#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ov8 s ASN 3 N 0.00 6.25 0.13 0.00 2.47 -1.26 -4.83 114.94 117.70 1ov8 s ASN 3 Ca 0.00 -1.01 -0.09 0.00 0.42 0.00 0.00 52.86 52.18 1ov8 s ASN 3 Cb 0.00 -2.56 -0.01 0.00 -1.45 0.00 0.00 41.25 37.23 1ov8 s ASN 3 CO 0.00 -1.74 0.24 0.00 -3.72 0.00 0.00 177.10 171.88 1ov8 s ALA 4 N 5.76 -0.07 0.94 1.71 0.00 -1.26 -4.80 121.76 124.03 1ov8 s ALA 4 Ca 0.45 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1ov8 s ALA 4 Cb -0.03 0.70 0.16 0.00 0.00 0.00 0.00 23.12 23.94 1ov8 s ALA 4 CO -0.00 -0.58 1.10 -1.25 0.00 0.00 0.00 175.76 175.02 1ov8 s PRO 5 N -3.92 0.89 0.00 0.00 0.04 -1.26 -4.20 135.00 126.54 1ov8 s PRO 5 Ca 0.12 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1ov8 s PRO 5 Cb 0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1ov8 s PRO 5 CO -0.05 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1ov8 n GLY 6 N -1.23 -0.88 0.00 0.56 0.00 -0.77 -4.93 105.19 97.94 1ov8 n GLY 6 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1ov8 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ov8 n GLY 7 N 0.00 3.89 0.22 -0.02 0.00 -1.26 -0.43 105.19 107.59 1ov8 n GLY 7 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.42 1ov8 n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ov8 h SER 8 N 0.00 0.00 -0.42 1.61 4.64 -0.93 -3.06 113.55 115.39 1ov8 h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ov8 h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ov8 h SER 8 CO 0.00 0.24 0.00 0.59 -0.87 0.00 0.00 176.83 176.79 1ov8 n ASN 9 N -4.14 3.32 -4.77 4.97 4.13 -0.51 -4.96 115.26 113.30 1ov8 n ASN 9 Ca -0.02 -1.97 -0.41 0.00 1.68 0.00 0.00 54.58 53.86 1ov8 n ASN 9 Cb 0.30 -0.27 -0.02 0.00 -1.54 0.00 0.00 39.78 38.25 1ov8 n ASN 9 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ov8 s VAL 10 N -1.45 2.52 0.04 2.41 1.01 -1.16 -1.15 120.40 122.62 1ov8 s VAL 10 Ca 0.39 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 1ov8 s VAL 10 Cb 0.22 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1ov8 s VAL 10 CO 0.31 0.12 0.02 0.68 0.00 0.00 0.00 175.10 176.23 1ov8 s VAL 11 N -0.99 0.16 -1.05 2.92 -7.23 -0.73 -4.87 120.40 108.61 1ov8 s VAL 11 Ca 0.51 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1ov8 s VAL 11 Cb -0.42 -0.96 0.30 0.00 0.56 0.00 0.00 36.38 35.85 1ov8 s VAL 11 CO 0.54 -0.72 1.33 0.59 -0.31 0.00 0.00 175.10 176.54 1ov8 n ASN 12 N 0.73 5.96 -4.16 4.85 3.02 -1.26 -4.54 115.26 119.86 1ov8 n ASN 12 Ca -0.18 -3.33 -0.11 0.00 -0.03 0.00 0.00 54.58 50.93 1ov8 n ASN 12 Cb 0.59 -1.24 -0.10 0.00 -0.61 0.00 0.00 39.78 38.41 1ov8 n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ov8 s GLU 13 N -2.40 0.81 0.14 3.52 2.02 -1.26 -5.12 118.70 116.41 1ov8 s GLU 13 Ca 0.31 -1.27 -0.31 0.00 0.02 0.00 0.00 54.97 53.72 1ov8 s GLU 13 Cb 0.02 -0.24 -0.08 0.00 0.10 0.00 0.00 34.13 33.93 1ov8 s GLU 13 CO 0.05 -0.00 1.41 0.99 0.02 0.00 0.00 175.26 177.72 1ov8 s THR 14 N -3.35 3.16 0.37 3.63 2.01 -1.26 -4.96 115.64 115.24 1ov8 s THR 14 Ca 0.10 0.85 -0.26 0.00 0.31 0.00 0.00 61.69 62.69 1ov8 s THR 14 Cb 0.03 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1ov8 s THR 14 CO -0.04 0.08 1.15 -2.16 -0.69 0.00 0.00 174.62 172.96 1ov8 s PRO 15 N 0.84 4.20 0.19 4.92 0.05 -1.26 -4.85 135.00 139.10 1ov8 s PRO 15 Ca 0.64 1.82 0.17 0.00 0.05 0.00 0.00 61.00 63.68 1ov8 s PRO 15 Cb -0.38 -2.79 -0.01 0.00 0.05 0.00 0.00 34.50 31.38 1ov8 s PRO 15 CO 0.32 -0.19 1.16 0.00 0.05 0.00 0.00 177.00 178.35 1ov8 h ALA 16 N 2.90 0.66 -2.61 8.56 0.00 -1.20 -3.47 119.26 124.10 1ov8 h ALA 16 Ca -0.48 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 53.78 1ov8 h ALA 16 Cb 1.23 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.91 1ov8 h ALA 16 CO 0.63 0.62 -0.42 -0.65 0.00 0.00 0.00 179.25 179.44 1ov8 s GLN 17 N -3.01 0.63 0.07 0.00 -0.21 -1.16 -5.07 119.66 110.92 1ov8 s GLN 17 Ca 0.01 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 54.90 1ov8 s GLN 17 Cb 0.08 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.32 1ov8 s GLN 17 CO 0.77 -0.17 -0.19 0.95 -2.12 0.00 0.00 175.29 174.53 1ov8 s THR 18 N -2.20 1.51 -0.02 -0.19 -4.23 -1.26 -1.32 115.64 107.93 1ov8 s THR 18 Ca -0.08 -1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1ov8 s THR 18 Cb -0.03 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1ov8 s THR 18 CO -0.02 -0.00 0.06 0.54 -0.54 0.00 0.00 174.62 174.66 1ov8 s VAL 19 N -1.03 0.01 -0.11 2.29 0.11 -0.35 -4.94 120.40 116.39 1ov8 s VAL 19 Ca 0.05 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 1ov8 s VAL 19 Cb -0.09 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1ov8 s VAL 19 CO 0.03 -0.04 0.07 -0.70 -3.33 0.00 0.00 175.10 171.14 1ov8 s GLU 20 N -0.08 3.25 -0.04 1.54 2.12 -1.26 -0.84 118.70 123.39 1ov8 s GLU 20 Ca -0.01 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.10 1ov8 s GLU 20 Cb -0.01 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 1ov8 s GLU 20 CO 0.00 0.73 -0.17 0.08 -0.54 0.00 0.00 175.26 175.36 1ov8 s VAL 21 N -0.92 1.38 0.20 3.70 1.01 -0.25 -4.95 120.40 120.57 1ov8 s VAL 21 Ca 0.14 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1ov8 s VAL 21 Cb -0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1ov8 s VAL 21 CO 0.03 0.40 -0.18 -0.13 0.00 0.00 0.00 175.10 175.22 1ov8 s ARG 22 N -0.06 1.39 0.40 2.72 0.52 -1.26 -0.78 118.95 121.88 1ov8 s ARG 22 Ca -0.01 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.54 