#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 0.07 2.61 -2.24 -1.26 -4.41 114.28 109.05 1ovy n THR 25 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ovy n THR 25 Cb 0.00 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1ovy n THR 25 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ovy n THR 26 N 0.02 0.00 0.06 4.28 -1.04 -1.26 -4.98 114.28 111.36 1ovy n THR 26 Ca -0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1ovy n THR 26 Cb 0.66 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.05 1ovy n THR 26 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1ovy h GLU 27 N 0.00 0.56 0.00 -2.82 4.22 -2.05 -3.48 114.58 111.01 1ovy h GLU 27 Ca 0.00 -0.70 0.00 0.00 0.08 0.00 0.00 59.36 58.74 1ovy h GLU 27 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ovy h GLU 27 CO 0.00 1.29 0.00 0.54 -2.18 0.00 0.00 179.01 178.66 1ovy n ARG 28 N -3.94 0.00 -0.80 1.92 1.74 -1.26 -4.86 116.66 109.46 1ovy n ARG 28 Ca -0.12 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.63 1ovy n ARG 28 Cb 0.87 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.45 1ovy n ARG 28 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ovy n PRO 29 N -0.27 -0.29 -3.60 5.56 -0.04 -1.24 0.16 135.00 135.28 1ovy n PRO 29 Ca 0.00 -0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1ovy n PRO 29 Cb 0.00 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 1ovy n PRO 29 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ovy s ARG 30 N -4.05 0.28 0.34 0.54 1.04 0.80 -3.19 118.95 114.70 1ovy s ARG 30 Ca 0.63 -0.15 -0.29 0.00 -1.04 0.00 0.00 55.73 54.88 1ovy s ARG 30 Cb -0.23 0.10 -0.11 0.00 -2.04 0.00 0.00 34.95 32.66 1ovy s ARG 30 CO 0.62 -0.13 1.54 -1.17 -0.04 0.00 0.00 175.30 176.12 1ovy s LEU 31 N -2.88 4.33 -0.23 -1.89 1.98 -1.00 -2.75 118.68 116.24 1ovy s LEU 31 Ca 0.14 3.02 0.01 0.00 -2.89 0.00 0.00 54.13 54.41 1ovy s LEU 31 Cb 0.05 -3.65 0.06 0.00 0.66 0.00 0.00 46.19 43.30 1ovy s LEU 31 CO -0.05 -0.91 -0.08 -0.94 -1.89 0.00 0.00 176.35 172.49 1ovy s SER 32 N 0.16 3.90 -0.41 3.68 1.04 0.21 -3.05 113.70 119.24 1ovy s SER 32 Ca 0.58 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 1ovy s SER 32 Cb -0.47 -1.29 0.06 0.00 0.10 0.00 0.00 66.02 64.41 1ovy s SER 32 CO 0.56 -0.20 0.27 0.68 0.98 0.00 0.00 173.24 175.53 1ovy s VAL 33 N 1.32 4.56 0.06 5.02 -7.23 -1.26 -1.97 120.40 120.89 1ovy s VAL 33 Ca -0.06 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1ovy s VAL 33 Cb -0.19 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1ovy s VAL 33 CO -0.06 -0.42 -0.04 0.72 -0.31 0.00 0.00 175.10 174.98 1ovy s PHE 34 N 1.52 0.60 -0.39 2.82 -0.71 -1.06 -4.96 117.98 115.80 1ovy s PHE 34 Ca 0.03 -0.93 -0.13 0.00 -1.04 0.00 0.00 56.93 54.86 1ovy s PHE 34 Cb -0.22 -0.40 0.02 0.00 -1.21 0.00 0.00 43.02 41.21 1ovy s PHE 34 CO 0.05 -0.28 0.25 -0.98 -1.34 0.00 0.00 175.22 172.92 1ovy s ARG 35 N -3.46 2.89 -1.04 1.99 1.70 -1.26 -0.46 118.95 119.31 1ovy s ARG 35 Ca 0.05 -1.05 -0.23 0.00 -0.47 0.00 0.00 55.73 54.03 1ovy s ARG 35 Cb 0.04 -3.84 -0.00 0.00 -0.57 0.00 0.00 34.95 30.58 1ovy s ARG 35 CO -0.07 -0.72 1.73 -1.54 -1.08 0.00 0.00 175.30 173.62 1ovy s SER 36 N 1.61 5.86 0.00 -2.89 1.04 0.46 -4.72 113.70 115.06 1ovy s SER 36 Ca 0.03 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1ovy s SER 