#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovy n THR 25 N 0.00 0.00 -2.56 2.61 5.66 -1.26 -4.88 114.28 113.85 1ovy n THR 25 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1ovy n THR 25 Cb 0.00 0.75 0.06 0.00 -1.55 0.00 0.00 70.33 69.59 1ovy n THR 25 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ovy n THR 26 N 0.00 0.00 -2.08 1.09 -1.04 -1.26 -4.95 114.28 106.04 1ovy n THR 26 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 1ovy n THR 26 Cb 0.56 0.74 -0.01 0.00 -1.82 0.00 0.00 70.33 69.80 1ovy n THR 26 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ovy n GLU 27 N -0.79 -0.92 0.00 -2.82 -0.58 -1.26 -4.96 120.64 109.32 1ovy n GLU 27 Ca -0.10 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1ovy n GLU 27 Cb 0.69 -4.75 0.00 0.00 -0.57 0.00 0.00 31.44 26.81 1ovy n GLU 27 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ovy n ARG 28 N -2.21 0.00 -1.66 3.49 1.74 -1.26 -4.99 116.66 111.76 1ovy n ARG 28 Ca -0.14 0.00 -0.49 0.00 -0.77 0.00 0.00 57.85 56.45 1ovy n ARG 28 Cb 0.57 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.96 1ovy n ARG 28 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ovy n PRO 29 N 0.00 1.84 -3.63 5.56 -0.02 -1.26 -4.04 135.00 133.45 1ovy n PRO 29 Ca 0.00 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1ovy n PRO 29 Cb 0.00 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.04 1ovy n PRO 29 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ovy s ARG 30 N 1.95 0.64 0.22 -0.52 0.52 0.11 -3.64 118.95 118.24 1ovy s ARG 30 Ca 0.86 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.44 1ovy s ARG 30 Cb -0.78 0.24 -0.10 0.00 0.52 0.00 0.00 34.95 34.83 1ovy s ARG 30 CO 0.46 -0.29 1.52 -1.17 0.02 0.00 0.00 175.30 175.84 1ovy s LEU 31 N -2.73 4.37 0.14 2.53 2.96 -1.09 -2.58 118.68 122.27 1ovy s LEU 31 Ca 0.11 2.69 0.02 0.00 -0.22 0.00 0.00 54.13 56.74 1ovy s LEU 31 Cb 0.01 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1ovy s LEU 31 CO -0.03 -0.78 -0.05 -0.94 -1.32 0.00 0.00 176.35 173.22 1ovy s SER 32 N 0.69 1.35 -0.24 3.68 1.04 0.13 0.17 113.70 120.52 1ovy s SER 32 Ca 0.64 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1ovy s SER 32 Cb -0.44 0.07 0.07 0.00 0.10 0.00 0.00 66.02 65.83 1ovy s SER 32 CO 0.39 -0.46 0.03 0.68 0.98 0.00 0.00 173.24 174.85 1ovy s VAL 33 N -3.55 0.98 0.33 5.02 -7.23 -1.26 -2.17 120.40 112.52 1ovy s VAL 33 Ca 0.17 -1.04 0.09 0.00 -1.81 0.00 0.00 61.98 59.39 1ovy s VAL 33 Cb 0.05 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 1ovy s VAL 33 CO -0.00 -0.31 0.03 -0.36 -0.31 0.00 0.00 175.10 174.14 1ovy s PHE 34 N 1.62 2.58 -0.40 2.82 0.40 -0.47 -4.51 117.98 120.02 1ovy s PHE 34 Ca 0.01 -0.41 -0.23 0.00 -0.60 0.00 0.00 56.93 55.70 1ovy s PHE 34 Cb -0.18 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.89 1ovy s PHE 34 CO -0.12 0.47 0.76 0.50 0.70 0.00 0.00 175.22 177.53 1ovy s ARG 35 N -3.73 3.59 -1.14 0.44 3.52 -1.26 0.11 118.95 120.48 1ovy s ARG 35 Ca 0.35 0.08 -0.21 0.00 -0.13 0.00 0.00 55.73 55.82 1ovy s ARG 35 Cb -0.01 -3.86 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 1ovy s ARG 35 CO 0.20 -0.94 1.74 0.45 -0.81 0.00 0.00 175.30 175.94 1ovy s SER 36 N 1.95 6.07 0.00 -2.12 0.15 0.67 -4.77 113.70 115.65 1ovy s SER 36 Ca 0.29 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 