.81 0.00 3.97 -1.74 -0.99 -0.13 117.46 122.57 1iba n PHE 73 Ca -0.21 -4.04 0.00 0.00 -0.56 0.00 0.00 57.45 52.64 1iba n PHE 73 Cb 0.56 -0.51 0.00 0.00 1.52 0.00 0.00 39.48 41.05 1iba n PHE 73 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1iba n GLY 74 N 1.03 0.00 0.06 4.97 0.00 -1.19 -2.80 105.19 107.26 1iba n GLY 74 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 1iba n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1iba n THR 75 N 0.00 0.78 0.37 2.61 5.66 -1.26 -4.47 114.28 117.97 1iba n THR 75 Ca 0.00 -0.67 0.04 0.00 -3.05 0.00 0.00 64.05 60.37 1iba n THR 75 Cb 0.00 -0.29 0.19 0.00 -1.55 0.00 0.00 70.33 68.68 1iba n THR 75 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1iba n LYS 76 N -2.50 0.13 -0.21 1.09 4.76 -1.26 -3.25 118.16 116.91 1iba n LYS 76 Ca -0.20 0.18 0.21 0.00 -2.87 0.00 0.00 58.31 55.63 1iba n LYS 76 Cb 0.88 -1.50 0.38 0.00 -1.84 0.00 0.00 35.03 32.96 1iba n LYS 76 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iba n SER 77 N -1.23 0.23 0.02 4.39 2.88 -1.12 0.10 113.62 118.87 1iba n SER 77 Ca 0.04 1.07 -0.10 0.00 -1.33 0.00 0.00 58.87 58.55 1iba n SER 77 Cb 0.05 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1iba n SER 77 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1iba h ASP 78 N 0.00 -0.20 -0.74 -3.46 5.19 -1.89 0.48 116.42 115.80 1iba h ASP 78 Ca 0.55 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.99 1iba h ASP 78 Cb 1.47 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 41.05 1iba h ASP 78 CO -0.50 -0.09 0.40 -1.13 -3.12 0.00 0.00 179.24 174.80 1iba h ASN 79 N -0.08 0.93 -0.02 6.45 -1.24 0.36 -2.46 115.58 119.52 1iba h ASN 79 Ca 0.05 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 56.90 1iba h ASN 79 Cb 0.15 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1iba h ASN 79 CO -0.12 0.76 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.50 1iba h LEU 80 N 1.02 0.22 -1.36 0.34 -0.00 -0.83 -2.65 115.31 112.06 1iba h LEU 80 Ca 0.26 -0.72 0.29 0.00 -0.00 0.00 0.00 57.88 57.71 1iba h LEU 80 Cb 0.05 -0.07 -0.10 0.00 -0.00 0.00 0.00 40.66 40.54 1iba h LEU 80 CO -0.04 0.90 0.69 0.11 -0.00 0.00 0.00 178.44 180.10 1iba h LYS 81 N -0.44 0.34 -0.28 1.13 1.57 -0.06 0.82 116.57 119.64 1iba h LYS 81 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1iba h LYS 81 Cb 0.92 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1iba h LYS 81 CO 0.04 0.23 0.15 1.15 -0.57 0.00 0.00 179.45 180.44 1iba h THR 82 N 0.35 1.14 -0.82 -0.16 2.02 -1.17 0.91 112.91 115.19 1iba h THR 82 Ca 0.63 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1iba h THR 82 Cb 1.64 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 1iba h THR 82 CO -0.32 0.14 0.44 -0.33 0.37 0.00 0.00 175.52 175.82 1iba h GLU 83 N 0.33 1.15 -0.38 6.66 4.39 0.74 -1.13 114.58 126.34 1iba h GLU 83 Ca 0.10 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1iba h GLU 83 Cb 0.09 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1iba h GLU 83 CO -0.01 0.85 -0.14 0.52 -1.16 0.00 0.00 179.01 179.07 1iba h MET 84 N 1.15 0.68 -0.60 2.33 2.86 0.08 -2.52 114.93 118.91 1iba h MET 84 Ca 0.29 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1iba h MET 84 Cb 0.04 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 1iba h MET 84 CO -0.04 0.79 0.31 0.22 1.06 0.00 0.00 176.91 179.25 1iba h ASP 85 N 0.62 0.44 -0.19 1.22 3.58 0.20 -0.17 116.42 122.12 1iba h ASP 85 Ca 0.10 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.63 1iba h ASP 85 Cb 0.59 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 1iba h ASP 85 CO 0.04 0.29 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.30 1iba h GLU 86 N 0.58 -0.01 -0.62 0.28 5.08 -0.91 -1.86 114.58 117.12 1iba h GLU 86 Ca 0.27 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 1iba h GLU 86 Cb 0.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1iba h GLU 86 CO -0.18 -0.01 -0.49 -0.92 -1.00 0.00 0.00 179.01 176.40 1iba h TYR 87 N -0.01 -1.55 -0.52 4.33 3.20 -0.62 0.99 116.97 122.78 1iba h TYR 87 Ca 0.10 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1iba h TYR 87 Cb 0.16 0.76 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1iba h TYR 87 CO -0.22 -0.37 0.26 0.82 -1.64 0.00 0.00 178.16 177.02 1iba h ILE 88 N -0.16 1.19 -0.16 1.81 5.03 -1.30 0.23 117.51 124.15 1iba h ILE 88 Ca 0.10 -0.52 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1iba h ILE 88 Cb 0.43 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 1iba h ILE 88 CO -0.67 0.21 0.06 0.03 -0.68 0.00 0.00 178.15 177.11 1iba h ARG 89 N 0.69 0.21 0.00 2.37 3.08 -0.39 0.20 114.38 120.55 1iba h ARG 89 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1iba h ARG 89 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1iba h ARG 89 CO -0.02 0.18 -0.15 -0.97 -1.07 0.00 0.00 179.97 177.93 1iba h ASN 90 N 0.22 0.00 -0.50 7.04 -0.73 0.27 -3.34 115.58 118.54 1iba h ASN 90 Ca 0.06 -0.02 -0.34 0.00 1.87 0.00 0.00 56.30 57.86 1iba h ASN 90 Cb 0.05 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 38.25 1iba h ASN 90 CO -0.01 0.01 -0.96 0.33 -0.37 0.00 0.00 177.43 176.43 1iba n PHE 91 N -2.67 1.67 0.41 0.67 7.35 0.64 -5.05 117.46 120.48 1iba n PHE 91 Ca 0.04 -2.02 0.03 0.00 -0.76 0.00 0.00 57.45 54.75 1iba n PHE 91 Cb 0.49 -0.27 0.20 0.00 0.35 0.00 0.00 39.48 40.24 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41