#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 0.37 0.00 3.17 0.00 -2.01 -2.66 119.26 118.13 1iba h ALA 16 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1iba h ALA 16 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1iba h ALA 16 CO 0.00 -0.43 -0.91 -1.00 0.00 0.00 0.00 179.25 176.91 1iba h PRO 17 N 0.04 0.00 -1.18 0.00 0.13 -1.95 -3.22 132.00 125.83 1iba h PRO 17 Ca 0.24 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.70 1iba h PRO 17 Cb 0.36 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.43 1iba h PRO 17 CO -0.46 0.00 0.82 0.00 -0.23 0.00 0.00 178.00 178.13 1iba h ALA 18 N 2.02 2.91 0.31 -0.56 0.00 -1.90 0.30 119.26 122.35 1iba h ALA 18 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iba h ALA 18 Cb 0.99 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1iba h ALA 18 CO 0.00 -1.28 -0.25 1.25 0.00 0.00 0.00 179.25 178.97 1iba h LEU 19 N 0.10 -0.67 -1.21 0.00 7.12 -1.52 0.66 115.31 119.80 1iba h LEU 19 Ca 0.59 0.05 0.33 0.00 0.13 0.00 0.00 57.88 58.98 1iba h LEU 19 Cb 2.13 0.21 -0.13 0.00 -0.53 0.00 0.00 40.66 42.35 1iba h LEU 19 CO -0.10 -0.35 0.67 1.62 -0.13 0.00 0.00 178.44 180.16 1iba h VAL 20 N -0.54 0.32 -0.63 1.05 3.04 -0.63 0.64 116.25 119.50 1iba h VAL 20 Ca -0.04 -0.10 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 1iba h VAL 20 Cb 0.46 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.72 1iba h VAL 20 CO 0.00 0.05 0.13 0.00 -1.01 0.00 0.00 177.57 176.74 1iba h ALA 21 N 1.71 1.03 -0.08 3.17 0.00 -0.42 -1.73 119.26 122.94 1iba h ALA 21 Ca 0.72 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.40 1iba h ALA 21 Cb 1.85 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1iba h ALA 21 CO -0.46 0.63 0.40 0.00 0.00 0.00 0.00 179.25 179.82 1iba h ALA 22 N 1.17 1.53 0.00 0.00 0.00 0.26 0.12 119.26 122.35 1iba h ALA 22 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1iba h ALA 22 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iba h ALA 22 CO 0.01 -0.45 -0.25 0.34 0.00 0.00 0.00 179.25 178.90 1iba n PHE 23 N -3.01 -0.66 0.17 0.00 7.35 -1.17 -4.54 117.46 115.59 1iba n PHE 23 Ca -0.00 0.12 0.05 0.00 -0.76 0.00 0.00 57.45 56.86 1iba n PHE 23 Cb 0.47 0.28 0.49 0.00 0.35 0.00 0.00 39.48 41.08 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 0.17 -0.83 7.13 0.00 -1.44 -2.02 103.07 106.08 1iba h GLY 24 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1iba h GLY 24 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1iba n GLY 25 N -1.19 0.29 3.58 4.60 0.00 0.40 -4.64 105.19 108.23 1iba n GLY 25 Ca -0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.77 3.09 0.42 1.61 -0.14 -0.76 -4.78 119.74 117.40 1iba s LYS 26 Ca 0.32 -1.40 0.17 0.00 -1.36 0.00 0.00 55.97 53.70 1iba s LYS 26 Cb 0.17 -5.34 1.07 0.00 -1.68 0.00 0.00 37.83 32.05 1iba s LYS 26 CO 0.25 -3.23 1.87 1.05 -0.76 0.00 0.00 175.35 174.53 1iba h GLU 27 N 9.08 0.40 -1.19 1.68 4.11 -1.87 -0.23 114.58 126.57 1iba h GLU 27 Ca 0.29 -0.02 0.35 0.00 0.07 0.00 0.00 59.36 60.04 1iba h GLU 27 Cb 0.92 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1iba h GLU 27 CO 1.32 0.27 0.88 -0.97 0.07 0.00 0.00 179.01 180.58 1iba h ASN 28 N 0.42 0.00 -0.31 3.06 -1.24 -1.97 -3.45 115.58 112.09 1iba h ASN 28 Ca 0.45 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.38 1iba h ASN 28 Cb 1.11 