#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 2.90 0.00 2.61 5.66 -1.26 -4.68 114.28 119.51 1ovy n THR 25 Ca 0.00 -5.05 0.00 0.00 -3.05 0.00 0.00 64.05 55.95 1ovy n THR 25 Cb 0.00 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.47 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 -0.42 0.00 -3.60 1.09 -1.04 -1.26 -5.11 114.28 103.94 1ovy n THR 26 Ca 0.40 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.42 1ovy n THR 26 Cb 0.52 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.02 1ovy n THR 26 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1ovy s GLU 27 N 0.00 0.02 -0.78 -2.82 2.12 -1.26 -5.04 118.70 110.93 1ovy s GLU 27 Ca 0.00 -0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.31 1ovy s GLU 27 Cb 0.00 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1ovy s GLU 27 CO 0.00 -0.01 0.66 0.54 -0.54 0.00 0.00 175.26 175.92 1ovy n ARG 28 N -0.27 -4.42 -2.40 4.30 1.74 -1.26 -1.00 116.66 113.35 1ovy n ARG 28 Ca -0.03 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1ovy n ARG 28 Cb 0.60 -4.63 -0.03 0.00 -1.02 0.00 0.00 32.46 27.39 1ovy n ARG 28 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ovy s PRO 29 N -5.12 4.32 -0.04 5.56 0.04 -1.26 -3.19 135.00 135.32 1ovy s PRO 29 Ca 0.10 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 1ovy s PRO 29 Cb -0.04 -3.60 0.11 0.00 0.04 0.00 0.00 34.50 31.01 1ovy s PRO 29 CO 0.46 -0.51 1.13 1.03 0.04 0.00 0.00 177.00 179.15 1ovy s ARG 30 N 2.46 0.59 0.27 4.56 3.00 0.18 -3.64 118.95 126.37 1ovy s ARG 30 Ca 0.57 -0.28 -0.29 0.00 0.00 0.00 0.00 55.73 55.72 1ovy s ARG 30 Cb -0.26 0.23 -0.10 0.00 0.00 0.00 0.00 34.95 34.83 1ovy s ARG 30 CO 0.22 -0.27 1.34 -1.17 0.00 0.00 0.00 175.30 175.42 1ovy s LEU 31 N -2.64 4.42 -0.20 2.53 0.20 -0.99 -2.71 118.68 119.29 1ovy s LEU 31 Ca 0.11 2.59 -0.04 0.00 0.69 0.00 0.00 54.13 57.47 1ovy s LEU 31 Cb 0.01 -3.63 -0.02 0.00 -0.43 0.00 0.00 46.19 42.12 1ovy s LEU 31 CO -0.04 -0.57 -0.02 -0.94 -0.29 0.00 0.00 176.35 174.50 1ovy s SER 32 N -0.03 4.66 -0.31 3.68 1.04 0.31 -2.64 113.70 120.40 1ovy s SER 32 Ca 0.54 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.75 1ovy s SER 32 Cb -0.39 -1.79 0.09 0.00 0.10 0.00 0.00 66.02 64.02 1ovy s SER 32 CO 0.46 0.05 -0.00 0.68 0.98 0.00 0.00 173.24 175.41 1ovy s VAL 33 N 1.06 2.25 0.11 5.02 -7.23 -1.26 -1.23 120.40 119.12 1ovy s VAL 33 Ca 0.02 -2.11 -0.01 0.00 -1.81 0.00 0.00 61.98 58.07 1ovy s VAL 33 Cb -0.14 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1ovy s VAL 33 CO 0.01 -0.41 0.04 0.72 -0.31 0.00 0.00 175.10 175.16 1ovy s PHE 34 N 0.97 0.76 -0.43 2.82 -0.71 -1.00 -4.66 117.98 115.73 1ovy s PHE 34 Ca 0.04 -1.18 -0.16 0.00 -1.04 0.00 0.00 56.93 54.59 1ovy s PHE 34 Cb -0.19 -0.44 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 1ovy s PHE 34 CO -0.07 -0.49 0.38 -0.98 -1.34 0.00 0.00 175.22 172.72 1ovy s ARG 35 N -4.02 3.02 -1.19 1.99 1.70 -1.26 0.12 118.95 119.31 1ovy s ARG 35 Ca 0.20 -0.98 -0.20 0.00 -0.47 0.00 0.00 55.73 54.28 1ovy s ARG 35 Cb 0.07 -4.01 0.05 0.00 -0.57 0.00 0.00 34.95 30.49 1ovy s ARG 35 CO -0.01 -0.86 1.67 -1.12 -1.08 0.00 0.00 175.30 173.91 1ovy s SER 36 N 1.93 6.53 -0.08 -2.89 0.01 0.53 -4.64 113.70 115.09 1ovy s SER 36 Ca 0.08 -2.01 -0.07 0.00 1.31 0.00 0.00 55.95 55.25 1ovy s SER 36 Cb -0.19 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.47 1ovy s SER 36 CO 0.11 -1.48 0.12 -3.20 0.41 0.00 0.00 173.24 169.19 1ovy n ASN 37 N 9.23 -4.77 0.00 2.44 2.85 -1.26 -1.96 115.26 121.79 1ovy n ASN 37 Ca 0.43 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 55.11 1ovy n ASN 37 Cb 0.48 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 40.30 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ovy n LYS 38 N 0.81 0.00 -4.41 1.20 5.02 -1.26 -4.98 118.16 114.54 1ovy n LYS 38 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1ovy n LYS 38 Cb 0.41 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.29 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 -0.74 2.97 -0.50 2.13 3.76 -0.83 -4.78 115.29 117.30 1ovy s HIS 39 Ca 0.00 -0.47 -0.27 0.00 -0.15 0.00 0.00 55.06 54.18 1ovy s HIS 39 Cb 0.00 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1ovy s HIS 39 CO 0.00 -0.16 2.13 0.42 -0.85 0.00 0.00 174.74 176.28 1ovy s ILE 40 N 0.54 3.18 0.04 0.60 -1.09 -1.26 0.20 121.20 123.41 1ovy s ILE 40 Ca -0.04 0.13 -0.27 0.00 -2.23 0.00 0.00 60.65 58.24 1ovy s ILE 40 Cb -0.15 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1ovy s ILE 40 CO 0.03 -0.39 0.83 -0.47 -1.23 0.00 0.00 174.94 173.71 1ovy s TYR 41 N 10.21 3.72 -0.14 3.97 6.14 0.32 -4.74 117.35 136.83 1ovy s TYR 41 Ca 0.84 1.55 -0.05 0.00 0.64 0.00 0.00 57.07 60.06 1ovy s TYR 41 Cb -0.17 -2.92 -0.04 0.00 0.42 0.00 0.00 41.96 39.26 1ovy s TYR 41 CO 0.25 0.19 0.03 0.00 0.64 0.00 0.00 175.55 176.66 1ovy s ALA 42 N 0.23 3.30 -0.17 3.97 0.00 -1.11 -2.39 121.76 125.60 1ovy s ALA 42 Ca 0.42 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1ovy s ALA 42 Cb -0.21 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.26 1ovy s ALA 42 CO 0.25 0.33 0.42 -1.14 0.00 0.00 0.00 175.76 175.62 1ovy s GLN 43 N -0.08 0.42 -0.39 0.00 2.00 -0.36 -1.35 119.66 119.89 1ovy s GLN 43 Ca 0.05 0.75 0.03 0.00 -2.00 0.00 0.00 55.36 54.19 1ovy s GLN 43 Cb -0.12 0.04 0.11 0.00 0.80 0.00 0.00 33.01 33.84 1ovy s GLN 43 CO 0.02 -0.14 0.14 0.42 -0.50 0.00 0.00 175.29 175.23 1ovy s ILE 44 N 1.14 1.89 -0.22 -2.34 1.01 -0.86 0.11 121.20 121.93 1ovy s ILE 44 Ca -0.07 -2.41 -0.07 0.00 0.00 0.00 0.00 60.65 58.09 1ovy s ILE 44 Cb -0.07 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1ovy s ILE 44 CO -0.10 -0.72 0.07 -0.51 0.00 0.00 0.00 174.94 173.68 1ovy s ILE 45 N 0.67 4.50 0.97 2.92 -1.16 -1.10 0.86 121.20 128.87 1ovy s ILE 45 Ca 0.13 -0.12 -0.19 0.00 -0.51 0.00 0.00 60.65 59.96 1ovy s ILE 45 Cb -0.21 -3.07 -0.02 0.00 0.61 0.00 0.00 42.46 39.77 1ovy s ILE 45 CO -0.08 0.38 -0.56 -0.90 -2.81 0.00 0.00 174.94 170.97 1ovy n ASP 46 N 4.39 -2.69 0.00 4.50 5.75 0.10 -1.12 116.55 127.48 1ovy n ASP 46 Ca -0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 1ovy n ASP 46 Cb 0.52 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.04 0.00 -0.09 -1.12 -0.08 -1.24 0.50 116.55 115.56 1ovy n ASP 47 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.19 1ovy n ASP 47 Cb 0.55 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.85 