1ov8 s ARG 22 Cb -0.10 -1.41 -0.07 0.00 0.52 0.00 0.00 34.95 33.88 1ov8 s ARG 22 CO 0.01 0.27 0.79 0.00 0.02 0.00 0.00 175.30 176.40 1ov8 s ALA 23 N -2.33 3.30 0.36 2.13 0.00 -1.02 0.05 121.76 124.25 1ov8 s ALA 23 Ca 0.21 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 1ov8 s ALA 23 Cb -0.05 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 1ov8 s ALA 23 CO 0.09 0.05 1.35 0.00 0.00 0.00 0.00 175.76 177.24 1ov8 s ALA 24 N -2.30 3.46 0.21 0.00 0.00 0.15 -4.32 121.76 118.96 1ov8 s ALA 24 Ca 0.53 1.33 0.13 0.00 0.00 0.00 0.00 51.96 53.94 1ov8 s ALA 24 Cb -0.10 -3.51 0.38 0.00 0.00 0.00 0.00 23.12 19.89 1ov8 s ALA 24 CO 0.28 -0.78 1.61 -1.00 0.00 0.00 0.00 175.76 175.86 1ov8 h PRO 25 N 3.14 0.00 0.00 0.00 0.13 -1.89 -3.35 132.00 130.03 1ov8 h PRO 25 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1ov8 h PRO 25 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1ov8 h PRO 25 CO 0.64 0.58 -0.23 -0.25 -0.23 0.00 0.00 178.00 178.51 1ov8 n ASP 26 N -3.65 1.65 -3.83 1.44 8.00 -1.26 0.40 116.55 119.30 1ov8 n ASP 26 Ca -0.01 -2.88 -0.10 0.00 0.71 0.00 0.00 54.79 52.51 1ov8 n ASP 26 Cb 0.62 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1ov8 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ov8 s ALA 27 N -2.10 -0.42 -1.29 2.24 0.00 -1.26 -5.04 121.76 113.88 1ov8 s ALA 27 Ca 0.25 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1ov8 s ALA 27 Cb 0.23 0.75 0.14 0.00 0.00 0.00 0.00 23.12 24.24 1ov8 s ALA 27 CO 0.00 -0.65 1.84 1.28 0.00 0.00 0.00 175.76 178.23 1ov8 n LEU 28 N -0.21 6.34 -3.74 0.00 4.77 -1.26 -4.41 117.00 118.48 1ov8 n LEU 28 Ca -0.11 -4.50 -0.10 0.00 -0.03 0.00 0.00 56.01 51.27 1ov8 n LEU 28 Cb 0.63 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1ov8 n LEU 28 CO 0.21 1.16 0.19 0.00 -1.33 0.00 0.00 177.39 177.62 1ov8 s ALA 29 N 1.19 -0.78 0.25 -1.18 0.00 -1.26 -3.65 121.76 116.34 1ov8 s ALA 29 Ca 0.42 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 1ov8 s ALA 29 Cb 0.08 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 1ov8 s ALA 29 CO -0.01 -0.72 0.77 -0.06 0.00 0.00 0.00 175.76 175.74 1ov8 s PHE 30 N -3.86 3.62 0.39 0.00 0.08 -1.26 0.34 117.98 117.28 1ov8 s PHE 30 Ca 0.08 1.45 0.14 0.00 0.12 0.00 0.00 56.93 58.72 1ov8 s PHE 30 Cb 0.01 -2.67 0.80 0.00 -0.57 0.00 0.00 43.02 40.58 1ov8 s PHE 30 CO -0.06 0.28 1.87 0.00 -0.10 0.00 0.00 175.22 177.21 1ov8 h ALA 31 N 3.23 1.44 -3.17 5.36 0.00 -0.58 -3.40 119.26 122.15 1ov8 h ALA 31 Ca -0.48 -0.30 -0.68 0.00 0.00 0.00 0.00 54.91 53.45 1ov8 h ALA 31 Cb 1.19 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 1ov8 h ALA 31 CO 0.65 0.41 -0.65 -0.65 0.00 0.00 0.00 179.25 179.01 1ov8 s GLN 32 N -4.28 