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.19 1iba h ASN 28 CO -0.17 0.00 -0.24 -0.38 -1.29 0.00 0.00 177.43 175.36 1iba n ILE 29 N -4.11 0.00 -0.05 2.57 -0.00 -0.10 -5.02 119.36 112.64 1iba n ILE 29 Ca 0.26 -0.08 -0.05 0.00 -0.00 0.00 0.00 62.75 62.88 1iba n ILE 29 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.90 1iba n ILE 29 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iba n THR 30 N -0.31 0.93 -3.67 1.39 -2.24 -1.26 -5.05 114.28 104.07 1iba n THR 30 Ca 0.00 0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1iba n THR 30 Cb 0.08 -2.04 -0.12 0.00 -2.10 0.00 0.00 70.33 66.15 1iba n THR 30 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1iba s ASN 31 N -5.13 0.15 0.42 3.42 0.01 -1.23 -5.11 114.94 107.47 1iba s ASN 31 Ca -0.16 0.66 0.07 0.00 -0.71 0.00 0.00 52.86 52.72 1iba s ASN 31 Cb 0.02 0.77 -0.06 0.00 0.41 0.00 0.00 41.25 42.40 1iba s ASN 31 CO 0.24 -0.23 0.10 -0.76 -1.51 0.00 0.00 177.10 174.94 1iba s LEU 32 N 2.27 2.95 -0.44 0.60 1.02 -1.26 -2.21 118.68 121.61 1iba s LEU 32 Ca -0.01 -1.24 0.10 0.00 0.02 0.00 0.00 54.13 52.99 1iba s LEU 32 Cb -0.12 -1.16 0.34 0.00 0.02 0.00 0.00 46.19 45.27 1iba s LEU 32 CO -0.09 -0.54 0.78 0.47 0.02 0.00 0.00 176.35 176.98 1iba n ASP 33 N -1.14 1.88 -4.76 2.29 9.92 -1.23 -4.94 116.55 118.57 1iba n ASP 33 Ca -0.04 -3.19 -0.39 0.00 -0.53 0.00 0.00 54.79 50.64 1iba n ASP 33 Cb 0.66 -0.61 0.01 0.00 -0.64 0.00 0.00 41.12 40.54 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 -2.64 3.14 0.04 2.24 0.00 -1.26 -3.91 121.76 119.36 1iba s ALA 34 Ca 0.42 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 1iba s ALA 34 Cb 0.31 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.99 1iba s ALA 34 CO -0.10 -1.07 1.02 0.00 0.00 0.00 0.00 175.76 175.61 1iba n ILE 36 N -0.37 0.00 -0.76 0.00 -0.00 -1.26 -1.18 119.36 115.79 1iba n ILE 36 Ca -0.07 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.77 1iba n ILE 36 Cb 0.61 0.00 0.36 0.00 -0.00 0.00 0.00 39.64 40.61 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 0.00 2.21 -5.08 7.28 5.66 -1.26 -4.95 114.28 118.14 1iba n THR 37 Ca 0.00 -1.35 -0.32 0.00 -3.05 0.00 0.00 64.05 59.33 1iba n THR 37 Cb 0.00 -0.05 -0.16 0.00 -1.55 0.00 0.00 70.33 68.57 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 -2.28 2.92 0.16 1.09 6.06 -0.33 -1.47 118.95 125.10 1iba s ARG 38 Ca 0.51 -0.82 -0.02 0.00 -2.50 0.00 0.00 55.73 52.89 1iba s ARG 38 Cb 0.36 -2.35 -0.04 0.00 0.06 0.00 0.00 34.95 32.98 1iba s ARG 38 CO 0.19 0.30 0.12 -0.48 -2.50 0.00 0.00 175.30 172.94 1iba s LEU 39 N 0.06 1.41 0.14 -0.88 0.05 0.14 0.69 118.68 120.28 1iba s LEU 39 Ca -0.08 -1.22 -0.15 0.00 0.05 0.00 0.00 54.13 52.72 1iba s LEU 39 Cb -0.15 0.48 0.02 0.00 -2.05 0.00 0.00 46.19 44.49 1iba s LEU 39 CO 0.05 -0.80 0.38 -0.13 -0.55 0.00 0.00 176.35 175.31 1iba s ARG 40 N -4.08 1.11 -0.39 1.48 1.81 -1.25 0.42 118.95 118.05 1iba s ARG 40 Ca 0.29 -0.83 0.11 0.00 -1.72 0.00 0.00 55.73 53.58 1iba s ARG 40 Cb 0.07 0.45 0.34 0.00 -0.45 0.00 0.00 34.95 35.36 1iba s ARG 40 CO 0.05 -0.43 0.74 0.28 -0.68 0.00 0.00 175.30 175.27 1iba n VAL 41 N -0.23 0.17 -2.16 3.52 0.31 -0.79 -3.55 118.33 115.60 1iba n VAL 41 Ca -0.14 -4.68 -0.30 0.00 -0.01 0.00 0.00 64.34 59.22 1iba n VAL 41 Cb 0.63 -0.46 -0.05 0.00 -0.91 0.00 0.00 33.84 33.06 1iba n VAL 41 