#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 1.15 -0.27 3.17 0.00 -1.97 0.69 119.26 122.03 1iba h ALA 16 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1iba h ALA 16 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1iba h ALA 16 CO 0.00 -0.27 -0.56 -1.00 0.00 0.00 0.00 179.25 177.41 1iba h PRO 17 N 0.39 0.86 -0.09 0.00 0.13 -1.91 -0.71 132.00 130.67 1iba h PRO 17 Ca 0.46 -0.56 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1iba h PRO 17 Cb 0.77 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1iba h PRO 17 CO -0.47 1.19 -0.22 0.00 -0.23 0.00 0.00 178.00 178.27 1iba h ALA 18 N 0.66 1.47 0.03 -0.56 0.00 -1.82 -1.78 119.26 117.25 1iba h ALA 18 Ca 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1iba h ALA 18 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1iba h ALA 18 CO 0.12 0.38 -0.01 1.25 0.00 0.00 0.00 179.25 180.99 1iba h LEU 19 N 0.14 -0.03 -1.59 0.00 7.12 0.62 -0.50 115.31 121.06 1iba h LEU 19 Ca 0.02 0.00 0.50 0.00 0.13 0.00 0.00 57.88 58.54 1iba h LEU 19 Cb 0.48 0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 40.50 1iba h LEU 19 CO 0.03 0.10 1.05 1.62 -0.13 0.00 0.00 178.44 181.11 1iba h VAL 20 N -0.29 0.03 -0.36 1.05 3.04 -1.23 1.28 116.25 119.78 1iba h VAL 20 Ca -0.00 -0.01 -0.14 0.00 -1.01 0.00 0.00 66.70 65.55 1iba h VAL 20 Cb 0.03 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.31 1iba h VAL 20 CO 0.01 0.00 -0.32 0.00 -1.01 0.00 0.00 177.57 176.25 1iba h ALA 21 N 1.42 0.76 0.00 3.17 0.00 -1.20 -0.76 119.26 122.65 1iba h ALA 21 Ca 0.89 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1iba h ALA 21 Cb 3.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.74 1iba h ALA 21 CO -0.31 0.65 0.46 0.00 0.00 0.00 0.00 179.25 180.05 1iba h ALA 22 N 0.97 1.37 0.00 0.00 0.00 0.34 0.24 119.26 122.18 1iba h ALA 22 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iba h ALA 22 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1iba h ALA 22 CO 0.08 -0.37 0.00 0.34 0.00 0.00 0.00 179.25 179.30 1iba n PHE 23 N -2.25 -1.02 0.31 0.00 7.35 -1.20 -4.57 117.46 116.08 1iba n PHE 23 Ca -0.01 0.17 0.20 0.00 -0.76 0.00 0.00 57.45 57.05 1iba n PHE 23 Cb 0.48 0.64 0.93 0.00 0.35 0.00 0.00 39.48 41.88 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 -3.03 7.13 0.00 -1.28 -2.43 103.07 103.46 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 -0.47 3.11 2.62 4.60 0.00 0.06 -4.49 105.19 110.61 1iba n GLY 25 Ca -0.01 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 0.56 4.04 0.03 1.61 4.76 -0.91 -4.80 118.16 123.44 1iba n LYS 26 Ca 0.26 -3.61 0.22 0.00 -2.87 0.00 0.00 58.31 52.31 1iba n LYS 26 Cb 1.05 -2.41 0.70 0.00 -1.84 0.00 0.00 35.03 32.53 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 3.84 0.00 0.00 1.97 4.11 -1.83 0.28 114.58 122.94 1iba h GLU 27 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1iba h GLU 27 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1iba h GLU 27 CO 1.26 0.00 0.37 -0.97 0.07 0.00 0.00 179.01 179.73 1iba h ASN 28 N 0.00 0.00 -2.43 3.06 -0.73 -1.97 -3.45 115.58 110.07 1iba h ASN 28 Ca 0.26 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.85 1iba h ASN 28 Cb 1.41 0.00 0.19 0.00 0.27 0.00 0.00 38.32 40.19 1iba h ASN 28 CO -0.00 0.00 -0.95 -0.38 -0.37 