2.80 0.00 0.00 1.11 -1.26 -4.97 119.66 113.06 1ov8 s GLN 32 Ca -0.03 -1.04 0.28 0.00 0.01 0.00 0.00 55.36 54.57 1ov8 s GLN 32 Cb 0.15 -3.32 0.97 0.00 -1.01 0.00 0.00 33.01 29.80 1ov8 s GLN 32 CO 0.72 -0.54 1.70 0.25 0.01 0.00 0.00 175.29 177.43 1ov8 n THR 33 N 4.79 0.00 -3.72 -0.19 -2.24 -1.26 -4.82 114.28 106.83 1ov8 n THR 33 Ca -0.14 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1ov8 n THR 33 Cb 0.46 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 69.08 1ov8 n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ov8 s SER 34 N -2.10 -0.42 0.16 3.42 1.04 -1.26 -0.26 113.70 114.28 1ov8 s SER 34 Ca 0.35 0.77 0.09 0.00 0.48 0.00 0.00 55.95 57.63 1ov8 s SER 34 Cb 0.21 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 1ov8 s SER 34 CO 0.37 -0.16 -0.19 -0.76 0.98 0.00 0.00 173.24 173.48 1ov8 s LEU 35 N 0.92 2.42 -0.04 2.42 1.43 -0.21 -4.95 118.68 120.68 1ov8 s LEU 35 Ca -0.06 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1ov8 s LEU 35 Cb -0.07 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.34 1ov8 s LEU 35 CO -0.07 -0.02 0.02 -0.55 0.23 0.00 0.00 176.35 175.96 1ov8 s SER 36 N -2.58 0.90 0.03 2.29 0.15 -1.26 -0.84 113.70 112.40 1ov8 s SER 36 Ca 0.15 -0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 1ov8 s SER 36 Cb -0.06 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1ov8 s SER 36 CO 0.06 -0.17 0.01 -0.76 1.20 0.00 0.00 173.24 173.58 1ov8 s LEU 37 N 1.61 2.18 0.46 3.45 1.43 -0.77 -4.98 118.68 122.05 1ov8 s LEU 37 Ca -0.02 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 1ov8 s LEU 37 Cb -0.13 0.27 -0.08 0.00 0.03 0.00 0.00 46.19 46.29 1ov8 s LEU 37 CO -0.03 -0.44 1.10 -2.16 0.23 0.00 0.00 176.35 175.06 1ov8 s PRO 38 N -2.42 3.82 0.68 1.29 0.04 -1.26 -1.29 135.00 135.86 1ov8 s PRO 38 Ca -0.07 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 1ov8 s PRO 38 Cb -0.03 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1ov8 s PRO 38 CO -0.04 -0.46 1.12 0.00 0.04 0.00 0.00 177.00 177.65 1ov8 s ALA 39 N -1.69 2.40 -1.47 8.56 0.00 0.27 -3.80 121.76 126.03 1ov8 s ALA 39 Ca 0.64 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.14 1ov8 s ALA 39 Cb -0.24 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1ov8 s ALA 39 CO 0.29 -1.40 0.27 -1.71 0.00 0.00 0.00 175.76 173.21 1ov8 n ASN 40 N -2.59 0.12 -4.22 0.00 5.15 -1.10 -4.93 115.26 107.70 1ov8 n ASN 40 Ca 0.10 -1.11 -0.26 0.00 -0.60 0.00 0.00 54.58 52.72 1ov8 n ASN 40 Cb 0.52 -2.49 -0.15 0.00 -0.53 0.00 0.00 39.78 37.13 1ov8 n ASN 40 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ov8 s THR 41 N -4.11 1.58 -0.20 -0.44 2.01 -1.25 -4.86 115.64 108.38 1ov8 s THR 41 Ca 0.02 -0.99 -0.28 0.00 0.31 0.00 0.00 61.69 