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1iba s SER 42 N -2.49 5.44 0.12 4.52 1.04 -0.94 -4.00 113.70 117.39 1iba s SER 42 Ca 0.41 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.81 1iba s SER 42 Cb 0.33 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.87 1iba s SER 42 CO -0.09 -2.50 0.17 0.68 0.98 0.00 0.00 173.24 172.48 1iba s VAL 43 N 9.03 0.12 -0.84 5.02 -7.23 -1.26 -3.56 120.40 121.68 1iba s VAL 43 Ca 0.65 -1.50 0.24 0.00 -1.81 0.00 0.00 61.98 59.56 1iba s VAL 43 Cb -0.05 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 1iba s VAL 43 CO -0.01 -0.52 1.23 0.00 -0.31 0.00 0.00 175.10 175.49 1iba n ALA 44 N -0.10 3.56 -1.67 1.32 0.00 -1.26 -4.60 120.51 117.75 1iba n ALA 44 Ca -0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.77 1iba n ALA 44 Cb 0.63 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.72 1.81 -2.36 0.00 9.92 -1.26 -4.60 116.55 118.33 1iba n ASP 45 Ca 0.04 -2.55 -0.34 0.00 -0.53 0.00 0.00 54.79 51.41 1iba n ASP 45 Cb 0.38 -1.69 0.06 0.00 -0.64 0.00 0.00 41.12 39.23 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 8.67 3.43 -2.21 2.53 3.14 -1.26 -4.82 118.33 127.80 1iba n VAL 46 Ca 0.42 -3.35 -0.43 0.00 -2.96 0.00 0.00 64.34 58.03 1iba n VAL 46 Cb 0.47 -1.17 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 1iba n VAL 46 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1iba n SER 47 N -0.83 4.62 -4.09 6.55 2.88 -1.26 -4.49 113.62 117.00 1iba n SER 47 Ca 0.58 -2.97 -0.36 0.00 -1.33 0.00 0.00 58.87 54.80 1iba n SER 47 Cb 0.65 -1.59 -0.03 0.00 -0.75 0.00 0.00 64.21 62.49 1iba n SER 47 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iba n LYS 48 N 5.52 -1.14 -1.84 -1.46 4.01 -1.26 -4.73 118.16 117.26 1iba n LYS 48 Ca 0.45 0.18 -0.40 0.00 -0.51 0.00 0.00 58.31 58.03 1iba n LYS 48 Cb 0.39 -3.44 -0.01 0.00 -0.51 0.00 0.00 35.03 31.47 1iba n LYS 48 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1iba n VAL 49 N -4.68 4.91 -2.71 -0.18 3.14 -1.26 -4.75 118.33 112.80 1iba n VAL 49 Ca -0.22 -3.87 0.00 0.00 -2.96 0.00 0.00 64.34 57.29 1iba n VAL 49 Cb 0.64 -2.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.17 1iba n VAL 49 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1iba n ASP 50 N 2.45 0.00 0.05 6.55 5.68 -1.26 -4.72 116.55 125.31 1iba n ASP 50 Ca 0.65 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.73 1iba n ASP 50 Cb 0.25 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.12 1iba n ASP 50 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1iba h GLN 51 N 2.09 0.58 -0.02 0.11 4.20 -1.98 -0.55 115.11 119.54 1iba h GLN 51 Ca 0.00 -0.70 0.01 0.00 0.06 0.00 0.00 58.65 58.01 1iba h GLN 51 Cb 0.00 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1iba h GLN 51 CO 0.00 1.30 0.17 0.00 -0.67 0.00 0.00 178.83 179.62 1iba h ALA 52 N 0.31 1.24 0.10 3.87 0.00 -1.99 0.03 119.26 122.82 1iba h ALA 52 Ca -0.14 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 1iba h ALA 52 Cb 1.70 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1iba h ALA 52 CO 0.20 -0.18 -1.81 0.78 0.00 0.00 0.00 179.25 178.24 1iba h GLY 53 N 0.00 0.23 2.00 0.00 0.00 -1.78 -3.39 103.07 100.13 1iba h GLY 53 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1iba h GLY 53 CO -0.00 0.53 0.00 -0.10 0.00 0.00 0.00 176.54 176.97 1iba n LEU 54 N -3.37 0.28 0.06 3.11 0.00 -0.08 -0.42 117.00 