0.00 0.00 177.43 175.72 1iba n ILE 29 N -2.29 0.78 0.26 2.57 2.08 0.98 -4.95 119.36 118.79 1iba n ILE 29 Ca -0.01 -0.48 -0.15 0.00 0.56 0.00 0.00 62.75 62.67 1iba n ILE 29 Cb 0.39 -0.28 -0.08 0.00 -0.75 0.00 0.00 39.64 38.92 1iba n ILE 29 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1iba h THR 30 N -0.17 0.46 -3.94 1.39 1.35 -1.87 -3.46 112.91 106.67 1iba h THR 30 Ca -0.43 -0.32 -0.32 0.00 -0.55 0.00 0.00 66.41 64.79 1iba h THR 30 Cb 1.40 0.59 -0.27 0.00 -1.73 0.00 0.00 68.15 68.14 1iba h THR 30 CO 0.40 0.05 -0.75 0.20 -0.25 0.00 0.00 175.52 175.17 1iba s ASN 31 N -4.74 0.75 0.10 5.36 -0.87 -0.75 -5.03 114.94 109.75 1iba s ASN 31 Ca -0.15 -0.22 0.09 0.00 -1.57 0.00 0.00 52.86 51.01 1iba s ASN 31 Cb 0.03 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.25 41.17 1iba s ASN 31 CO 0.55 0.01 -0.23 -0.76 -2.57 0.00 0.00 177.10 174.10 1iba s LEU 32 N -0.50 2.28 -0.46 0.60 2.01 -1.26 -0.05 118.68 121.30 1iba s LEU 32 Ca -0.01 -0.67 0.08 0.00 0.01 0.00 0.00 54.13 53.54 1iba s LEU 32 Cb -0.04 -0.99 0.38 0.00 0.01 0.00 0.00 46.19 45.55 1iba s LEU 32 CO -0.00 0.11 0.96 0.47 1.01 0.00 0.00 176.35 178.90 1iba n ASP 33 N 1.19 3.45 -4.77 2.29 9.92 -1.07 -4.93 116.55 122.63 1iba n ASP 33 Ca -0.19 -3.43 -0.41 0.00 -0.53 0.00 0.00 54.79 50.23 1iba n ASP 33 Cb 0.53 -0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 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 -3.26 3.64 0.14 2.24 0.00 -1.26 -3.83 121.76 119.43 1iba s ALA 34 Ca 0.44 1.59 -0.25 0.00 0.00 0.00 0.00 51.96 53.74 1iba s ALA 34 Cb 0.36 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.91 1iba s ALA 34 CO -0.12 -1.05 0.77 0.00 0.00 0.00 0.00 175.76 175.37 1iba n ILE 36 N -0.38 0.00 -1.52 0.00 -6.64 -1.26 -1.02 119.36 108.54 1iba n ILE 36 Ca -0.10 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 60.90 1iba n ILE 36 Cb 0.62 0.00 0.20 0.00 -1.44 0.00 0.00 39.64 39.03 1iba n ILE 36 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1iba n THR 37 N 0.00 2.35 -3.88 7.28 -2.24 -1.26 -4.98 114.28 111.55 1iba n THR 37 Ca 0.00 -2.99 -0.18 0.00 -2.27 0.00 0.00 64.05 58.61 1iba n THR 37 Cb 0.00 -0.27 -0.17 0.00 -2.10 0.00 0.00 70.33 67.79 1iba n THR 37 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1iba s ARG 38 N -3.23 0.28 0.38 -0.78 3.52 -0.19 -2.00 118.95 116.94 1iba s ARG 38 Ca 0.41 0.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 1iba s ARG 38 Cb 0.38 -0.54 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 1iba s ARG 38 CO -0.04 -0.18 0.13 -0.48 -0.81 0.00 0.00 175.30 173.92 1iba s LEU 39 N 1.27 1.98 0.08 -0.88 0.05 0.13 0.30 118.68 121.61 1iba s LEU 39 Ca -0.06 -1.62 -0.22 0.00 0.05 0.00 0.00 54.13 52.27 1iba s LEU 39 Cb -0.13 -0.10 0.06 0.00 -2.05 0.00 0.00 46.19 43.97 1iba s LEU 39 CO -0.02 -0.89 0.54 -0.13 -0.55 0.00 0.00 176.35 175.30 1iba s ARG 40 N -3.74 1.12 -0.41 1.48 0.52 -1.25 -0.04 118.95 116.63 1iba s ARG 40 Ca 0.27 -0.33 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 1iba s ARG 40 Cb 0.04 0.51 0.21 0.00 0.52 0.00 0.00 34.95 36.22 1iba s ARG 40 CO 0.15 -0.43 0.44 0.28 0.02 0.00 0.00 175.30 175.76 1iba n VAL 41 N 0.12 -0.93 -2.24 3.52 0.31 -0.02 -2.60 118.33 116.49 1iba n VAL 41 Ca -0.18 -3.53 -0.43 0.00 -0.01 0.00 0.00 64.34 60.20 1iba n