60.75 1ov8 s THR 41 Cb -0.01 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1ov8 s THR 41 CO 0.93 0.32 0.96 -0.69 -0.69 0.00 0.00 174.62 175.45 1ov8 s VAL 42 N -0.62 4.76 0.05 3.82 1.01 -1.26 -0.87 120.40 127.29 1ov8 s VAL 42 Ca 0.07 1.87 0.06 0.00 0.00 0.00 0.00 61.98 63.98 1ov8 s VAL 42 Cb -0.08 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1ov8 s VAL 42 CO 0.00 -0.09 -0.17 -0.69 0.00 0.00 0.00 175.10 174.15 1ov8 s VAL 43 N 2.76 1.37 -0.26 2.92 1.01 0.43 -0.56 120.40 128.08 1ov8 s VAL 43 Ca 0.42 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1ov8 s VAL 43 Cb -0.16 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1ov8 s VAL 43 CO 0.09 0.04 0.02 -0.60 0.00 0.00 0.00 175.10 174.65 1ov8 s ARG 44 N -1.32 3.26 -0.24 2.72 3.52 -0.44 -1.19 118.95 125.26 1ov8 s ARG 44 Ca 0.04 -0.72 -0.14 0.00 -0.13 0.00 0.00 55.73 54.77 1ov8 s ARG 44 Cb -0.09 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1ov8 s ARG 44 CO 0.02 -0.31 0.33 -1.17 -0.81 0.00 0.00 175.30 173.36 1ov8 s LEU 45 N 1.49 4.09 -0.38 -0.88 0.20 -0.28 -1.21 118.68 121.72 1ov8 s LEU 45 Ca 0.04 0.32 -0.11 0.00 0.69 0.00 0.00 54.13 55.08 1ov8 s LEU 45 Cb -0.16 -2.38 0.04 0.00 -0.43 0.00 0.00 46.19 43.26 1ov8 s LEU 45 CO 0.00 -0.09 0.22 -1.81 -0.29 0.00 0.00 176.35 174.38 1ov8 s ASP 46 N 1.31 5.73 -0.37 3.68 1.01 -0.02 -1.89 116.67 126.13 1ov8 s ASP 46 Ca 0.15 -1.07 -0.17 0.00 0.71 0.00 0.00 52.55 52.17 1ov8 s ASP 46 Cb -0.15 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1ov8 s ASP 46 CO 0.08 -0.41 0.43 0.12 0.21 0.00 0.00 175.17 175.60 1ov8 s PHE 47 N 1.54 3.18 -0.34 4.23 5.36 0.37 -1.09 117.98 131.23 1ov8 s PHE 47 Ca 0.02 -0.10 -0.12 0.00 -0.96 0.00 0.00 56.93 55.77 1ov8 s PHE 47 Cb -0.20 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.65 1ov8 s PHE 47 CO 0.06 -0.57 0.22 0.08 -1.46 0.00 0.00 175.22 173.55 1ov8 s VAL 48 N 2.17 5.00 -1.06 3.12 1.01 0.04 -1.42 120.40 129.26 1ov8 s VAL 48 Ca 0.14 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1ov8 s VAL 48 Cb -0.16 -3.61 0.26 0.00 0.00 0.00 0.00 36.38 32.87 1ov8 s VAL 48 CO 0.13 -0.05 1.06 0.21 0.00 0.00 0.00 175.10 176.45 1ov8 s ASN 49 N 1.67 7.21 -0.21 3.32 2.47 0.19 -2.42 114.94 127.16 1ov8 s ASN 49 Ca 0.05 -3.40 -0.05 0.00 0.42 0.00 0.00 52.86 49.89 1ov8 s ASN 49 Cb -0.18 -2.22 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 1ov8 s ASN 49 CO 0.09 -0.36 -0.02 -1.10 -3.72 0.00 0.00 177.10 171.99 1ov8 s GLN 50 N -0.87 3.49 0.15 0.43 -1.52 -1.26 0.27 119.66 120.35 1ov8 s GLN 50 Ca 0.29 -0.57 -0.16 0.00 -1.95 0.00 0.00 55.36 52.96 1ov8 s GLN 50 Cb -0.10 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.66 1ov8 s GLN 50 CO -0.08 -0.12 0.43 0.54 -0.25 0.00 