55.21 1ovy s SER 36 Cb -0.13 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1ovy s SER 36 CO 0.19 -1.94 0.00 0.59 1.20 0.00 0.00 173.24 173.27 1ovy n ASN 37 N 10.78 0.00 -0.07 5.45 4.13 -1.26 -0.03 115.26 134.27 1ovy n ASN 37 Ca 0.43 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.61 1ovy n ASN 37 Cb 0.48 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.62 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ovy n LYS 38 N 0.00 1.68 -4.19 3.52 4.76 -1.26 -5.02 118.16 117.64 1ovy n LYS 38 Ca 0.00 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 1ovy n LYS 38 Cb 0.00 -1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 31.81 1ovy n LYS 38 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1ovy s HIS 39 N -2.31 2.92 0.41 2.13 3.76 0.96 -5.00 115.29 118.17 1ovy s HIS 39 Ca -0.09 -0.17 -0.26 0.00 -0.15 0.00 0.00 55.06 54.40 1ovy s HIS 39 Cb 0.04 -1.32 -0.08 0.00 1.11 0.00 0.00 32.58 32.33 1ovy s HIS 39 CO 0.49 0.56 1.26 0.42 -0.85 0.00 0.00 174.74 176.62 1ovy s ILE 40 N -2.22 2.78 -0.20 0.60 -1.09 -1.26 0.24 121.20 120.04 1ovy s ILE 40 Ca 0.32 0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 59.42 1ovy s ILE 40 Cb -0.07 -3.40 0.01 0.00 -1.58 0.00 0.00 42.46 37.42 1ovy s ILE 40 CO 0.23 0.09 -0.12 -0.47 -1.23 0.00 0.00 174.94 173.43 1ovy s TYR 41 N -1.31 2.89 -0.30 3.97 6.14 0.31 -4.28 117.35 124.77 1ovy s TYR 41 Ca 0.57 -1.37 -0.18 0.00 0.64 0.00 0.00 57.07 56.74 1ovy s TYR 41 Cb -0.36 -2.01 -0.02 0.00 0.42 0.00 0.00 41.96 40.00 1ovy s TYR 41 CO 0.45 -0.70 0.51 0.00 0.64 0.00 0.00 175.55 176.46 1ovy s ALA 42 N 1.37 3.54 -0.17 3.97 0.00 -0.98 -1.37 121.76 128.11 1ovy s ALA 42 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1ovy s ALA 42 Cb -0.14 -2.93 0.06 0.00 0.00 0.00 0.00 23.12 20.11 1ovy s ALA 42 CO -0.08 -0.93 0.10 1.14 0.00 0.00 0.00 175.76 175.99 1ovy s GLN 43 N 2.35 0.07 -0.40 0.00 -2.07 -0.92 0.17 119.66 118.85 1ovy s GLN 43 Ca 0.20 -0.04 -0.15 0.00 -1.82 0.00 0.00 55.36 53.55 1ovy s GLN 43 Cb -0.15 -1.74 0.02 0.00 -1.09 0.00 0.00 33.01 30.04 1ovy s GLN 43 CO 0.11 -0.66 0.29 0.42 -1.32 0.00 0.00 175.29 174.13 1ovy s ILE 44 N 2.16 5.22 -0.23 3.63 1.01 -1.09 -0.70 121.20 131.20 1ovy s ILE 44 Ca 0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1ovy s ILE 44 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1ovy s ILE 44 CO -0.09 -0.29 0.09 -0.51 0.00 0.00 0.00 174.94 174.14 1ovy s ILE 45 N 1.68 4.65 1.01 2.92 1.10 -1.07 0.27 121.20 131.77 1ovy s ILE 45 Ca 0.05 -0.06 -0.22 0.00 -0.51 0.00 0.00 60.65 59.90 1ovy s ILE 45 Cb -0.19 -3.16 -0.05 0.00 0.15 0.00 0.00 42.46 39.21 1ovy s ILE 45 CO 0.10 0.36 -0.79 -0.90 -2.11 0.00 0.00 174.94 171.60 1ovy n ASP 46 N 4.53 -2.72 0.00 4.50 5.68 -0.25 0.08 116.55 128.37 1ovy n ASP 46 Ca -0.16 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 1ovy n ASP 46 Cb 0.52 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1ovy n ASP 46 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ovy n ASP 47 N 1.30 0.00 -0.04 -1.12 5.68 -1.24 -1.20 116.55 119.93 1ovy n ASP 47 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.27 1ovy n ASP 47 Cb 0.64 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.47 1ovy n ASP 47 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1ovy n THR 48 N 0.00 0.95 0.02 2.12 -2.24 -1.26 -4.64 114.28 109.22 1ovy n THR 48 Ca 0.00 -0.71 -0.01 0.00 -2.27 0.00 0.00 64.05 61.06 1ovy n THR 48 Cb 0.00 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1ovy n THR 48 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ovy h LYS 49 N 0.00 -0.06 0.00 -0.78 3.11 -1.95 -3.49 116.57 113.39 1ovy h LYS 49 Ca -0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1ovy h LYS 49 Cb 1.72 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 1ovy h LYS 49 CO 0.03 -0.04 0.00 -1.13 -2.81 0.00 0.00 179.45 175.49 1ovy n SER 50 N -2.65 0.00 -3.10 4.20 3.41 -1.26 -5.02 113.62 109.20 1ovy n SER 50 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.55 1ovy n SER 50 Cb 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1ovy n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ovy n ALA 51 N 0.00 -0.83 -1.46 7.33 0.00 -1.26 -4.86 120.51 119.43 1ovy n ALA 51 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 1ovy n ALA 51 Cb 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.50 1ovy n ALA 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ovy s THR 52 N -0.99 2.60 -0.45 0.00 2.01 -1.26 -4.18 115.64 113.38 1ovy s THR 52 Ca 0.11 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1ovy s THR 52 Cb -0.02 -2.89 0.63 0.00 0.01 0.00 0.00 72.50 70.23 1ovy s THR 52 CO 0.09 -0.15 1.86 -0.38 -0.69 0.00 0.00 174.62 175.35 1ovy n ILE 53 N -2.45 3.16 -3.50 1.82 5.41 -1.20 -1.10 119.36 121.50 1ovy n ILE 53 Ca 0.13 -2.15 0.00 0.00 1.00 0.00 0.00 62.75 61.72 1ovy n ILE 53 Cb 0.51 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1ovy n ILE 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1ovy n VAL 54 N -1.12 0.00 0.00 1.39 0.24 0.14 -4.65 118.33 114.33 1ovy n VAL 54 Ca 0.57 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.87 1ovy n VAL 54 Cb 1.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1ovy n VAL 54 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ovy n SER 55 N 1.22 0.00 0.00 -1.34 7.64 -1.19 -2.66 113.62 117.29 1ovy n SER 55 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ovy n SER 55 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ovy n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ovy n ALA 56 N -3.00 0.00 -3.77 -0.43 0.00 0.13 -4.88 120.51 108.56 1ovy n ALA 56 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ovy n ALA 56 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ovy n ALA 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ovy s SER 57 N 0.00 0.01 0.52 0.00 1.04 -1.26 -2.33 113.70 111.67 1ovy s SER 57 Ca 0.00 -1.08 0.47 0.00 0.48 0.00 0.00 55.95 55.82 1ovy s SER 57 Cb 0.00 0.82 1.62 0.00 0.10 0.00 0.00 66.02 68.56 1ovy s SER 57 CO 0.00 -1.62 1.45 0.35 0.98 0.00 0.00 173.24 174.41 1ovy n THR 58 N -0.52 -0.00 -3.27 2.02 -2.24 -1.26 -0.99 114.28 108.02 1ovy n THR 58 Ca -0.07 1.39 -0.26 0.00 -2.27 0.00 0.00 64.05 62.84 1ovy n THR 58 Cb 0.60 -2.32 -0.07 0.00 -2.10 0.00 0.00 70.33 66.44 1ovy n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ovy n LEU 59 N -3.80 2.91 -4.19 3.22 -0.00 -1.26 -4.01 117.00 109.87 1ovy n LEU 59 Ca 0.42 -5.30 -0.12 0.00 -0.00 0.00 0.00 56.01 51.01 1ovy n LEU 59 Cb 1.88 -0.26 -0.10 0.00 -0.00 0.00 0.00 43.42 44.94 1ovy n LEU 59 CO 0.41 2.13 -0.27 -0.62 -0.00 0.00 0.00 177.39 179.05 1ovy s ASP 60 N -2.38 0.35 0.01 1.45 2.15 -0.16 -5.07 116.67 113.01 1ovy s ASP 60 Ca 0.41 -1.31 -0.24 0.00 0.43 0.00 0.00 52.55 51.84 1ovy s ASP 60 Cb 0.19 0.32 -0.18 0.00 -0.30 0.00 0.00 42.92 42.95 1ovy s ASP 60 CO -0.06 -0.77 1.31 0.50 -0.17 0.00 0.00 175.17 175.98 1ovy h LYS 61 N 2.70 0.15 -0.72 4.34 3.64 -1.95 -3.09 116.57 121.64 1ovy h LYS 61 Ca -0.36 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.06 1ovy h LYS 61 Cb 1.23 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1ovy h LYS 61 CO 0.57 0.58 0.33 0.93 -2.27 0.00 0.00 179.45 179.58 1ovy h GLU 62 N -0.28 0.52 -0.19 1.90 5.08 -1.93 -1.82 114.58 117.86 1ovy h GLU 62 Ca 0.01 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ovy h GLU 62 Cb 0.55 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1ovy h GLU 62 CO 0.01 0.34 -0.25 0.74 -1.00 0.00 0.00 179.01 178.86 1ovy h PHE 63 N 0.53 -0.66 -6.08 4.33 -1.00 -1.80 -3.48 116.94 108.79 1ovy h PHE 63 Ca 0.37 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1ovy h PHE 63 Cb 0.46 0.32 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 1ovy h PHE 63 CO -0.13 -0.33 -0.59 0.41 -1.61 0.00 0.00 178.31 176.06 1ovy n GLY 64 N -1.37 -0.73 3.45 -1.45 0.00 -0.69 -3.83 105.19 100.56 1ovy n GLY 64 Ca -0.02 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1ovy n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ovy n LEU 65 N 1.86 -4.31 -1.30 0.99 -0.00 -1.26 -4.91 117.00 108.08 1ovy n LEU 65 Ca -0.04 -0.74 0.12 0.00 -0.00 0.00 0.00 56.01 55.35 1ovy n LEU 65 Cb 0.25 -2.99 0.30 0.00 -0.00 0.00 0.00 43.42 40.98 1ovy n LEU 65 CO 0.06 0.29 0.76 0.47 -0.00 0.00 0.00 177.39 178.98 1ovy n ASP 66 N -3.10 3.79 -1.70 1.96 9.92 -1.25 -4.92 116.55 121.25 1ovy n ASP 66 Ca -0.19 -2.00 -0.14 0.00 -0.53 0.00 0.00 54.79 51.94 1ovy n ASP 66 Cb 0.64 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.65 1ovy n ASP 66 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ovy n SER 67 N 1.60 -3.81 0.00 -2.24 7.64 -1.26 -4.19 113.62 111.36 1ovy n SER 67 Ca 0.23 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1ovy n SER 67 Cb 0.61 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 1ovy n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ovy n THR 68 N -2.37 0.00 -1.31 0.44 -2.24 -1.26 -4.89 114.28 102.65 1ovy n THR 68 Ca -0.15 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 1ovy n THR 68 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1ovy n THR 68 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ovy n ASN 69 N 1.99 -7.13 -3.74 3.42 3.02 -1.26 -4.44 115.26 107.13 1ovy n ASN 69 Ca 0.00 1.01 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1ovy n ASN 69 Cb 0.00 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 1ovy n ASN 69 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ovy n ASN 70 N -4.25 -0.03 0.27 6.41 6.94 -1.26 -4.64 115.26 118.69 1ovy n ASN 70 Ca -0.05 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.67 1ovy n ASN 70 Cb 0.63 0.00 0.85 0.00 -2.36 0.00 0.00 39.78 38.90 1ovy n ASN 70 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1ovy h ILE 71 N -0.89 0.00 -0.69 1.53 6.09 -1.88 -3.15 117.51 118.53 1ovy h ILE 71 Ca 0.00 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 1ovy h ILE 71 Cb 0.00 0.69 -0.10 0.00 0.47 0.00 0.00 36.82 37.88 1ovy h ILE 71 CO 0.00 0.00 -0.55 -0.08 -3.07 0.00 0.00 178.15 