VAL 41 Cb 0.62 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 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 -0.48 6.30 -0.08 4.52 0.15 0.93 -3.88 113.70 121.16 1iba s SER 42 Ca 0.34 1.13 -0.30 0.00 0.70 0.00 0.00 55.95 57.82 1iba s SER 42 Cb 0.10 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.97 1iba s SER 42 CO -0.16 -1.41 0.83 0.54 1.20 0.00 0.00 173.24 174.25 1iba s VAL 43 N 5.55 0.00 -0.99 4.45 0.11 -1.26 -1.81 120.40 126.44 1iba s VAL 43 Ca 0.66 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.68 1iba s VAL 43 Cb -0.18 -1.00 0.28 0.00 -1.53 0.00 0.00 36.38 33.95 1iba s VAL 43 CO 0.31 0.00 1.16 0.00 -3.33 0.00 0.00 175.10 173.24 1iba n ALA 44 N 0.61 4.54 -2.54 1.54 0.00 -1.26 -4.72 120.51 118.68 1iba n ALA 44 Ca -0.14 -4.73 -0.18 0.00 0.00 0.00 0.00 53.44 48.39 1iba n ALA 44 Cb 0.58 -2.05 0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 1.76 3.23 -0.02 0.00 9.92 -1.26 -4.79 116.55 125.39 1iba n ASP 45 Ca 0.25 -3.22 0.11 0.00 -0.53 0.00 0.00 54.79 51.40 1iba n ASP 45 Cb 0.36 -0.48 0.67 0.00 -0.64 0.00 0.00 41.12 41.03 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 -0.33 0.00 -0.31 2.53 3.14 -1.26 -3.89 118.33 118.21 1iba n VAL 46 Ca 0.25 -0.01 0.28 0.00 -2.96 0.00 0.00 64.34 61.90 1iba n VAL 46 Cb 0.75 -0.33 0.62 0.00 -1.06 0.00 0.00 33.84 33.81 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 0.06 0.25 0.00 6.55 0.87 -2.01 -3.43 113.55 115.84 1iba h SER 47 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1iba h SER 47 Cb 0.01 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1iba h SER 47 CO 0.00 0.04 0.00 2.29 -0.53 0.00 0.00 176.83 178.63 1iba n LYS 48 N -4.44 0.00 -0.31 2.24 0.00 -1.25 -5.18 118.16 109.22 1iba n LYS 48 Ca 0.25 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.58 1iba n LYS 48 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 36.04 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 -2.85 0.00 -2.62 0.58 3.14 -1.26 -4.69 118.33 110.63 1iba n VAL 49 Ca 0.00 0.02 -0.18 0.00 -2.96 0.00 0.00 64.34 61.22 1iba n VAL 49 Cb 0.00 -0.08 0.01 0.00 -1.06 0.00 0.00 33.84 32.71 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 -4.36 2.94 -0.06 6.55 -0.08 -1.26 -4.86 116.55 115.42 1iba n ASP 50 Ca -0.00 -3.20 -0.13 0.00 -1.51 0.00 0.00 54.79 49.95 1iba n ASP 50 Cb 0.52 -0.51 -0.06 0.00 2.34 0.00 0.00 41.12 43.41 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 2.82 0.40 -1.50 -0.67 4.20 -1.93 0.12 115.11 118.55 1iba h GLN 51 Ca 0.09 -0.20 0.49 0.00 0.06 0.00 0.00 58.65 59.09 1iba h GLN 51 Cb 1.03 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.69 1iba h GLN 51 CO 0.66 0.75 0.99 0.00 -0.67 0.00 0.00 178.83 180.57 1iba h ALA 52 N 0.64 3.04 0.02 3.87 0.00 -1.93 0.69 119.26 125.59 1iba h ALA 52 Ca 0.03 0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1iba h ALA 52 Cb 0.66 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1iba h ALA 52 CO 0.04 -1.70 -1.59 0.41 0.00 0.00 0.00 179.25 176.41 1iba n GLY 53 N -1.61 -0.73 0.35 0.00 0.00 -1.08 -4.37 105.19 97.75 1iba n GLY 53 Ca 0.41 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.84 0.00 -0.42 0.99 6.46 0.17 0.40 115.31 122.08 1iba h LEU 54 Ca -0.42 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.16 1iba