1ovy n ASP 47 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ovy n THR 48 N 0.00 1.40 -2.05 5.18 -2.24 -1.26 -4.67 114.28 110.64 1ovy n THR 48 Ca 0.00 -0.85 -0.06 0.00 -2.27 0.00 0.00 64.05 60.87 1ovy n THR 48 Cb 0.00 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.78 0.14 0.00 -0.78 5.02 -1.26 -4.88 118.16 113.63 1ovy n LYS 49 Ca -0.31 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1ovy n LYS 49 Cb 1.14 0.49 0.00 0.00 -0.02 0.00 0.00 35.03 36.64 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 -0.16 0.00 0.00 4.39 7.64 -1.26 -1.95 113.62 122.27 1ovy n SER 50 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1ovy n SER 50 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 -3.00 0.00 -2.34 -0.43 0.00 -1.26 -3.71 120.51 109.77 1ovy n ALA 51 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1ovy n ALA 51 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 4.91 -2.15 0.00 -4.23 -1.26 -4.07 115.64 108.83 1ovy s THR 52 Ca 0.00 0.26 0.20 0.00 -1.18 0.00 0.00 61.69 60.97 1ovy s THR 52 Cb 0.00 -3.78 0.38 0.00 1.34 0.00 0.00 72.50 70.45 1ovy s THR 52 CO 0.00 -0.55 1.33 -0.38 -0.54 0.00 0.00 174.62 174.48 1ovy n ILE 53 N -1.48 0.53 -3.01 2.99 5.41 -0.83 0.02 119.36 122.99 1ovy n ILE 53 Ca 0.00 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 62.98 1ovy n ILE 53 Cb 0.54 0.94 0.00 0.00 -0.71 0.00 0.00 39.64 40.41 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 1.30 0.00 0.00 1.39 0.24 0.25 -4.39 118.33 117.12 1ovy n VAL 54 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1ovy n VAL 54 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1ovy n VAL 54 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1ovy n SER 55 N -1.07 1.54 -3.57 -1.34 2.88 -1.26 -2.02 113.62 108.77 1ovy n SER 55 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1ovy n SER 55 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ovy n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ovy s ALA 56 N -1.00 -1.97 0.00 -1.46 0.00 -0.46 -4.87 121.76 112.00 1ovy s ALA 56 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1ovy s ALA 56 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1ovy s ALA 56 CO 0.00 -0.52 0.00 0.43 0.00 0.00 0.00 175.76 175.67 1ovy n SER 57 N 0.11 0.00 -4.15 0.00 7.64 -1.26 -2.77 113.62 113.19 1ovy n SER 57 Ca -0.05 -0.59 -0.37 0.00 1.01 0.00 0.00 58.87 58.87 1ovy n SER 57 Cb 0.59 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.83 1ovy n SER 57 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ovy n THR 58 N 0.00 0.18 -1.10 0.44 5.66 -1.26 -2.29 114.28 115.90 1ovy n THR 58 Ca 0.00 -0.47 -0.04 0.00 -3.05 0.00 0.00 64.05 60.49 1ovy n THR 58 Cb 0.00 -0.10 -0.02 0.00 -1.55 0.00 0.00 70.33 68.66 1ovy n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ovy n LEU 59 N 2.54 -0.15 0.00 1.09 -0.00 -1.26 -4.99 117.00 114.23 1ovy n LEU 59 Ca 0.03 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1ovy n LEU 59 Cb 0.52 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 1ovy n LEU 59 CO 0.53 -0.29 0.00 -0.67 -0.00 0.00 0.00 177.39 176.96 1ovy n ASP 60 N 0.53 0.00 -0.02 1.45 2.03 -0.97 -4.86 116.55 114.72 1ovy n ASP 60 