174.45 1ovy h GLU 72 N 0.00 -0.20 -0.83 2.19 4.81 -1.90 0.64 114.58 119.29 1ovy h GLU 72 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1ovy h GLU 72 Cb 0.22 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 1ovy h GLU 72 CO 0.00 -0.13 0.51 0.00 -0.73 0.00 0.00 179.01 178.66 1ovy h ALA 73 N 0.30 1.12 -0.17 2.92 0.00 -1.76 0.44 119.26 122.11 1ovy h ALA 73 Ca 0.13 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ovy h ALA 73 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ovy h ALA 73 CO -0.76 0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.02 1ovy h ALA 74 N 1.38 1.69 -0.13 0.00 0.00 -0.13 1.02 119.26 123.09 1ovy h ALA 74 Ca 0.35 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 1ovy h ALA 74 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ovy h ALA 74 CO -0.15 -0.34 -0.56 0.87 0.00 0.00 0.00 179.25 179.07 1ovy h LYS 75 N 0.00 0.40 -0.20 0.00 1.57 0.45 1.43 116.57 120.23 1ovy h LYS 75 Ca 0.08 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1ovy h LYS 75 Cb 0.58 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 1ovy h LYS 75 CO -0.00 0.86 -0.51 -0.22 -0.57 0.00 0.00 179.45 179.01 1ovy h LYS 76 N 0.31 -0.49 0.06 3.15 3.64 0.14 0.32 116.57 123.69 1ovy h LYS 76 Ca 0.00 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1ovy h LYS 76 Cb 1.08 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1ovy h LYS 76 CO 0.10 -0.33 -0.56 -0.39 -2.27 0.00 0.00 179.45 176.00 1ovy h VAL 77 N -0.51 1.52 -1.32 2.00 -1.51 -1.48 -3.08 116.25 111.87 1ovy h VAL 77 Ca 0.06 -2.27 0.38 0.00 -1.23 0.00 0.00 66.70 63.65 1ovy h VAL 77 Cb 0.65 2.96 -0.05 0.00 -2.13 0.00 0.00 31.29 32.71 1ovy h VAL 77 CO -0.47 0.64 0.96 1.23 -1.23 0.00 0.00 177.57 178.70 1ovy h GLY 78 N -0.38 0.00 0.00 5.19 0.00 0.22 1.06 103.07 109.16 1ovy h GLY 78 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1ovy h GLY 78 CO 0.11 0.00 -0.03 -2.09 0.00 0.00 0.00 176.54 174.53 1ovy h GLU 79 N 0.00 0.00 -0.96 4.80 4.81 -0.39 0.13 114.58 122.98 1ovy h GLU 79 Ca 0.63 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 60.01 1ovy h GLU 79 Cb 2.55 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.84 1ovy h GLU 79 CO -0.01 0.00 0.61 1.25 -0.73 0.00 0.00 179.01 180.13 1ovy h LEU 80 N -0.73 0.76 -0.32 1.64 6.46 -1.27 0.43 115.31 122.27 1ovy h LEU 80 Ca 0.00 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1ovy h LEU 80 Cb 0.03 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1ovy h LEU 80 CO 0.00 0.35 -0.49 1.62 -0.62 0.00 0.00 178.44 179.31 1ovy h VAL 81 N 0.78 0.91 -0.30 1.05 3.04 0.10 -3.11 116.25 118.73 1ovy h VAL 81 Ca 0.50 -2.05 0.06 0.00 -1.01 0.00 0.00 66.70 64.20 1ovy h VAL 81 Cb 0.73 2.28 -0.06 0.00 -2.01 0.00 0.00 31.29 32.24 1ovy h VAL 81 CO -0.27 0.48 -0.10 0.00 -1.01 0.00 0.00 177.57 176.67 1ovy h ALA 82 N 1.51 0.16 0.50 3.17 0.00 0.27 1.39 119.26 126.26 1ovy h ALA 82 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ovy h ALA 82 Cb 1.