h LEU 54 Cb 1.46 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.38 1iba h LEU 54 CO -0.21 0.00 -0.78 0.07 -0.62 0.00 0.00 178.44 176.91 1iba h LYS 55 N 0.00 0.21 0.00 1.25 5.09 0.06 0.76 116.57 123.95 1iba h LYS 55 Ca 0.10 -0.20 -0.30 0.00 0.09 0.00 0.00 60.65 60.34 1iba h LYS 55 Cb 0.69 0.05 -0.05 0.00 0.10 0.00 0.00 32.23 33.02 1iba h LYS 55 CO -0.00 0.89 -2.14 0.36 -2.09 0.00 0.00 179.45 176.46 1iba n LYS 56 N -3.74 0.50 0.10 0.07 2.85 -0.71 -1.28 118.16 115.95 1iba n LYS 56 Ca -0.03 0.12 -0.11 0.00 -1.05 0.00 0.00 58.31 57.24 1iba n LYS 56 Cb 0.74 -1.39 -0.07 0.00 -0.65 0.00 0.00 35.03 33.66 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 -0.07 -0.27 0.01 -5.58 6.46 -0.40 -3.40 115.31 112.06 1iba h LEU 57 Ca -0.45 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 56.99 1iba h LEU 57 Cb 1.67 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.67 1iba h LEU 57 CO -0.09 0.20 -0.35 1.23 -0.62 0.00 0.00 178.44 178.81 1iba h GLY 58 N -0.86 0.01 0.00 3.75 0.00 -1.06 -3.47 103.07 101.44 1iba h GLY 58 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1iba h GLY 58 CO 0.05 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1iba n ALA 59 N -2.82 0.00 -2.57 3.60 0.00 0.25 -4.89 120.51 114.08 1iba n ALA 59 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1iba n ALA 59 Cb 0.54 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.04 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 3.01 0.00 0.00 0.00 0.13 -3.41 120.51 117.25 1iba n ALA 60 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1iba n ALA 60 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.44 1.95 3.48 0.00 0.00 -0.40 -4.79 105.19 104.99 1iba n GLY 61 Ca 0.14 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 2.30 0.11 1.61 -7.23 -1.26 -0.28 120.40 115.65 1iba s VAL 62 Ca 0.00 -2.32 0.08 0.00 -1.81 0.00 0.00 61.98 57.93 1iba s VAL 62 Cb 0.00 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1iba s VAL 62 CO 0.00 -0.36 -0.20 0.68 -0.31 0.00 0.00 175.10 174.91 1iba s VAL 63 N -2.61 1.68 -0.40 1.32 -7.23 0.12 -4.95 120.40 108.34 1iba s VAL 63 Ca 0.30 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1iba s VAL 63 Cb -0.02 -1.57 0.12 0.00 0.56 0.00 0.00 36.38 35.46 1iba s VAL 63 CO 0.14 -0.12 0.18 -0.69 -0.31 0.00 0.00 175.10 174.29 1iba s VAL 64 N -1.35 1.49 -0.75 1.32 1.01 -1.26 -1.33 120.40 119.53 1iba s VAL 64 Ca 0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 1iba s VAL 64 Cb -0.09 -2.07 0.19 0.00 0.00 0.00 0.00 36.38 34.41 1iba s VAL 64 CO 0.04 -0.78 0.61 0.00 0.00 0.00 0.00 175.10 174.97 1iba s ALA 65 N 0.72 3.88 -0.15 5.51 0.00 -0.16 -5.02 121.76 126.55 1iba s ALA 65 Ca 0.14 -3.47 -0.07 0.00 0.00 0.00 0.00 51.96 48.57 1iba s ALA 65 Cb -0.22 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1iba s ALA 65 CO -0.08 -2.15 0.46 0.41 0.00 0.00 0.00 175.76 174.40 1iba n GLY 66 N 3.19 -0.06 0.00 0.00 0.00 -1.26 0.02 105.19 107.07 1iba n GLY 66 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 1.71 0.00 -3.45 1.61 7.64 -1.26 -5.09 113.62 114.77 1iba n SER 67 Ca 0.11 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.88 1iba n SER 67 Cb -0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.03 -0.56 -0.02 0.23 0.00 0.10 -4.62 107.32 