116.58 1iba n LEU 54 Ca -0.24 0.55 -0.12 0.00 0.00 0.00 0.00 56.01 56.20 1iba n LEU 54 Cb 1.05 -0.49 -0.13 0.00 0.00 0.00 0.00 43.42 43.85 1iba n LEU 54 CO 0.46 -0.23 -0.12 0.07 0.00 0.00 0.00 177.39 177.56 1iba h LYS 55 N 0.00 0.13 0.00 1.96 -0.00 -1.54 0.42 116.57 117.54 1iba h LYS 55 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 60.65 60.42 1iba h LYS 55 Cb 0.43 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.74 1iba h LYS 55 CO 0.00 1.02 -1.75 0.36 -0.00 0.00 0.00 179.45 179.08 1iba n LYS 56 N -3.38 0.51 -0.03 0.07 2.85 -1.14 -0.71 118.16 116.33 1iba n LYS 56 Ca -0.09 -0.15 -0.01 0.00 -1.05 0.00 0.00 58.31 57.01 1iba n LYS 56 Cb 1.00 -1.51 -0.06 0.00 -0.65 0.00 0.00 35.03 33.81 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 -2.07 0.00 -0.13 -5.58 0.00 0.44 -4.77 117.00 104.89 1iba n LEU 57 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.79 1iba n LEU 57 Cb 0.51 0.14 -0.12 0.00 0.00 0.00 0.00 43.42 43.95 1iba n LEU 57 CO 0.45 0.14 -1.36 0.61 0.00 0.00 0.00 177.39 177.22 1iba n GLY 58 N 2.36 -0.37 0.00 -3.96 0.00 -0.22 -4.82 105.19 98.18 1iba n GLY 58 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.44 0.00 -2.73 4.61 0.00 0.13 -4.84 120.51 114.24 1iba n ALA 59 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 1iba n ALA 59 Cb 0.97 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.49 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 2.66 0.00 0.00 0.00 0.21 -3.96 120.51 116.41 1iba n ALA 60 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.18 1iba n ALA 60 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.64 2.86 3.44 0.00 0.00 -0.38 -4.75 105.19 105.71 1iba n GLY 61 Ca 0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 0.89 -0.12 1.61 -7.23 -1.26 0.13 120.40 114.43 1iba s VAL 62 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1iba s VAL 62 Cb 0.00 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.36 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 -3.37 -0.14 -0.22 1.32 0.11 0.10 -4.96 120.40 113.23 1iba s VAL 63 Ca 0.33 0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 59.48 1iba s VAL 63 Cb 0.07 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1iba s VAL 63 CO 0.15 0.07 0.10 -0.69 -3.33 0.00 0.00 175.10 171.40 1iba s VAL 64 N 1.59 4.83 -0.44 2.04 1.01 -1.26 -1.33 120.40 126.84 1iba s VAL 64 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1iba s VAL 64 Cb -0.11 -3.23 0.16 0.00 0.00 0.00 0.00 36.38 33.20 1iba s VAL 64 CO -0.09 0.38 0.33 0.00 0.00 0.00 0.00 175.10 175.72 1iba s ALA 65 N 1.03 1.70 -0.05 5.51 0.00 0.07 -5.01 121.76 125.00 1iba s ALA 65 Ca 0.05 -2.55 -0.05 0.00 0.00 0.00 0.00 51.96 49.42 1iba s ALA 65 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1iba s ALA 65 CO 0.04 -2.02 0.22 0.41 0.00 0.00 0.00 175.76 174.41 1iba n GLY 66 N 2.98 -0.01 0.00 0.00 0.00 -1.26 0.12 105.19 107.02 1iba n GLY 66 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1iba n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iba n SER 67 N 0.78 0.00 -3.51 1.61 2.88 -1.26 -5.07 113.62 109.05 1iba n SER 67 Ca 0.06 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1iba n SER 67 Cb -0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1iba n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1iba s GLY 68 N -0.69 -0.46 0.04 0.46 0.00 