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1ovy h ALA 82 CO 0.06 -0.49 -0.24 -0.22 0.00 0.00 0.00 179.25 178.37 1ovy h LYS 83 N -0.04 -0.64 -0.79 0.00 3.11 -1.56 1.24 116.57 117.89 1ovy h LYS 83 Ca 0.15 0.04 0.07 0.00 -2.81 0.00 0.00 60.65 58.10 1ovy h LYS 83 Cb 0.26 0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 31.59 1ovy h LYS 83 CO -0.33 -0.43 0.51 -0.09 -2.81 0.00 0.00 179.45 176.31 1ovy h ARG 84 N -1.06 0.81 0.11 1.90 2.43 -1.49 -2.78 114.38 114.30 1ovy h ARG 84 Ca -0.07 -0.05 -0.31 0.00 -0.81 0.00 0.00 59.98 58.74 1ovy h ARG 84 Cb 0.51 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1ovy h ARG 84 CO 0.11 0.54 -1.60 0.00 -1.51 0.00 0.00 179.97 177.51 1ovy h ALA 85 N 1.58 0.32 -0.30 2.80 0.00 0.18 -3.11 119.26 120.72 1ovy h ALA 85 Ca 0.34 -1.17 0.09 0.00 0.00 0.00 0.00 54.91 54.17 1ovy h ALA 85 Cb 0.25 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ovy h ALA 85 CO -0.12 1.18 0.42 1.37 0.00 0.00 0.00 179.25 182.10 1ovy h LEU 86 N 0.07 0.00 0.23 0.00 8.10 0.18 0.83 115.31 124.72 1ovy h LEU 86 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.71 1ovy h LEU 86 Cb 2.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.25 1ovy h LEU 86 CO 0.15 0.00 -0.11 -0.33 -4.11 0.00 0.00 178.44 174.04 1ovy h GLU 87 N 0.00 -0.29 -2.01 0.17 5.08 -1.55 0.73 114.58 116.70 1ovy h GLU 87 Ca 0.14 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ovy h GLU 87 Cb 0.98 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ovy h GLU 87 CO -0.00 -0.20 0.00 1.63 -1.00 0.00 0.00 179.01 179.44 1ovy n LYS 88 N -4.39 -0.28 0.00 2.33 4.76 0.28 -1.13 118.16 119.74 1ovy n LYS 88 Ca -0.04 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1ovy n LYS 88 Cb 0.12 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 1ovy n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ovy n GLY 89 N 1.64 1.94 1.44 0.72 0.00 -1.26 -2.90 105.19 106.77 1ovy n GLY 89 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ovy n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ovy n ILE 90 N 0.00 0.00 -4.59 -0.61 2.08 -1.08 -4.98 119.36 110.18 1ovy n ILE 90 Ca 0.00 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 1ovy n ILE 90 Cb 0.00 -0.25 -0.09 0.00 -0.75 0.00 0.00 39.64 38.55 1ovy n ILE 90 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1ovy s LYS 91 N -1.72 1.97 1.30 0.38 -0.14 -0.28 -4.83 119.74 116.42 1ovy s LYS 91 Ca 0.00 -2.20 -0.18 0.00 -1.36 0.00 0.00 55.97 52.23 1ovy s LYS 91 Cb 0.00 -1.02 0.33 0.00 -1.68 0.00 0.00 37.83 35.45 1ovy s LYS 91 CO 0.00 -0.36 0.98 -0.65 -0.76 0.00 0.00 175.35 174.56 1ovy s GLN 92 N -3.79 -1.97 0.31 1.68 1.11 0.25 -3.85 119.66 113.40 1ovy s GLN 92 Ca 0.21 0.41 0.08 0.00 0.01 0.00 0.00 55.36 56.07 1ovy s GLN 92 Cb 0.04 -1.47 -0.04 0.00 -1.01 0.00 0.00 33.01 30.54 1ovy s GLN 92 CO 0.11 -4.31 0.18 0.08 0.01 0.00 0.00 175.29 171.36 1ovy s VAL 93 N -2.41 3.54 -0.34 1.09 1.01 -1.26 -3.65 120.40 118.37 1ovy s VAL 93 Ca 0.69 -1.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1ovy s VAL 93 Cb -0.18 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1ovy s VAL 93 CO 0.61 -0.24 0.17 0.54 0.00 0.00 0.00 175.10 176.17 1ovy s VAL 94 N -2.31 4.46 0.09 2.92 0.11 -1.26 -4.52 120.40 119.89 1ovy s VAL 94 Ca 0.37 -0.73 -0.33 0.00 -2.93 0.00 0.00 61.98 58.35 1ovy s VAL 94 Cb -0.05 -3.41 -0.13 0.00 -1.53 0.00 0.00 36.38 31.26 1ovy s VAL 94 CO 0.24 -0.11 1.72 0.49 -3.33 0.00 0.00 175.10 174.11 1ovy n PHE 95 N 4.97 2.38 -0.88 1.54 3.01 -1.25 -3.69 117.46 123.53 1ovy n PHE 95 Ca -0.13 0.10 -0.31 0.00 1.01 0.00 0.00 57.45 58.12 1ovy n PHE 95 Cb 0.47 -2.62 0.06 0.00 -0.01 0.00 0.00 39.48 37.38 1ovy n PHE 95 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ovy