36 Cb -0.19 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1ovy s SER 36 CO 0.08 -2.12 0.00 -3.20 0.98 0.00 0.00 173.24 168.98 1ovy n ASN 37 N 11.39 0.00 0.00 7.02 4.05 -1.26 -0.45 115.26 136.01 1ovy n ASN 37 Ca 0.39 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.42 1ovy n ASN 37 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ovy n LYS 38 N 0.00 -0.42 -5.17 1.20 5.02 -1.26 -5.03 118.16 112.50 1ovy n LYS 38 Ca 0.00 -0.40 -0.30 0.00 -2.02 0.00 0.00 58.31 55.59 1ovy n LYS 38 Cb 0.00 -0.90 -0.16 0.00 -0.02 0.00 0.00 35.03 33.95 1ovy n LYS 38 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ovy s HIS 39 N -0.06 2.21 -0.51 2.13 3.76 0.40 -4.53 115.29 118.69 1ovy s HIS 39 Ca 0.00 -0.57 -0.28 0.00 -0.15 0.00 0.00 55.06 54.06 1ovy s HIS 39 Cb 0.00 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.25 1ovy s HIS 39 CO 0.00 -0.14 1.46 0.42 -0.85 0.00 0.00 174.74 175.63 1ovy s ILE 40 N -0.28 3.78 -0.28 0.60 -1.09 -1.26 0.17 121.20 122.83 1ovy s ILE 40 Ca 0.01 0.70 -0.21 0.00 -2.23 0.00 0.00 60.65 58.93 1ovy s ILE 40 Cb -0.12 -4.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1ovy s ILE 40 CO 0.02 -1.01 0.65 -0.47 -1.23 0.00 0.00 174.94 172.89 1ovy s TYR 41 N 6.12 3.24 -0.19 3.97 6.14 0.39 -4.76 117.35 132.27 1ovy s TYR 41 Ca 0.57 0.72 -0.12 0.00 0.64 0.00 0.00 57.07 58.87 1ovy s TYR 41 Cb -0.12 -2.94 -0.05 0.00 0.42 0.00 0.00 41.96 39.27 1ovy s TYR 41 CO 0.27 -0.41 0.22 0.00 0.64 0.00 0.00 175.55 176.27 1ovy s ALA 42 N 2.59 3.63 -0.04 3.97 0.00 -1.13 -2.55 121.76 128.23 1ovy s ALA 42 Ca 0.26 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 1ovy s ALA 42 Cb -0.15 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.68 1ovy s ALA 42 CO 0.10 0.05 0.07 -1.14 0.00 0.00 0.00 175.76 174.83 1ovy s GLN 43 N 0.58 -0.06 -0.41 0.00 0.74 -0.83 -2.60 119.66 117.08 1ovy s GLN 43 Ca 0.12 0.36 -0.04 0.00 0.05 0.00 0.00 55.36 55.85 1ovy s GLN 43 Cb -0.12 -0.42 0.10 0.00 1.10 0.00 0.00 33.01 33.66 1ovy s GLN 43 CO 0.02 -0.29 0.21 0.42 -0.55 0.00 0.00 175.29 175.10 1ovy s ILE 44 N 1.92 3.51 -0.16 -2.34 1.01 -0.80 0.67 121.20 125.02 1ovy s ILE 44 Ca 0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 60.65 58.78 1ovy s ILE 44 Cb -0.12 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1ovy s ILE 44 CO -0.03 -0.62 -0.07 -0.51 0.00 0.00 0.00 174.94 173.71 1ovy s ILE 45 N 1.22 3.54 -0.49 2.92 1.10 -1.11 -2.40 121.20 125.99 1ovy s ILE 45 Ca 0.06 -0.48 -0.45 0.00 -0.51 0.00 0.00 60.65 59.27 1ovy s ILE 45 Cb -0.23 -2.54 -0.19 0.00 0.15 0.00 0.00 42.46 39.65 1ovy s ILE 45 CO -0.03 0.49 1.84 -0.90 -2.11 0.00 0.00 174.94 174.24 1ovy n ASP 46 N 3.72 1.09 0.00 4.50 5.75 -1.01 -0.14 116.55 130.46 1ovy n ASP 46 Ca -0.18 0.96 0.00 0.00 -0.01 0.00 0.00 54.79 55.56 1ovy n ASP 46 Cb 0.52 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1ovy n ASP 46 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ovy n ASP 47 N 5.65 0.00 -0.31 -1.12 2.03 -1.19 -2.49 116.55 119.11 1ovy n ASP 47 Ca 0.41 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.83 1ovy n ASP 47 Cb -0.04 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.41 1ovy n ASP 47 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ovy n THR 48 N 0.00 0.00 -1.94 5.18 -2.24 -1.26 -4.17 114.28 109.85 1ovy n THR 48 Ca 0.00 