0.12 -4.71 107.32 102.08 1iba s GLY 68 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 44.72 45.86 1iba s GLY 68 CO 0.00 0.45 -0.05 0.14 0.00 0.00 0.00 173.10 173.64 1iba s VAL 69 N -2.79 0.36 0.03 1.40 1.01 -1.26 -0.75 120.40 118.40 1iba s VAL 69 Ca 0.03 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1iba s VAL 69 Cb -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1iba s VAL 69 CO -0.07 -0.59 -0.09 -1.10 0.00 0.00 0.00 175.10 173.26 1iba s GLN 70 N -2.22 0.60 -0.08 2.72 -0.21 -0.44 -1.88 119.66 118.15 1iba s GLN 70 Ca -0.06 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.71 1iba s GLN 70 Cb -0.05 -0.49 0.04 0.00 1.00 0.00 0.00 33.01 33.51 1iba s GLN 70 CO -0.02 0.12 0.09 0.00 -2.12 0.00 0.00 175.29 173.35 1iba s ALA 71 N -0.85 0.17 -0.15 6.09 0.00 0.17 -0.73 121.76 126.46 1iba s ALA 71 Ca -0.03 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1iba s ALA 71 Cb -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1iba s ALA 71 CO 0.00 -0.66 -0.21 0.42 0.00 0.00 0.00 175.76 175.32 1iba s ILE 72 N 2.20 1.99 -0.83 0.00 1.09 0.12 0.24 121.20 126.00 1iba s ILE 72 Ca 0.04 -0.92 0.23 0.00 -1.10 0.00 0.00 60.65 58.90 1iba s ILE 72 Cb -0.13 -1.77 -0.08 0.00 -1.06 0.00 0.00 42.46 39.41 1iba s ILE 72 CO -0.05 0.53 1.16 2.22 -0.10 0.00 0.00 174.94 178.70 1iba n PHE 73 N 4.25 0.13 -4.39 3.97 -1.74 -0.54 0.63 117.46 119.77 1iba n PHE 73 Ca -0.20 0.04 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 1iba n PHE 73 Cb 0.51 -0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 1.44 0.32 0.24 4.97 0.00 -1.24 -1.11 105.19 109.81 1iba n GLY 74 Ca 0.04 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.28 1iba n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iba h THR 75 N 0.00 1.03 -0.02 2.61 1.03 -1.97 -2.52 112.91 113.07 1iba h THR 75 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1iba h THR 75 Cb 0.00 1.25 -0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1iba h THR 75 CO 0.00 0.13 0.29 0.50 -0.01 0.00 0.00 175.52 176.43 1iba h LYS 76 N 0.00 0.00 -0.49 0.00 1.63 -1.88 -3.11 116.57 112.73 1iba h LYS 76 Ca -0.00 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.99 1iba h LYS 76 Cb 0.24 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.78 1iba h LYS 76 CO 0.02 0.00 0.21 -1.13 -3.45 0.00 0.00 179.45 175.09 1iba n SER 77 N -2.96 0.12 -0.17 4.20 3.41 -0.26 0.78 113.62 118.74 1iba n SER 77 Ca -0.02 0.81 -0.08 0.00 -0.26 0.00 0.00 58.87 59.33 1iba n SER 77 Cb 0.34 -0.37 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1iba n SER 77 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1iba h ASP 78 N 0.00 0.63 -0.14 4.04 5.19 -1.84 0.31 116.42 124.61 1iba h ASP 78 Ca 0.39 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1iba h ASP 78 Cb 0.99 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 1iba h ASP 78 CO -0.39 0.54 -0.10 -1.13 -3.12 0.00 0.00 179.24 175.04 1iba h ASN 79 N 0.67 0.45 0.01 6.45 -1.24 0.09 0.17 115.58 122.19 1iba h ASN 79 Ca 0.18 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1iba h ASN 79 Cb 0.06 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1iba h ASN 79 CO -0.03 0.59 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.63 1iba h LEU 80 N 0.44 -0.01 -0.71 0.34 -0.00 -1.12 -2.92 115.31 111.33 1iba h LEU 80 Ca 0.09 -0.78 0.16 0.00 -0.00 