Ca -0.04 -0.06 -0.01 0.00 0.52 0.00 0.00 54.79 55.20 1ovy n ASP 60 Cb 0.17 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.00 0.00 -0.33 -0.67 1.63 -1.95 -3.18 116.57 112.06 1ovy h LYS 61 Ca 0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1ovy h LYS 61 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1ovy h LYS 61 CO 0.00 0.00 0.36 0.93 -3.45 0.00 0.00 179.45 177.29 1ovy h GLU 62 N -0.24 0.00 0.08 1.90 3.07 -1.98 0.57 114.58 117.99 1ovy h GLU 62 Ca 0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.59 1ovy h GLU 62 Cb 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1ovy h GLU 62 CO 0.00 0.00 -1.15 0.74 -1.40 0.00 0.00 179.01 177.20 1ovy h PHE 63 N 0.00 0.79 -6.13 4.33 0.04 -1.93 -3.48 116.94 110.56 1ovy h PHE 63 Ca 0.16 -0.49 -0.40 0.00 2.80 0.00 0.00 57.97 60.04 1ovy h PHE 63 Cb 0.89 -0.07 0.10 0.00 2.20 0.00 0.00 35.95 39.06 1ovy h PHE 63 CO 0.00 1.34 -0.91 0.41 -0.60 0.00 0.00 178.31 178.55 1ovy n GLY 64 N 1.27 -1.03 2.06 -1.45 0.00 0.19 -4.43 105.19 101.80 1ovy n GLY 64 Ca -0.10 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.96 -5.45 -1.64 0.99 4.32 -1.26 -4.95 117.00 105.05 1ovy n LEU 65 Ca -0.09 2.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.99 1ovy n LEU 65 Cb 0.59 -2.70 0.00 0.00 -1.62 0.00 0.00 43.42 39.69 1ovy n LEU 65 CO 0.66 -2.33 -0.28 -0.67 -1.22 0.00 0.00 177.39 173.55 1ovy n ASP 66 N 1.36 -6.26 0.00 -1.43 -0.08 -1.26 -4.96 116.55 103.93 1ovy n ASP 66 Ca -0.05 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1ovy n ASP 66 Cb 0.07 -3.41 0.00 0.00 2.34 0.00 0.00 41.12 40.12 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 1.08 0.00 0.17 1.67 2.88 -1.26 -4.94 113.62 113.22 1ovy n SER 67 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1ovy n SER 67 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 1ovy n SER 67 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ovy h THR 68 N 0.00 0.00 -1.73 2.46 2.02 -1.91 -3.05 112.91 110.71 1ovy h THR 68 Ca 0.00 -0.03 0.54 0.00 0.77 0.00 0.00 66.41 67.69 1ovy h THR 68 Cb 0.00 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 66.87 1ovy h THR 68 CO 0.00 0.00 1.20 -0.55 0.37 0.00 0.00 175.52 176.54 1ovy h ASN 69 N 0.00 0.09 -3.61 4.18 7.08 -1.92 -3.34 115.58 118.05 1ovy h ASN 69 Ca 0.00 0.07 -0.68 0.00 -3.08 0.00 0.00 56.30 52.61 1ovy h ASN 69 Cb 0.04 0.07 -0.20 0.00 -2.08 0.00 0.00 38.32 36.16 1ovy h ASN 69 CO 0.00 -0.12 -0.70 0.21 -2.08 0.00 0.00 177.43 174.74 1ovy s ASN 70 N -4.04 4.61 0.58 6.14 3.04 -1.15 -4.63 114.94 119.48 1ovy s ASN 70 Ca -0.06 -0.06 0.37 0.00 0.04 0.00 0.00 52.86 53.15 1ovy s ASN 70 Cb 0.29 -1.26 1.38 0.00 -1.54 0.00 0.00 41.25 40.12 1ovy s ASN 70 CO 0.87 0.32 1.56 0.40 -3.04 0.00 0.00 177.10 177.22 1ovy h ILE 71 N 4.44 0.12 -0.08 -5.21 1.08 -1.89 -1.86 117.51 114.11 1ovy h ILE 71 Ca -0.45 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1ovy h ILE 71 Cb 1.18 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 1ovy h ILE 71 CO 0.54 0.00 -0.52 -0.08 -0.69 0.00 0.00 178.15 177.40 1ovy h GLU 72 N 0.00 -0.57 0.99 2.37 4.57 -1.89 0.26 114.58 120.31 1ovy h GLU 72 Ca 0.62 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.79 1ovy