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1ovy n THR 48 Cb 0.00 0.99 0.10 0.00 -2.10 0.00 0.00 70.33 69.32 1ovy n THR 48 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ovy n LYS 49 N -0.55 2.41 -0.98 -0.78 5.02 -1.26 -5.10 118.16 116.91 1ovy n LYS 49 Ca 0.08 -3.63 0.13 0.00 -2.02 0.00 0.00 58.31 52.88 1ovy n LYS 49 Cb 0.41 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 1ovy n LYS 49 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ovy n SER 50 N -0.79 -5.88 0.00 4.39 7.64 -1.26 -4.51 113.62 113.21 1ovy n SER 50 Ca 0.29 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1ovy n SER 50 Cb 0.86 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.96 1ovy n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ovy n ALA 51 N -2.59 0.00 -2.27 -0.43 0.00 -1.26 -3.57 120.51 110.39 1ovy n ALA 51 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1ovy n ALA 51 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1ovy n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ovy s THR 52 N -2.50 4.83 -0.76 0.00 -4.23 -1.26 -4.40 115.64 107.32 1ovy s THR 52 Ca 0.00 0.53 0.03 0.00 -1.18 0.00 0.00 61.69 61.07 1ovy s THR 52 Cb 0.00 -3.71 0.31 0.00 1.34 0.00 0.00 72.50 70.44 1ovy s THR 52 CO 0.00 -0.40 1.17 0.00 -0.54 0.00 0.00 174.62 174.85 1ovy n ILE 53 N -1.01 3.91 -4.09 2.99 3.06 -1.24 -2.40 119.36 120.58 1ovy n ILE 53 Ca 0.02 -5.64 -0.15 0.00 -2.50 0.00 0.00 62.75 54.47 1ovy n ILE 53 Cb 0.54 -1.69 -0.04 0.00 0.54 0.00 0.00 39.64 38.99 1ovy n ILE 53 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1ovy s VAL 54 N -3.76 0.00 -2.10 9.51 -7.23 -1.01 -4.94 120.40 110.88 1ovy s VAL 54 Ca 0.42 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1ovy s VAL 54 Cb 0.20 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1ovy s VAL 54 CO -0.07 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.18 1ovy n SER 55 N -1.48 0.00 -3.59 4.85 3.41 -1.26 -1.91 113.62 113.64 1ovy n SER 55 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ovy n SER 55 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1ovy n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ovy s ALA 56 N -1.00 -2.39 0.00 7.33 0.00 -1.07 -4.87 121.76 119.76 1ovy s ALA 56 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1ovy s ALA 56 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1ovy s ALA 56 CO 0.00 -0.88 0.00 -1.13 0.00 0.00 0.00 175.76 173.75 1ovy n SER 57 N -0.33 0.00 -0.45 0.00 3.41 -1.26 -2.84 113.62 112.15 1ovy n SER 57 Ca -0.04 -0.80 0.41 0.00 -0.26 0.00 0.00 58.87 58.18 1ovy n SER 57 Cb 0.61 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.24 1ovy n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ovy h THR 58 N 0.80 0.06 0.00 6.66 1.03 -1.91 1.22 112.91 120.77 1ovy h THR 58 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.37 1ovy h THR 58 Cb 0.00 0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 67.15 1ovy h THR 58 CO 0.00 0.00 -0.14 -0.07 -0.01 0.00 0.00 175.52 175.30 1ovy h LEU 59 N 0.00 0.00 -9.21 0.00 4.07 -1.95 -2.89 115.31 105.33 1ovy h LEU 59 Ca 0.71 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 58.18 1ovy h LEU 59 Cb 3.20 0.00 0.25 0.00 1.08 0.00 0.00 40.66 45.19 1ovy h LEU 59 CO -0.01 0.14 -2.11 -0.67 -1.08 0.00 0.00 178.44 174.71 1ovy n ASP 60 N -3.25 -3.18 -0.07 -0.43 2.03 0.42 -4.54 116.55 107.54 1ovy n ASP 60 Ca 0.01 0.01 -0.08 0.00 0.52 0.00 0.00 54.79 55.25 1ovy n ASP 60 Cb 0.42 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.09 1ovy n ASP 60 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ovy h LYS 61 N -1.30 0.00 -0.61 -0.67 3.64 -1.89 -3.21 116.57 112.53 1ovy h LYS 61 Ca -0.44 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.12 1ovy h LYS 61 Cb 1.