n ASP 96 N 4.77 -2.76 -0.34 4.37 5.75 0.45 -4.46 116.55 124.33 1ovy n ASP 96 Ca 0.19 -0.05 0.33 0.00 -0.01 0.00 0.00 54.79 55.24 1ovy n ASP 96 Cb 0.31 -0.60 0.69 0.00 -1.03 0.00 0.00 41.12 40.49 1ovy n ASP 96 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1ovy h ARG 97 N -1.44 0.09 -0.58 0.11 2.47 -1.91 0.10 114.38 113.23 1ovy h ARG 97 Ca -0.36 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.35 1ovy h ARG 97 Cb 1.18 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.45 1ovy h ARG 97 CO 0.21 0.06 0.33 0.78 0.56 0.00 0.00 179.97 181.91 1ovy h GLY 98 N 0.10 0.85 -7.13 0.04 0.00 -1.85 -3.37 103.07 91.71 1ovy h GLY 98 Ca 0.59 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ovy h GLY 98 CO -0.09 0.36 0.05 -0.32 0.00 0.00 0.00 176.54 176.53 1ovy s GLY 99 N -2.88 -1.12 0.00 4.60 0.00 0.36 -4.90 107.32 103.38 1ovy s GLY 99 Ca -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1ovy s GLY 99 CO 0.77 4.30 0.00 1.58 0.00 0.00 0.00 173.10 179.74 1ovy n TYR 100 N 19.68 -1.28 0.59 1.90 4.11 -1.26 -4.73 117.16 136.17 1ovy n TYR 100 Ca 0.42 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 58.37 1ovy n TYR 100 Cb 0.46 0.00 0.28 0.00 -0.00 0.00 0.00 39.34 40.09 1ovy n TYR 100 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1ovy n LEU 101 N 0.00 0.00 0.00 -3.48 7.94 -1.26 -4.97 117.00 115.23 1ovy n LEU 101 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1ovy n LEU 101 Cb 0.00 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1ovy n LEU 101 CO 0.00 -0.02 0.00 -1.22 -1.11 0.00 0.00 177.39 175.04 1ovy n TYR 102 N -1.03 -0.07 -0.50 1.96 4.01 -1.26 -4.96 117.16 115.29 1ovy n TYR 102 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1ovy n TYR 102 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1ovy n TYR 102 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1ovy n HIS 103 N 0.00 0.00 0.00 -0.72 -0.00 -1.26 -4.90 115.22 108.34 1ovy n HIS 103 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ovy n HIS 103 Cb 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 29.72 1ovy n HIS 103 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ovy n GLY 104 N -2.00 1.04 0.09 1.57 0.00 -1.26 -5.02 105.19 99.61 1ovy n GLY 104 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ovy n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ovy n ARG 105 N 0.00 0.50 0.29 1.61 1.74 -1.26 -4.47 116.66 115.08 1ovy n ARG 105 Ca 0.00 0.44 0.16 0.00 -0.77 0.00 0.00 57.85 57.68 1ovy n ARG 105 Cb 0.00 -1.63 0.91 0.00 -1.02 0.00 0.00 32.46 30.72 1ovy n ARG 105 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1ovy h VAL 106 N -1.00 0.45 -1.31 1.55 -1.51 -1.97 -3.25 116.25 109.21 1ovy h VAL 106 Ca -0.14 -0.16 0.38 0.00 -1.23 0.00 0.00 66.70 65.56 1ovy h VAL 106 Cb 0.88 1.10 -0.05 0.00 -2.13 0.00 0.00 31.29 31.09 1ovy h VAL 106 CO -0.08 0.03 1.11 0.07 -1.23 0.00 0.00 177.57 177.47 1ovy h LYS 107 N 0.00 0.00 0.33 5.19 2.10 -1.91 -2.72 116.57 119.55 1ovy h LYS 107 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1ovy h LYS 107 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1ovy h LYS 107 CO 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 179.45 177.04 1ovy h ALA 108 N 1.02 -1.03 -0.17 0.07 0.00 -1.87 1.74 119.26 119.01 1ovy h ALA 108 Ca 