102.42 1iba s GLY 68 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.47 1iba s GLY 68 CO 0.00 0.29 -0.04 0.14 0.00 0.00 0.00 173.10 173.50 1iba s VAL 69 N -3.31 0.41 0.10 1.40 1.01 -1.25 -0.99 120.40 117.76 1iba s VAL 69 Ca 0.01 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1iba s VAL 69 Cb -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1iba s VAL 69 CO -0.10 0.17 -0.10 -1.58 0.00 0.00 0.00 175.10 173.49 1iba s GLN 70 N 0.53 2.16 -0.04 2.72 0.74 -0.44 -0.84 119.66 124.49 1iba s GLN 70 Ca -0.06 -1.00 -0.01 0.00 0.05 0.00 0.00 55.36 54.34 1iba s GLN 70 Cb -0.10 -2.32 0.03 0.00 1.10 0.00 0.00 33.01 31.73 1iba s GLN 70 CO -0.00 0.52 0.03 0.00 -0.55 0.00 0.00 175.29 175.28 1iba s ALA 71 N -1.19 0.28 -0.07 1.58 0.00 0.95 -0.70 121.76 122.60 1iba s ALA 71 Ca 0.21 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1iba s ALA 71 Cb -0.11 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1iba s ALA 71 CO 0.13 -0.26 -0.08 0.42 0.00 0.00 0.00 175.76 175.97 1iba s ILE 72 N 1.52 0.87 -1.37 0.00 1.09 0.62 0.18 121.20 124.11 1iba s ILE 72 Ca -0.03 -0.28 0.23 0.00 -1.10 0.00 0.00 60.65 59.47 1iba s ILE 72 Cb -0.13 -0.86 -0.06 0.00 -1.06 0.00 0.00 42.46 40.35 1iba s ILE 72 CO -0.03 0.31 1.13 2.22 -0.10 0.00 0.00 174.94 178.48 1iba n PHE 73 N 4.27 0.00 -4.95 3.97 -1.74 -0.85 0.23 117.46 118.39 1iba n PHE 73 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 1iba n PHE 73 Cb 0.51 -0.06 0.00 0.00 1.52 0.00 0.00 39.48 41.45 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 1.46 0.84 0.23 4.97 0.00 -1.21 -0.62 105.19 110.85 1iba n GLY 74 Ca 0.07 -0.84 0.04 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 1.15 -0.56 2.61 1.03 -1.97 -2.51 112.91 112.67 1iba h THR 75 Ca 0.00 -0.69 0.16 0.00 -0.01 0.00 0.00 66.41 65.87 1iba h THR 75 Cb 0.00 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 68.33 1iba h THR 75 CO 0.00 0.21 0.55 0.50 -0.01 0.00 0.00 175.52 176.77 1iba h LYS 76 N 0.10 0.00 -1.41 0.00 1.63 -1.85 -2.25 116.57 112.80 1iba h LYS 76 Ca 0.02 0.00 0.46 0.00 -0.85 0.00 0.00 60.65 60.28 1iba h LYS 76 Cb 0.34 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.86 1iba h LYS 76 CO 0.02 0.00 0.95 -1.13 -3.45 0.00 0.00 179.45 175.84 1iba n SER 77 N -3.77 0.13 -0.06 4.20 3.41 0.20 0.90 113.62 118.62 1iba n SER 77 Ca 0.11 1.12 -0.10 0.00 -0.26 0.00 0.00 58.87 59.74 1iba n SER 77 Cb 0.76 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1iba n SER 77 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1iba h ASP 78 N 0.00 0.30 -0.30 4.04 1.82 -1.67 0.62 116.42 121.23 1iba h ASP 78 Ca 0.81 -0.13 -0.14 0.00 -0.39 0.00 0.00 57.03 57.17 1iba h ASP 78 Cb 2.82 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 42.74 1iba h ASP 78 CO -0.28 0.35 -0.34 -1.13 -1.61 0.00 0.00 179.24 176.22 1iba h ASN 79 N 0.23 0.87 0.05 2.28 -1.24 0.28 -1.39 115.58 116.66 1iba h ASN 79 Ca 0.08 -0.37 -0.24 0.00 0.71 0.00 0.00 56.30 56.47 1iba h ASN 79 Cb 0.13 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 38.95 1iba h ASN 79 CO -0.01 1.13 -0.94 -0.07 -1.29 0.00 0.00 177.43 176.25 1iba h LEU 80 N 0.69 0.82 -1.33 0.34 3.38 -1.17 -2.60 115.31 115.45 1iba h LEU 80 Ca 0.07 -0.62 0.14 0.00 0.09 0.00 0.00 57.88 57.55 1iba h LEU 80 Cb 0.90 