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1ovy h LYS 61 CO 0.26 0.30 0.66 0.93 -2.27 0.00 0.00 179.45 179.33 1ovy h GLU 62 N -1.00 0.00 -0.10 1.90 4.39 -1.97 0.34 114.58 118.14 1ovy h GLU 62 Ca -0.07 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 1ovy h GLU 62 Cb 0.59 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1ovy h GLU 62 CO -0.04 0.00 -0.54 0.74 -1.16 0.00 0.00 179.01 178.01 1ovy h PHE 63 N 0.00 0.74 -0.02 4.33 0.04 -1.90 -3.48 116.94 116.64 1ovy h PHE 63 Ca 0.29 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1ovy h PHE 63 Cb 1.61 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.65 1ovy h PHE 63 CO 0.00 1.12 0.00 0.41 -0.60 0.00 0.00 178.31 179.24 1ovy n GLY 64 N 0.73 1.60 2.55 -1.45 0.00 0.12 -4.23 105.19 104.52 1ovy n GLY 64 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 1ovy n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ovy n LEU 65 N -0.01 -0.02 0.00 0.99 4.77 -1.21 -4.84 117.00 116.67 1ovy n LEU 65 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1ovy n LEU 65 Cb 0.04 -1.91 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1ovy n LEU 65 CO 0.00 -0.68 0.00 -0.67 -1.33 0.00 0.00 177.39 174.71 1ovy n ASP 66 N -0.47 0.00 0.00 -1.43 -0.08 -1.09 -4.81 116.55 108.67 1ovy n ASP 66 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1ovy n ASP 66 Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 1ovy n ASP 66 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ovy n SER 67 N 0.00 0.00 0.00 1.67 2.88 -1.26 -5.00 113.62 111.91 1ovy n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ovy n SER 67 Cb 0.00 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1ovy n SER 67 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ovy n THR 68 N -1.85 0.00 -2.56 2.46 -1.04 -1.26 -4.29 114.28 105.74 1ovy n THR 68 Ca 0.00 0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 62.15 1ovy n THR 68 Cb 0.00 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 1ovy n THR 68 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ovy n ASN 69 N 0.00 -0.93 0.00 8.00 3.02 -1.26 -4.21 115.26 119.88 1ovy n ASN 69 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1ovy n ASN 69 Cb 0.00 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1ovy n ASN 69 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ovy n ASN 70 N -1.23 0.00 0.25 6.41 2.85 -1.26 -4.88 115.26 117.40 1ovy n ASN 70 Ca 0.03 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.68 1ovy n ASN 70 Cb 0.34 0.00 0.87 0.00 1.24 0.00 0.00 39.78 42.23 1ovy n ASN 70 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1ovy h ILE 71 N 1.00 0.21 -0.21 -1.44 1.08 -1.84 -3.02 117.51 113.29 1ovy h ILE 71 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1ovy h ILE 71 Cb 0.00 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 1ovy h ILE 71 CO 0.00 0.00 -0.28 -0.08 -0.69 0.00 0.00 