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1ovy h ALA 108 Cb 2.83 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 21.30 1ovy h ALA 108 CO -0.01 -1.08 0.01 1.37 0.00 0.00 0.00 179.25 179.55 1ovy h LEU 109 N -0.76 0.29 -2.15 0.00 -0.00 -1.78 0.11 115.31 111.01 1ovy h LEU 109 Ca -0.04 -0.29 0.07 0.00 -0.00 0.00 0.00 57.88 57.62 1ovy h LEU 109 Cb 0.68 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1ovy h LEU 109 CO -0.10 0.50 0.29 0.00 -0.00 0.00 0.00 178.44 179.13 1ovy h ALA 110 N 0.80 1.81 0.08 0.17 0.00 -1.38 -1.21 119.26 119.53 1ovy h ALA 110 Ca 0.05 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1ovy h ALA 110 Cb 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ovy h ALA 110 CO 0.01 -0.41 -0.96 0.22 0.00 0.00 0.00 179.25 178.11 1ovy h ASP 111 N 0.00 0.27 -0.39 0.00 1.82 0.35 -2.75 116.42 115.72 1ovy h ASP 111 Ca 0.11 -0.85 0.04 0.00 -0.39 0.00 0.00 57.03 55.94 1ovy h ASP 111 Cb 0.69 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.54 1ovy h ASP 111 CO -0.00 1.42 -0.48 0.00 -1.61 0.00 0.00 179.24 178.57 1ovy h ALA 112 N -0.07 -0.70 0.21 -0.78 0.00 0.26 1.30 119.26 119.49 1ovy h ALA 112 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ovy h ALA 112 Cb 1.51 1.09 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1ovy h ALA 112 CO 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 179.25 178.24 1ovy h ALA 113 N -0.19 -0.29 0.68 0.00 0.00 -1.72 -3.08 119.26 114.67 1ovy h ALA 113 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ovy h ALA 113 Cb 0.50 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ovy h ALA 113 CO -0.53 -0.37 -0.44 -0.09 0.00 0.00 0.00 179.25 177.82 1ovy h ARG 114 N -0.86 -1.02 -0.65 0.00 1.12 -1.35 -0.81 114.38 110.81 1ovy h ARG 114 Ca -0.03 0.07 0.11 0.00 -1.11 0.00 0.00 59.98 59.02 1ovy h ARG 114 Cb 0.51 0.23 -0.12 0.00 -0.01 0.00 0.00 29.97 30.58 1ovy h ARG 114 CO 0.05 -0.68 -0.36 1.49 -3.11 0.00 0.00 179.97 177.36 1ovy h GLU 115 N -1.06 -0.14 -0.21 0.20 4.57 0.15 1.47 114.58 119.57 1ovy h GLU 115 Ca -0.09 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1ovy h GLU 115 Cb 0.86 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1ovy h GLU 115 CO 0.08 -0.09 0.25 0.00 -1.18 0.00 0.00 179.01 178.06 1ovy h ALA 116 N 0.99 1.82 0.00 2.92 0.00 -1.44 -3.45 119.26 120.10 1ovy h ALA 116 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ovy h ALA 116 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ovy h ALA 116 CO -0.73 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 178.57 1ovy n GLY 117 N -1.40 0.69 3.79 0.00 0.00 0.50 -5.11 105.19 103.66 1ovy n GLY 117 Ca 0.02 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1ovy n GLY 117 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ovy s LEU 118 N 0.00 3.89 -0.14 0.99 0.05 -0.37 -4.81 118.68 118.28 1ovy s LEU 118 Ca 0.00 2.01 -0.04 0.00 0.05 0.00 0.00 54.13 56.15 1ovy s LEU 118 Cb 0.00 -4.48 0.05 0.00 -2.05 0.00 0.00 46.19 39.71 1ovy s LEU 118 CO 0.00 -0.81 0.08 -1.61 -0.55 0.00 0.00 176.35 173.45 1ovy s GLU 119 N -3.09 0.10 0.00 1.48 2.02 -1.24 -4.94 118.70 113.03 1ovy s GLU 119 Ca 0.66 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.65 1ovy s GLU 119 Cb -0.19 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.50 1ovy s GLU 119 CO 0.23 -0.58 0.00 0.34 0.02 0.00 0.00 175.26 175.27