0.00 175.29 175.81 1ov8 s ASN 51 N 1.31 -0.22 -0.01 5.90 2.20 -1.26 -4.29 114.94 118.57 1ov8 s ASN 51 Ca 0.04 -0.42 0.20 0.00 -0.94 0.00 0.00 52.86 51.74 1ov8 s ASN 51 Cb -0.14 0.50 0.59 0.00 -2.00 0.00 0.00 41.25 40.20 1ov8 s ASN 51 CO -0.00 -0.92 1.49 0.59 -2.94 0.00 0.00 177.10 175.32 1ov8 n ASN 52 N -0.26 3.62 -0.00 3.54 3.02 0.16 -4.22 115.26 121.13 1ov8 n ASN 52 Ca -0.13 -2.05 0.09 0.00 -0.03 0.00 0.00 54.58 52.45 1ov8 n ASN 52 Cb 0.63 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 39.24 1ov8 n ASN 52 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ov8 n LEU 53 N 1.37 0.70 -0.84 3.41 4.77 -1.26 -4.96 117.00 120.19 1ov8 n LEU 53 Ca 0.22 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1ov8 n LEU 53 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1ov8 n LEU 53 CO 0.16 0.17 -0.10 0.61 -1.33 0.00 0.00 177.39 176.90 1ov8 n GLY 54 N 1.43 0.77 3.85 -0.72 0.00 -1.26 -5.00 105.19 104.26 1ov8 n GLY 54 Ca 0.02 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1ov8 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ov8 s VAL 55 N -2.39 4.93 0.38 1.61 0.11 -1.26 -4.61 120.40 119.17 1ov8 s VAL 55 Ca 0.00 -0.62 -0.23 0.00 -2.93 0.00 0.00 61.98 58.20 1ov8 s VAL 55 Cb 0.00 -3.41 -0.10 0.00 -1.53 0.00 0.00 36.38 31.34 1ov8 s VAL 55 CO 0.00 0.10 0.94 -1.10 -3.33 0.00 0.00 175.10 171.71 1ov8 s GLN 56 N -2.54 4.37 0.07 1.54 -0.21 -1.26 -3.12 119.66 118.52 1ov8 s GLN 56 Ca 0.32 1.19 -0.17 0.00 0.02 0.00 0.00 55.36 56.72 1ov8 s GLN 56 Cb -0.12 -2.45 0.03 0.00 1.00 0.00 0.00 33.01 31.47 1ov8 s GLN 56 CO 0.25 0.11 0.39 -1.01 -2.12 0.00 0.00 175.29 172.91 1ov8 s HIS 57 N -1.93 -0.22 0.33 0.91 3.76 -0.34 -4.90 115.29 112.89 1ov8 s HIS 57 Ca 0.57 0.06 0.07 0.00 -0.15 0.00 0.00 55.06 55.60 1ov8 s HIS 57 Cb -0.13 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 1ov8 s HIS 57 CO 0.18 -0.61 0.27 0.54 -0.85 0.00 0.00 174.74 174.26 1ov8 s ASN 58 N -2.33 1.63 -0.09 1.40 4.22 -1.26 -0.78 114.94 117.73 1ov8 s ASN 58 Ca -0.02 -1.74 0.01 0.00 -2.14 0.00 0.00 52.86 48.97 1ov8 s ASN 58 Cb 0.00 0.55 0.02 0.00 1.28 0.00 0.00 41.25 43.10 1ov8 s ASN 58 CO -0.06 -1.05 -0.09 0.86 -2.04 0.00 0.00 177.10 174.72 1ov8 s TRP 59 N -3.48 1.42 -0.09 1.54 -0.00 -1.26 -4.25 118.94 112.82 1ov8 s TRP 59 Ca 0.40 -0.62 -0.01 0.00 -0.00 0.00 0.00 56.10 55.88 1ov8 s TRP 59 Cb 0.03 -1.13 0.03 0.00 -0.00 0.00 0.00 33.47 32.40 1ov8 s TRP 59 CO 0.27 -0.40 -0.04 0.08 -0.00 0.00 0.00 176.95 176.86 1ov8 s VAL 60 N 1.23 0.72 -0.16 5.86 1.01 0.41 -1.47 120.40 128.00 1ov8 s VAL 60 Ca -0.04 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 1ov8 s VAL 60 Cb -0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1ov8 s VAL 60 CO -0.03 