178.15 177.10 1ovy h GLU 72 N 0.00 -0.19 0.18 2.37 4.22 -1.91 0.74 114.58 120.00 1ovy h GLU 72 Ca 0.06 0.01 -0.28 0.00 0.08 0.00 0.00 59.36 59.24 1ovy h GLU 72 Cb 0.59 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ovy h GLU 72 CO -0.00 -0.13 -1.30 0.00 -2.18 0.00 0.00 179.01 175.41 1ovy h ALA 73 N -0.66 -0.03 -0.87 2.92 0.00 -1.72 -3.06 119.26 115.84 1ovy h ALA 73 Ca 0.04 -0.89 0.16 0.00 0.00 0.00 0.00 54.91 54.22 1ovy h ALA 73 Cb 0.30 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1ovy h ALA 73 CO -0.30 0.67 0.57 0.00 0.00 0.00 0.00 179.25 180.18 1ovy h ALA 74 N 0.08 1.99 -0.32 0.00 0.00 -1.49 0.15 119.26 119.67 1ovy h ALA 74 Ca -0.24 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1ovy h ALA 74 Cb 1.91 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1ovy h ALA 74 CO 0.18 -0.24 -0.32 -0.22 0.00 0.00 0.00 179.25 178.65 1ovy h LYS 75 N 0.56 0.79 -0.30 0.00 3.11 0.43 1.29 116.57 122.45 1ovy h LYS 75 Ca 0.45 -0.42 0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1ovy h LYS 75 Cb 0.89 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 32.07 1ovy h LYS 75 CO -0.19 1.05 -0.39 -0.22 -2.81 0.00 0.00 179.45 176.89 1ovy h LYS 76 N 0.56 -0.26 0.15 1.90 3.11 -0.59 0.13 116.57 121.56 1ovy h LYS 76 Ca 0.05 0.02 -0.32 0.00 -2.81 0.00 0.00 60.65 57.58 1ovy h LYS 76 Cb 0.90 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1ovy h LYS 76 CO 0.08 -0.17 -1.65 0.28 -2.81 0.00 0.00 179.45 175.17 1ovy h VAL 77 N -0.27 0.93 -1.09 2.00 2.07 -1.57 -2.89 116.25 115.43 1ovy h VAL 77 Ca 0.05 -2.44 0.31 0.00 0.82 0.00 0.00 66.70 65.44 1ovy h VAL 77 Cb 0.41 2.70 -0.12 0.00 -1.52 0.00 0.00 31.29 32.77 1ovy h VAL 77 CO -0.42 0.80 0.68 1.23 0.02 0.00 0.00 177.57 179.88 1ovy h GLY 78 N 0.47 1.51 1.21 2.17 0.00 0.17 0.63 103.07 109.24 1ovy h GLY 78 Ca -0.34 -0.21 -0.33 0.00 0.00 0.00 0.00 47.33 46.45 1ovy h GLY 78 CO 0.12 -0.29 -1.54 1.05 0.00 0.00 0.00 176.54 175.88 1ovy h GLU 79 N 0.33 0.46 -0.79 4.80 -0.00 -0.86 -2.67 114.58 115.85 1ovy h GLU 79 Ca 0.68 -0.79 0.12 0.00 -0.00 0.00 0.00 59.36 59.37 1ovy h GLU 79 Cb 1.74 0.29 -0.08 0.00 -0.00 0.00 0.00 28.75 30.71 1ovy h GLU 79 CO -0.41 1.37 0.41 1.25 -0.00 0.00 0.00 179.01 181.62 1ovy h LEU 80 N 0.13 0.52 -0.58 3.06 6.46 0.24 0.11 115.31 125.24 1ovy h LEU 80 Ca -0.27 0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.41 1ovy h LEU 80 Cb 2.13 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 42.04 1ovy h LEU 80 CO 0.24 0.26 -0.51 1.62 -0.62 0.00 0.00 178.44 179.43 1ovy h VAL 81 N 0.64 1.32 -0.95 1.05 3.04 -0.25 -2.93 116.25 118.16 1ovy h VAL 81 Ca 0.41 -1.75 0.13 0.00 -1.01 0.00 0.00 66.70 64.48 1ovy h VAL 81 Cb 0.49 1.73 -0.09 0.00 -2.01 0.00 0.00 31.29 31.42 1ovy h VAL 81 CO -0.31 0.54 0.57 0.00 -1.01 0.00 0.00 177.57 177.37 1ovy h ALA 82 N 1.03 1.46 0.42 3.17 0.00 -0.47 1.11 119.26 125.98 1ovy h ALA 82 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ovy h ALA 82 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ovy h ALA 82 CO 0.10 0.11 -0.20 -0.22 0.00 0.00 0.00 179.25 179.03 1ovy h LYS 83 N 0.87 -0.55 -0.27 0.00 3.64 -1.13 0.50 116.57 119.64 1ovy h LYS 83 Ca 0.49 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.97 1ovy h LYS 83 Cb 0.57 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ovy h LYS 83 CO -0.30 -0.25 0.19 -0.09 -2.27 0.00 0.00 179.45 176.73 1ovy h ARG 84 N -0.85 0.11 0.06 1.90 9.65 -1.22 -2.32 114.38 121.70 1ovy h ARG 84 Ca -0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1ovy h ARG 84 Cb 0.56 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1ovy h ARG 84 CO 0.10 0.07 -0.03 0.00 2.80 0.00 0.00 179.97 182.91 1ovy h ALA 85 N 1.86 -0.08 0.00 2.80 0.00 0.15 -2.98 119.26 121.02 1ovy h ALA 85 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ovy h ALA 85 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ovy h ALA 85 CO -0.01 -0.19 0.05 1.37 0.00 0.00 0.00 179.25 180.47 1ovy h LEU 86 N -0.79 0.00 0.00 0.00 8.10 0.41 -2.28 115.31 120.75 1ovy h LEU 86 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1ovy h LEU 86 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1ovy h LEU 86 CO 0.01 0.00 -0.16 -0.33 -4.11 0.00 0.00 178.44 173.85 1ovy h GLU 87 N 0.00 0.00 -0.00 0.17 5.08 -1.43 -2.63 114.58 115.77 1ovy h GLU 87 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ovy h GLU 87 Cb 0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1ovy h GLU 87 CO 0.00 0.00 -0.33 0.87 -1.00 0.00 0.00 179.01 178.55 1ovy h LYS 88 N -0.80 -0.46 0.00 2.33 6.56 -1.37 -0.08 116.57 122.75 1ovy h LYS 88 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1ovy h LYS 88 Cb 0.16 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1ovy h LYS 88 CO 0.00 -0.31 0.19 0.78 -2.06 0.00 0.00 179.45 178.05 1ovy h GLY 89 N -0.48 0.00 0.00 3.86 0.00 -1.46 -3.39 103.07 101.59 1ovy h GLY 89 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ovy h GLY 89 CO -0.27 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.66 1ovy n ILE 90 N -2.75 0.00 -4.11 2.60 2.08 -0.04 -4.65 119.36 112.49 1ovy n ILE 90 Ca -0.02 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.18 1ovy n ILE 90 Cb 0.24 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.04 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 -0.32 1.21 0.32 0.38 1.02 -0.99 -4.86 119.74 116.50 1ovy s LYS 91 Ca 0.00 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.27 1ovy s LYS 91 Cb 0.00 0.32 -0.10 0.00 -0.52 0.00 0.00 37.83 37.53 1ovy s LYS 91 CO 0.00 -0.42 1.29 -0.65 -0.92 0.00 0.00 175.35 174.64 1ovy s GLN 92 N -4.08 4.39 -0.20 1.68 1.11 -1.18 -4.12 119.66 117.25 1ovy s GLN 92 Ca 0.29 2.17 -0.04 0.00 0.01 0.00 0.00 55.36 57.78 1ovy s GLN 92 Cb 0.05 -3.09 0.10 0.00 -1.01 0.00 0.00 33.01 29.06 1ovy s GLN 92 CO 0.07 -0.15 0.32 0.54 0.01 0.00 0.00 175.29 176.08 1ovy s VAL 93 N -1.05 -0.49 -0.48 1.09 0.11 -1.26 -0.56 120.40 117.75 1ovy s VAL 93 Ca 0.49 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 1ovy s VAL 93 Cb -0.39 -0.67 0.19 0.00 -1.53 0.00 0.00 36.38 33.97 1ovy s VAL 93 CO 0.51 -0.06 0.68 0.68 -3.33 0.00 0.00 175.10 173.57 1ovy s VAL 94 N 2.47 -0.96 -0.32 2.04 -7.23 -1.26 -4.85 120.40 110.30 1ovy s VAL 94 Ca 0.07 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 1ovy s VAL 94 Cb -0.14 -0.04 0.19 0.00 0.56 0.00 0.00 36.38 36.94 1ovy s VAL 94 CO -0.13 -0.04 1.04 0.72 -0.31 0.00 0.00 175.10 176.38 1ovy s PHE 95 N 1.18 -0.43 1.09 2.82 -0.71 -1.26 -4.02 117.98 116.65 1ovy s PHE 95 Ca 0.25 0.12 -0.20 0.00 -1.04 0.00 0.00 56.93 56.06 1ovy s PHE 95 Cb -0.02 0.08 0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1ovy s PHE 95 CO -0.06 -0.28 -0.26 -3.47 -1.34 0.00 0.00 175.22 169.81 1ovy n ASP 96 N 4.11 -2.54 -0.31 1.98 2.03 -1.17 -4.69 116.55 115.97 1ovy n ASP 96 Ca 0.07 -0.07 0.34 0.00 0.52 0.00 0.00 54.79 55.65 1ovy n ASP 96 Cb 0.62 -0.89 0.61 0.00 -0.72 0.00 0.00 41.12 40.74 1ovy n ASP 96 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1ovy h ARG 97 N -1.83 0.00 0.00 -0.67 0.11 -1.97 -3.34 114.38 106.68 1ovy h ARG 97 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1ovy h ARG 97 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1ovy h ARG 97 CO 0.35 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.83 1ovy n GLY 98 N -1.75 0.64 1.50 0.08 0.00 -1.26 -5.08 105.19 99.33 1ovy n GLY 98 Ca 0.27 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1ovy n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ovy n GLY 99 N 5.00 -3.48 0.00 -0.02 0.00 -1.26 -5.04 105.19 100.39 1ovy n GLY 99 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ovy n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ovy n TYR 100 N -3.04 0.00 0.40 1.61 4.11 -1.26 -4.97 117.16 114.01 1ovy n TYR 100 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.97 1ovy n TYR 100 Cb 0.49 0.00 0.40 0.00 -0.00 0.00 0.00 39.34 40.24 1ovy n TYR 100 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1ovy n LEU 101 N 0.00 0.37 -0.22 -3.48 4.77 -1.26 -4.94 117.00 112.24 1ovy n LEU 101 Ca 0.00 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1ovy n LEU 101 Cb 0.00 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1ovy n LEU 101 CO 0.00 -0.46 0.00 -1.22 -1.33 0.00 0.00 177.39 174.38 1ovy n TYR 102 N -1.92 0.00 0.00 -1.77 4.01 -1.26 -5.01 117.16 111.21 1ovy n TYR 102 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1ovy n TYR 102 Cb 0.18 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 1ovy n TYR 102 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1ovy n HIS 103 N 1.53 0.00 0.00 -0.72 8.25 -1.26 -5.03 115.22 117.99 1ovy n HIS 103 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ovy n HIS 103 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ovy n HIS 103 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ovy n GLY 104 N 0.00 4.91 0.14 -1.41 0.00 -1.26 -5.05 105.19 102.51 1ovy n GLY 104 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1ovy n GLY 104 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ovy n ARG 105 N 0.00 0.75 0.06 1.61 1.85 -1.26 -4.11 116.66 115.56 1ovy n ARG 105 Ca 0.00 0.26 -0.22 0.00 -1.00 0.00 0.00 57.85 56.89 1ovy n ARG 105 Cb 0.00 -1.71 -0.15 0.00 -1.05 0.00 0.00 32.46 29.55 1ovy n ARG 105 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 1ovy h VAL 106 N 0.07 1.13 0.00 8.89 -1.51 -1.95 -3.35 116.25 119.53 1ovy h VAL 106 Ca -0.42 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.54 1ovy h VAL 106 Cb 2.03 2.88 0.00 0.00 -2.13 0.00 0.00 31.29 34.07 1ovy h VAL 106 CO 0.09 0.77 0.00 0.29 -1.23 0.00 0.00 177.57 177.49 1ovy n LYS 107 N -3.83 0.06 -0.29 5.19 4.76 -1.26 -3.68 118.16 119.10 1ovy n LYS 107 Ca -0.21 0.33 0.02 0.00 -2.87 0.00 0.00 58.31 55.58 1ovy n LYS 107 Cb 0.97 -1.62 0.09 0.00 -1.84 0.00 0.00 35.03 32.64 1ovy n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ovy h ALA 108 N 2.38 0.47 -0.39 7.82 0.00 -1.71 2.14 119.26 129.97 1ovy h ALA 108 