0.00 0.00 57.88 57.35 1iba h LEU 80 Cb 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.99 1iba h LEU 80 CO 0.02 0.80 0.08 0.11 -0.00 0.00 0.00 178.44 179.46 1iba h LYS 81 N -0.86 0.17 -0.95 1.13 1.57 -0.40 0.24 116.57 117.47 1iba h LYS 81 Ca -0.00 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.99 1iba h LYS 81 Cb 0.79 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.94 1iba h LYS 81 CO 0.00 0.11 0.52 1.15 -0.57 0.00 0.00 179.45 180.66 1iba h THR 82 N 0.18 0.56 -0.67 -0.16 2.02 -0.87 0.80 112.91 114.77 1iba h THR 82 Ca 0.39 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 1iba h THR 82 Cb 0.68 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1iba h THR 82 CO -0.56 0.10 0.11 -0.33 0.37 0.00 0.00 175.52 175.20 1iba h GLU 83 N 0.55 1.10 0.05 6.66 4.39 -0.37 -2.15 114.58 124.82 1iba h GLU 83 Ca 0.59 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1iba h GLU 83 Cb 1.07 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1iba h GLU 83 CO -0.47 1.01 -0.03 0.52 -1.16 0.00 0.00 179.01 178.89 1iba h MET 84 N 1.03 -0.07 -0.99 2.33 2.86 0.12 -2.07 114.93 118.13 1iba h MET 84 Ca 0.20 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 58.18 1iba h MET 84 Cb 0.45 0.02 -0.18 0.00 0.06 0.00 0.00 31.60 31.94 1iba h MET 84 CO 0.01 0.15 0.27 0.22 1.06 0.00 0.00 176.91 178.62 1iba h ASP 85 N -0.28 -0.10 -0.85 1.22 3.58 0.38 0.52 116.42 120.89 1iba h ASP 85 Ca -0.01 0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.76 1iba h ASP 85 Cb 0.25 0.38 -0.06 0.00 1.72 0.00 0.00 39.33 41.62 1iba h ASP 85 CO 0.01 -0.38 0.54 1.05 -2.88 0.00 0.00 179.24 177.58 1iba h GLU 86 N 0.02 0.98 -0.32 0.28 -0.00 -0.69 -1.12 114.58 113.72 1iba h GLU 86 Ca 0.71 -0.06 0.07 0.00 -0.00 0.00 0.00 59.36 60.08 1iba h GLU 86 Cb 1.69 -0.22 -0.07 0.00 -0.00 0.00 0.00 28.75 30.16 1iba h GLU 86 CO -0.85 0.65 -0.11 -0.92 -0.00 0.00 0.00 179.01 177.78 1iba h TYR 87 N 1.01 -0.26 -0.14 2.06 5.03 0.12 0.68 116.97 125.47 1iba h TYR 87 Ca 0.36 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.62 1iba h TYR 87 Cb 0.10 0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 1iba h TYR 87 CO -0.03 -0.18 -0.23 0.82 -1.32 0.00 0.00 178.16 177.23 1iba h ILE 88 N -0.05 1.36 -0.24 1.81 5.03 -1.34 0.62 117.51 124.70 1iba h ILE 88 Ca 0.16 -1.47 -0.03 0.00 -0.12 0.00 0.00 64.86 63.40 1iba h ILE 88 Cb 0.29 1.99 -0.01 0.00 -3.03 0.00 0.00 36.82 36.05 1iba h ILE 88 CO -0.36 0.43 0.03 0.03 -0.68 0.00 0.00 178.15 177.60 1iba h ARG 89 N 0.00 0.34 0.00 2.37 3.08 -1.06 0.15 114.38 119.27 1iba h ARG 89 Ca 0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1iba h ARG 89 Cb 0.80 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1iba h ARG 89 CO 0.05 0.35 -0.49 -0.97 -1.07 0.00 0.00 179.97 177.84 1iba h ASN 90 N 0.34 0.00 -0.60 7.04 -1.24 0.91 -3.33 115.58 118.69 1iba h ASN 90 Ca 0.08 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.66 1iba h ASN 90 Cb 0.19 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 38.85 1iba h ASN 90 CO 0.00 0.49 -0.87 0.33 -1.29 0.00 0.00 177.43 176.10 1iba n PHE 91 N -3.32 2.14 -0.71 0.67 7.35 0.21 -5.05 117.46 118.76 1iba n PHE 91 Ca 0.01 -2.10 0.00 0.00 -0.76 0.00 0.00 57.45 54.60 1iba n PHE 91 Cb 0.68 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.20 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41