h GLU 72 Cb 2.86 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 31.59 1ovy h GLU 72 CO -0.01 -0.38 -0.48 0.00 -1.18 0.00 0.00 179.01 176.96 1ovy h ALA 73 N -0.40 -1.33 -0.55 2.92 0.00 -1.51 -2.02 119.26 116.37 1ovy h ALA 73 Ca 0.02 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 54.80 1ovy h ALA 73 Cb 0.67 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ovy h ALA 73 CO -0.39 -1.24 0.55 0.00 0.00 0.00 0.00 179.25 178.17 1ovy h ALA 74 N -1.34 2.32 0.00 0.00 0.00 -1.62 1.26 119.26 119.88 1ovy h ALA 74 Ca -0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1ovy h ALA 74 Cb 1.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ovy h ALA 74 CO 0.22 -0.83 -0.60 -0.22 0.00 0.00 0.00 179.25 177.83 1ovy h LYS 75 N 0.00 0.00 0.73 0.00 3.64 0.09 0.82 116.57 121.85 1ovy h LYS 75 Ca 0.26 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1ovy h LYS 75 Cb 1.35 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1ovy h LYS 75 CO -0.00 0.60 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.20 1ovy h LYS 76 N 0.00 -0.95 0.05 1.90 3.64 0.23 -2.68 116.57 118.77 1ovy h LYS 76 Ca -0.01 0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1ovy h LYS 76 Cb 1.14 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1ovy h LYS 76 CO 0.08 -0.63 -0.84 0.28 -2.27 0.00 0.00 179.45 176.06 1ovy h VAL 77 N -1.12 1.31 -1.20 2.00 2.07 -1.59 -3.04 116.25 114.69 1ovy h VAL 77 Ca -0.10 -2.35 0.35 0.00 0.82 0.00 0.00 66.70 65.42 1ovy h VAL 77 Cb 0.75 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.35 1ovy h VAL 77 CO 0.17 0.58 0.89 1.23 0.02 0.00 0.00 177.57 180.45 1ovy h GLY 78 N -0.60 0.00 0.11 2.17 0.00 0.52 0.25 103.07 105.52 1ovy h GLY 78 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1ovy h GLY 78 CO -0.02 0.00 -0.03 -2.09 0.00 0.00 0.00 176.54 174.41 1ovy h GLU 79 N 0.00 -0.07 -0.59 4.80 4.81 -1.55 -2.68 114.58 119.30 1ovy h GLU 79 Ca 0.57 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.89 1ovy h GLU 79 Cb 2.35 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 31.64 1ovy h GLU 79 CO -0.01 0.39 -0.45 1.25 -0.73 0.00 0.00 179.01 179.47 1ovy h LEU 80 N -0.97 -1.55 -0.94 1.64 5.85 -0.86 0.56 115.31 119.05 1ovy h LEU 80 Ca -0.01 0.25 0.10 0.00 0.84 0.00 0.00 57.88 59.06 1ovy h LEU 80 Cb 0.50 0.70 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 1ovy h LEU 80 CO 0.01 -0.34 0.58 1.62 -0.34 0.00 0.00 178.44 179.97 1ovy h VAL 81 N -0.23 0.95 -0.58 1.05 3.04 -1.42 -1.36 116.25 117.70 1ovy h VAL 81 Ca 0.17 -0.33 0.08 0.00 -1.01 0.00 0.00 66.70 65.61 1ovy h VAL 81 Cb 0.56 -0.09 -0.06 0.00 -2.01 0.00 0.00 31.29 29.69 1ovy h VAL 81 CO -0.69 0.17 0.25 0.00 -1.01 0.00 0.00 177.57 176.29 1ovy h ALA 82 N 1.49 0.76 0.76 3.17 0.00 0.38 -0.45 119.26 125.37 1ovy h ALA 82 Ca 0.45 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1ovy h ALA 82 Cb 0.39 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ovy h ALA 82 CO -0.24 -0.14 -0.36 -0.22 0.00 0.00 0.00 179.25 178.29 1ovy h LYS 83 N 0.46 -0.98 -1.18 0.00 3.64 0.18 -2.53 116.57 116.17 1ovy h LYS 83 Ca 0.28 0.07 0.34 0.00 -1.27 0.00 0.00 60.65 60.07 1ovy h LYS 83 Cb 0.29 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 