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1ovy h ALA 108 Cb 0.25 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ovy h ALA 108 CO 0.00 -0.44 -0.38 1.37 0.00 0.00 0.00 179.25 179.80 1ovy h LEU 109 N -0.01 1.00 -2.14 0.00 -0.00 -1.87 -1.21 115.31 111.07 1ovy h LEU 109 Ca 0.38 -0.46 0.06 0.00 -0.00 0.00 0.00 57.88 57.86 1ovy h LEU 109 Cb 0.60 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1ovy h LEU 109 CO -0.85 1.26 0.30 0.00 -0.00 0.00 0.00 178.44 179.15 1ovy h ALA 110 N 0.77 1.77 0.00 0.17 0.00 0.88 0.55 119.26 123.40 1ovy h ALA 110 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1ovy h ALA 110 Cb 0.97 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1ovy h ALA 110 CO 0.09 -0.41 -1.32 0.22 0.00 0.00 0.00 179.25 177.84 1ovy h ASP 111 N 0.00 0.00 0.65 0.00 1.82 0.41 -2.51 116.42 116.79 1ovy h ASP 111 Ca 0.10 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1ovy h ASP 111 Cb 0.70 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1ovy h ASP 111 CO -0.00 0.99 -0.45 0.00 -1.61 0.00 0.00 179.24 178.16 1ovy h ALA 112 N 1.01 -1.21 0.00 -0.78 0.00 0.11 1.00 119.26 119.39 1ovy h ALA 112 Ca -0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1ovy h ALA 112 Cb 1.87 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 1ovy h ALA 112 CO 0.11 -1.19 -0.40 0.00 0.00 0.00 0.00 179.25 177.77 1ovy h ALA 113 N -1.18 0.90 0.08 0.00 0.00 -1.69 -2.97 119.26 114.41 1ovy h ALA 113 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ovy h ALA 113 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ovy h ALA 113 CO 0.05 0.50 -0.04 -0.09 0.00 0.00 0.00 179.25 179.67 1ovy h ARG 114 N 0.00 -0.11 -0.96 0.00 1.12 -1.17 -0.72 114.38 112.54 1ovy h ARG 114 Ca -0.00 0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.01 1ovy h ARG 114 Cb 1.02 0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 30.93 1ovy h ARG 114 CO 0.05 0.36 0.61 1.49 -3.11 0.00 0.00 179.97 179.37 1ovy h GLU 115 N -0.64 0.84 0.00 0.20 4.57 0.99 0.65 114.58 121.20 1ovy h GLU 115 Ca -0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ovy h GLU 115 Cb 0.52 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ovy h GLU 115 CO 0.02 0.56 0.00 0.00 -1.18 0.00 0.00 179.01 178.41 1ovy h ALA 116 N 1.57 1.00 0.00 2.92 0.00 -1.45 -3.46 119.26 119.84 1ovy h ALA 116 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1ovy h ALA 116 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ovy h ALA 116 CO -0.25 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1ovy n GLY 117 N 0.31 0.79 3.62 0.00 0.00 0.22 -5.04 105.19 105.09 1ovy n GLY 117 Ca 0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1ovy n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ovy s LEU 118 N 0.00 3.82 -0.18 0.99 2.96 -0.64 -4.02 118.68 121.61 1ovy s LEU 118 Ca 0.00 1.52 -0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1ovy s LEU 118 Cb 0.00 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.22 1ovy s LEU 118 CO 0.00 -1.34 0.07 -1.61 -1.32 0.00 0.00 176.35 172.16 1ovy s GLU 119 N 4.84 0.28 0.00 1.98 0.41 0.27 -4.94 118.70 121.54 1ovy s GLU 119 Ca 0.72 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 55.07 1ovy s GLU 119 Cb -0.24 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1ovy s GLU 119 CO 0.30 -0.66 0.00 0.34 -0.49 0.00 0.00 175.26 174.75