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1iba h LEU 80 CO 0.08 1.42 0.56 0.11 0.09 0.00 0.00 178.44 180.70 1iba h LYS 81 N 0.39 0.65 -0.20 1.13 1.79 0.33 0.10 116.57 120.77 1iba h LYS 81 Ca -0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1iba h LYS 81 Cb 1.58 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 1iba h LYS 81 CO 0.18 0.43 0.13 1.15 -1.08 0.00 0.00 179.45 180.26 1iba h THR 82 N 0.67 1.06 -0.40 -0.16 2.02 -0.88 0.39 112.91 115.62 1iba h THR 82 Ca 0.43 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 1iba h THR 82 Cb 0.69 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1iba h THR 82 CO -0.18 0.06 -0.04 1.05 0.37 0.00 0.00 175.52 176.78 1iba h GLU 83 N 0.25 0.67 -0.48 6.66 4.11 -0.92 -2.26 114.58 122.61 1iba h GLU 83 Ca 0.07 -0.18 -0.11 0.00 0.07 0.00 0.00 59.36 59.21 1iba h GLU 83 Cb -0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1iba h GLU 83 CO -0.01 0.71 -0.14 0.52 0.07 0.00 0.00 179.01 180.16 1iba h MET 84 N 0.62 0.94 -0.40 1.06 2.86 -0.41 -1.67 114.93 117.93 1iba h MET 84 Ca 0.12 -0.37 0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1iba h MET 84 Cb 0.45 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 1iba h MET 84 CO 0.02 1.03 -0.30 0.22 1.06 0.00 0.00 176.91 178.94 1iba h ASP 85 N 0.78 -0.99 -0.40 1.22 3.58 0.33 0.13 116.42 121.08 1iba h ASP 85 Ca 0.12 0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.82 1iba h ASP 85 Cb 0.69 0.47 -0.06 0.00 1.72 0.00 0.00 39.33 42.16 1iba h ASP 85 CO 0.05 -0.30 0.03 -0.33 -2.88 0.00 0.00 179.24 175.81 1iba h GLU 86 N -0.23 0.14 -0.52 0.28 5.08 -1.09 -1.70 114.58 116.54 1iba h GLU 86 Ca 0.18 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1iba h GLU 86 Cb 0.52 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 1iba h GLU 86 CO -0.52 0.10 -0.55 -0.92 -1.00 0.00 0.00 179.01 176.11 1iba h TYR 87 N 0.15 -1.70 -0.55 4.33 3.20 0.18 1.04 116.97 123.63 1iba h TYR 87 Ca 0.20 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1iba h TYR 87 Cb 0.26 0.81 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1iba h TYR 87 CO -0.24 -0.47 0.31 0.82 -1.64 0.00 0.00 178.16 176.94 1iba h ILE 88 N -0.32 1.18 0.00 1.81 5.03 -0.91 0.22 117.51 124.52 1iba h ILE 88 Ca 0.10 -0.46 -0.04 0.00 -0.12 0.00 0.00 64.86 64.34 1iba h ILE 88 Cb 0.57 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 1iba h ILE 88 CO -0.66 0.19 -0.19 0.03 -0.68 0.00 0.00 178.15 176.84 1iba h ARG 89 N 0.74 0.00 0.00 2.37 3.08 -0.36 0.36 114.38 120.57 1iba h ARG 89 Ca 0.20 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1iba h ARG 89 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1iba h ARG 89 CO -0.03 0.19 -0.21 -0.97 -1.07 0.00 0.00 179.97 177.88 1iba h ASN 90 N 0.00 0.00 -0.26 7.04 -0.73 0.29 -3.30 115.58 118.61 1iba h ASN 90 Ca -0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.95 1iba h ASN 90 Cb 0.35 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 38.71 1iba h ASN 90 CO 0.03 0.21 -0.76 0.33 -0.37 0.00 0.00 177.43 176.87 1iba n PHE 91 N -3.19 0.92 0.00 0.67 -0.00 0.60 -5.06 117.46 111.41 1iba n PHE 91 Ca 0.02 -1.60 0.00 0.00 -0.00 0.00 0.00 57.45 55.87 1iba n PHE 91 Cb 0.57 -0.26 0.00 0.00 -0.00 0.00 0.00 39.48 39.80 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17