1ovy h LYS 83 CO -0.25 -0.65 0.78 0.07 -2.27 0.00 0.00 179.45 177.13 1ovy h ARG 84 N -1.10 0.21 -0.23 1.90 0.11 -1.32 0.85 114.38 114.80 1ovy h ARG 84 Ca -0.10 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.02 1ovy h ARG 84 Cb 0.78 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.76 1ovy h ARG 84 CO 0.17 0.14 -0.10 0.00 0.10 0.00 0.00 179.97 180.28 1ovy h ALA 85 N 1.56 0.09 -0.91 0.08 0.00 -0.67 0.16 119.26 119.57 1ovy h ALA 85 Ca 0.67 0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.90 1ovy h ALA 85 Cb 2.04 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 20.03 1ovy h ALA 85 CO -0.28 -0.52 0.62 1.37 0.00 0.00 0.00 179.25 180.44 1ovy h LEU 86 N -0.07 0.26 -1.38 0.00 8.10 0.11 1.43 115.31 123.76 1ovy h LEU 86 Ca 0.12 0.03 -0.04 0.00 0.11 0.00 0.00 57.88 58.10 1ovy h LEU 86 Cb 0.26 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 1ovy h LEU 86 CO -0.28 0.09 -0.21 -0.33 -4.11 0.00 0.00 178.44 173.60 1ovy h GLU 87 N 0.25 0.00 0.00 0.17 5.08 -0.52 -3.43 114.58 116.13 1ovy h GLU 87 Ca 0.47 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.57 1ovy h GLU 87 Cb 1.40 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.68 1ovy h GLU 87 CO -0.13 0.21 0.01 1.63 -1.00 0.00 0.00 179.01 179.73 1ovy n LYS 88 N -3.50 0.54 -1.18 2.33 4.01 0.49 -5.01 118.16 115.83 1ovy n LYS 88 Ca -0.01 -1.57 0.13 0.00 -0.51 0.00 0.00 58.31 56.35 1ovy n LYS 88 Cb 0.37 -0.23 -0.06 0.00 -0.51 0.00 0.00 35.03 34.60 1ovy n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ovy n GLY 89 N 1.08 -2.09 0.26 0.72 0.00 -1.25 -4.39 105.19 99.53 1ovy n GLY 89 Ca 0.09 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 1ovy n GLY 89 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ovy h ILE 90 N -1.31 1.27 -3.83 -0.61 1.08 -1.60 -3.45 117.51 109.07 1ovy h ILE 90 Ca -0.10 -1.31 -0.40 0.00 -0.39 0.00 0.00 64.86 62.66 1ovy h ILE 90 Cb 1.15 1.22 -0.14 0.00 -3.07 0.00 0.00 36.82 35.98 1ovy h ILE 90 CO 0.04 0.44 -0.57 -1.59 -0.69 0.00 0.00 178.15 175.78 1ovy s LYS 91 N -4.60 1.56 1.26 2.37 -2.85 -1.08 -5.10 119.74 111.29 1ovy s LYS 91 Ca -0.09 -1.88 -0.20 0.00 -1.00 0.00 0.00 55.97 52.80 1ovy s LYS 91 Cb 0.13 -0.18 0.31 0.00 -2.06 0.00 0.00 37.83 36.03 1ovy s LYS 91 CO 0.83 -0.40 1.05 -0.65 0.10 0.00 0.00 175.35 176.27 1ovy s GLN 92 N -3.88 -1.71 -0.21 1.78 1.11 -1.07 -4.37 119.66 111.32 1ovy s GLN 92 Ca 0.36 0.06 -0.07 0.00 0.01 0.00 0.00 55.36 55.72 1ovy s GLN 92 Cb 0.06 -1.53 0.09 0.00 -1.01 0.00 0.00 33.01 30.62 1ovy s GLN 92 CO 0.16 -4.06 0.43 0.54 0.01 0.00 0.00 175.29 172.37 1ovy s VAL 93 N -2.75 -0.67 -0.49 1.09 0.11 -1.23 -4.07 120.40 112.39 1ovy s VAL 93 Ca 0.70 0.15 0.06 0.00 -2.93 0.00 0.00 61.98 59.96 1ovy s VAL 93 Cb -0.12 -0.69 0.18 0.00 -1.53 0.00 0.00 36.38 34.23 1ovy s VAL 93 CO 0.57 0.06 0.63 0.52 -3.33 0.00 0.00 175.10 173.55 1ovy n VAL 94 N 5.39 -0.33 0.00 2.04 0.31 -1.26 -4.91 118.33 119.57 1ovy n VAL 94 Ca -0.08 -1.66 0.00 0.00 -0.01 0.00 0.00 64.34 62.59 1ovy n VAL 94 Cb 0.49 0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 1ovy n VAL 94 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1ovy n PHE 95 N 2.91 0.00 -4.04 3.52 1.16 -1.26 -4.70 117.46 115.04 1ovy n PHE 95 Ca 0.21 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.77 1ovy n PHE 95 Cb 0.54 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.40 1ovy n PHE 95 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1ovy n ASP 96 N 0.00 0.87 -0.17 5.98 2.03 -1.08 -3.01 116.55 121.17 1ovy n ASP 96 Ca 0.00 -1.19 0.29 0.00 0.52 0.00 0.00 54.79 54.41 1ovy n ASP 96 Cb 0.00 0.10 0.69 0.00 -0.72 0.00 0.00 41.12 41.19 1ovy n ASP 96 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1ovy h ARG 97 N 0.00 0.00 0.06 -0.67 9.65 -1.92 0.64 114.38 122.14 1ovy h ARG 97 Ca -0.03 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.48 1ovy h ARG 97 Cb 0.11 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 1ovy h ARG 97 CO 0.04 0.00 -2.23 0.41 2.80 0.00 0.00 179.97 180.99 1ovy n GLY 98 N -1.67 -0.50 3.52 2.80 0.00 -1.26 -4.96 105.19 103.12 1ovy n GLY 98 Ca 0.19 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 2.09 -0.95 0.00 -0.02 0.00 0.21 -4.91 105.19 101.62 1ovy n GLY 99 Ca -0.38 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.87 0.00 0.09 1.61 0.18 -1.26 -4.36 117.16 112.55 1ovy n TYR 100 Ca 0.11 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.85 1ovy n TYR 100 Cb 0.41 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.50 1ovy n TYR 100 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1ovy h LEU 101 N 0.00 0.25 0.00 -3.48 3.38 -1.98 -3.49 115.31 109.98 1ovy h LEU 101 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ovy h LEU 101 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ovy h LEU 101 CO 0.00 0.78 0.00 -1.22 0.09 0.00 0.00 178.44 178.09 1ovy n TYR 102 N -3.88 0.00 -1.26 1.13 4.01 -1.26 -4.97 117.16 110.93 1ovy n TYR 102 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ovy n TYR 102 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 -4.99 115.22 108.24 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 -1.38 0.00 0.00 -0.12 0.00 0.00 29.99 28.49 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 -0.72 3.21 0.06 1.57 0.00 -1.26 -5.02 105.19 103.03 1ovy n GLY 104 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.36 -0.15 1.61 1.74 -1.26 -3.83 116.66 115.13 1ovy n ARG 105 Ca 0.00 0.45 -0.11 0.00 -0.77 0.00 0.00 57.85 57.41 1ovy n ARG 105 Cb 0.00 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.79 1.27 -1.59 1.55 -1.51 -1.93 -2.48 116.25 110.78 1ovy h VAL 106 Ca 0.00 -1.34 0.46 0.00 -1.23 0.00 0.00 66.70 64.59 1ovy h VAL 106 Cb 0.43 1.16 -0.06 0.00 -2.13 0.00 0.00 31.29 30.68 1ovy h VAL 106 CO 0.00 0.46 1.16 0.11 -1.23 0.00 0.00 177.57 178.07 1ovy h LYS 107 N 0.78 0.00 0.61 5.19 1.57 -1.95 0.08 116.57 122.85 1ovy h LYS 107 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1ovy h LYS 107 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1ovy h LYS 107 CO 0.06 0.00 -0.49 0.00 -0.57 0.00 0.00 179.45 178.45 1ovy h ALA 108 N 1.17 -1.17 0.24 3.86 0.00 -1.54 0.77 119.26 122.58 1ovy h ALA 108 Ca 0.75 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 1ovy h ALA 108 Cb 3.07 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 21.51 1ovy h ALA 108 CO -0.01 -1.19 -0.40 1.25 0.00 0.00 0.00 