0.32 0.52 -0.22 0.00 0.00 0.00 175.10 175.69 1ov8 s LEU 61 N 1.83 4.21 0.03 3.92 2.96 0.13 -0.16 118.68 131.60 1ov8 s LEU 61 Ca 0.05 0.78 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 1ov8 s LEU 61 Cb -0.12 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1ov8 s LEU 61 CO -0.07 -0.12 -0.09 0.68 -1.32 0.00 0.00 176.35 175.43 1ov8 s VAL 62 N 1.22 3.45 -1.08 1.68 -7.23 0.05 -1.15 120.40 117.33 1ov8 s VAL 62 Ca 0.26 -0.93 -0.13 0.00 -1.81 0.00 0.00 61.98 59.37 1ov8 s VAL 62 Cb -0.15 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 34.20 1ov8 s VAL 62 CO 0.10 0.33 2.21 -3.20 -0.31 0.00 0.00 175.10 174.24 1ov8 n ASN 63 N 1.40 4.64 0.00 4.85 4.05 0.16 -3.96 115.26 126.41 1ov8 n ASN 63 Ca -0.15 -2.56 0.00 0.00 0.45 0.00 0.00 54.58 52.32 1ov8 n ASN 63 Cb 0.52 -1.27 0.00 0.00 1.23 0.00 0.00 39.78 40.26 1ov8 n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ov8 n GLY 64 N 4.02 0.15 0.00 8.20 0.00 -1.26 -4.95 105.19 111.36 1ov8 n GLY 64 Ca 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1ov8 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ov8 n GLY 65 N 0.00 7.17 0.33 -0.02 0.00 -1.26 -1.92 105.19 109.48 1ov8 n GLY 65 Ca 0.00 -2.02 0.21 0.00 0.00 0.00 0.00 46.02 44.21 1ov8 n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ov8 h ASP 66 N 0.00 0.06 -0.29 1.61 3.32 -1.99 0.48 116.42 119.62 1ov8 h ASP 66 Ca 0.00 0.24 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1ov8 h ASP 66 Cb 0.00 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1ov8 h ASP 66 CO 0.00 -0.28 -0.20 0.44 -1.72 0.00 0.00 179.24 177.47 1ov8 h ASP 67 N 0.12 0.67 -0.23 6.45 3.32 -2.00 -1.28 116.42 123.47 1ov8 h ASP 67 Ca 0.68 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1ov8 h ASP 67 Cb 1.57 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 1ov8 h ASP 67 CO -0.75 0.97 -0.16 0.58 -1.72 0.00 0.00 179.24 178.16 1ov8 h VAL 68 N 0.38 1.26 -0.92 -1.35 2.07 -1.22 -2.90 116.25 113.57 1ov8 h VAL 68 Ca 0.06 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.42 1ov8 h VAL 68 Cb 0.75 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1ov8 h VAL 68 CO 0.05 0.39 0.61 0.00 0.02 0.00 0.00 177.57 178.64 1ov8 h ALA 69 N 1.24 1.38 -0.59 1.67 0.00 0.17 -1.85 119.26 121.28 1ov8 h ALA 69 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ov8 h ALA 69 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ov8 h ALA 69 CO 0.04 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 1ov8 h ALA 70 N 1.45 0.80 -0.15 0.00 0.00 -1.05 0.12 119.26 120.43 1ov8 h ALA 70 Ca 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ov8 h ALA 70 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ov8 h ALA 70 CO -0.10 0.67 0.07 0.00 0.00 