179.25 178.90 1ovy h LEU 109 N -1.07 -1.16 -2.09 0.00 5.85 -1.16 1.50 115.31 117.18 1ovy h LEU 109 Ca -0.08 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ovy h LEU 109 Cb 0.90 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ovy h LEU 109 CO -0.00 -0.47 0.32 0.00 -0.34 0.00 0.00 178.44 177.95 1ovy h ALA 110 N -0.93 1.51 0.17 1.25 0.00 -1.48 0.16 119.26 119.94 1ovy h ALA 110 Ca -0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1ovy h ALA 110 Cb 0.63 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ovy h ALA 110 CO -0.14 -0.37 -1.65 0.22 0.00 0.00 0.00 179.25 177.31 1ovy h ASP 111 N 0.00 0.57 -0.36 0.00 3.58 0.32 -2.05 116.42 118.48 1ovy h ASP 111 Ca 0.05 -0.92 0.08 0.00 0.42 0.00 0.00 57.03 56.65 1ovy h ASP 111 Cb 0.69 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 41.48 1ovy h ASP 111 CO -0.00 1.74 -0.15 0.00 -2.88 0.00 0.00 179.24 177.95 1ovy h ALA 112 N 0.07 0.14 0.21 -0.78 0.00 0.49 1.21 119.26 120.60 1ovy h ALA 112 Ca -0.33 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ovy h ALA 112 Cb 2.01 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1ovy h ALA 112 CO 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 179.25 178.78 1ovy h ALA 113 N 1.21 -0.28 -0.98 0.00 0.00 -1.59 -2.63 119.26 114.98 1ovy h ALA 113 Ca 0.18 -0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.26 1ovy h ALA 113 Cb 0.36 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1ovy h ALA 113 CO -0.42 -0.27 0.55 -0.09 0.00 0.00 0.00 179.25 179.02 1ovy h ARG 114 N -1.06 0.46 0.43 0.00 9.65 -1.28 0.89 114.38 123.47 1ovy h ARG 114 Ca -0.03 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1ovy h ARG 114 Cb 0.27 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1ovy h ARG 114 CO 0.05 0.30 -0.21 1.49 2.80 0.00 0.00 179.97 184.40 1ovy h GLU 115 N 0.47 -0.56 -0.69 0.20 4.81 0.14 -1.52 114.58 117.43 1ovy h GLU 115 Ca 0.66 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 60.12 1ovy h GLU 115 Cb 1.33 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 1ovy h GLU 115 CO -0.53 -0.33 0.65 0.00 -0.73 0.00 0.00 179.01 178.07 1ovy h ALA 116 N -0.11 2.50 0.00 2.92 0.00 -0.49 -3.43 119.26 120.65 1ovy h ALA 116 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ovy h ALA 116 Cb 0.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ovy h ALA 116 CO 0.10 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 178.75 1ovy n GLY 117 N -1.60 0.93 3.23 0.00 0.00 -0.43 -5.10 105.19 102.21 1ovy n GLY 117 Ca 0.14 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ovy n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ovy s LEU 118 N 0.00 5.11 0.12 0.99 1.02 -0.88 -4.88 118.68 120.16 1ovy s LEU 118 Ca 0.00 -1.62 -0.11 0.00 0.02 0.00 0.00 54.13 52.42 1ovy s LEU 118 Cb 0.00 -1.94 -0.06 0.00 0.02 0.00 0.00 46.19 44.21 1ovy s LEU 118 CO 0.00 -0.53 0.46 -1.61 0.02 0.00 0.00 176.35 174.69 1ovy s GLU 119 N 1.35 3.83 0.00 1.70 2.02 -1.26 -4.21 118.70 122.13 1ovy s GLU 119 Ca 0.03 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1ovy s GLU 119 Cb -0.23 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1ovy s GLU 119 CO 0.00 0.51 0.00 0.34 0.02 0.00 0.00 175.26 176.13