0.00 0.00 179.25 179.89 1ov8 h ALA 71 N 0.97 0.20 -0.23 0.00 0.00 -1.26 0.16 119.26 119.10 1ov8 h ALA 71 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ov8 h ALA 71 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ov8 h ALA 71 CO 0.04 -0.23 0.10 0.28 0.00 0.00 0.00 179.25 179.44 1ov8 h VAL 72 N 0.11 1.16 -0.82 0.00 2.07 -1.17 -0.62 116.25 116.97 1ov8 h VAL 72 Ca 0.05 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1ov8 h VAL 72 Cb 0.15 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1ov8 h VAL 72 CO -0.01 0.15 0.54 -1.13 0.02 0.00 0.00 177.57 177.15 1ov8 h ASN 73 N 0.23 0.91 -0.32 0.57 -1.24 -0.58 0.34 115.58 115.49 1ov8 h ASN 73 Ca 0.08 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 1ov8 h ASN 73 Cb 0.15 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1ov8 h ASN 73 CO -0.01 0.64 -0.04 0.74 -1.29 0.00 0.00 177.43 177.47 1ov8 h THR 74 N 1.06 1.27 -0.69 -3.57 2.02 -0.39 0.21 112.91 112.82 1ov8 h THR 74 Ca 0.32 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.47 1ov8 h THR 74 Cb -0.04 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1ov8 h THR 74 CO -0.08 0.34 0.46 0.00 0.37 0.00 0.00 175.52 176.61 1ov8 h ALA 75 N 0.82 1.57 -0.36 6.16 0.00 -0.30 -1.85 119.26 125.30 1ov8 h ALA 75 Ca 0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1ov8 h ALA 75 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ov8 h ALA 75 CO 0.02 0.38 -0.37 0.00 0.00 0.00 0.00 179.25 179.28 1ov8 h ALA 76 N 1.59 0.53 -0.60 0.00 0.00 -0.47 -3.06 119.26 117.25 1ov8 h ALA 76 Ca 0.27 -0.45 0.16 0.00 0.00 0.00 0.00 54.91 54.89 1ov8 h ALA 76 Cb -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ov8 h ALA 76 CO -0.07 0.62 0.42 0.37 0.00 0.00 0.00 179.25 180.59 1ov8 h GLN 77 N 0.69 0.09 -1.04 0.00 4.15 0.26 -0.06 115.11 119.20 1ov8 h GLN 77 Ca 0.06 -0.01 -0.44 0.00 0.77 0.00 0.00 58.65 59.03 1ov8 h GLN 77 Cb 0.96 -0.02 -0.25 0.00 0.21 0.00 0.00 27.48 28.39 1ov8 h GLN 77 CO 0.09 0.06 0.57 0.09 -1.93 0.00 0.00 178.83 177.71 1ov8 n ASN 78 N -4.40 4.32 -2.63 -0.69 3.02 -1.08 -4.42 115.26 109.38 1ov8 n ASN 78 Ca 0.11 -3.34 -0.13 0.00 -0.03 0.00 0.00 54.58 51.19 1ov8 n ASN 78 Cb 0.61 -0.82 0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1ov8 n ASN 78 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ov8 n ASN 79 N -0.75 2.19 0.25 6.41 5.15 -0.04 -4.90 115.26 123.58 1ov8 n ASN 79 Ca 0.49 -2.95 0.08 0.00 -0.60 0.00 0.00 54.58 51.60 1ov8 n ASN 79 Cb 1.29 -0.52 0.64 0.00 -0.53 0.00 0.00 39.78 40.66 1ov8 n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ov8 h ALA 80 N 2.90 1.80 0.00 5.20 0.00 -1.78 -1.82 119.26 125.56 1ov8 h ALA 80 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ov8 h ALA 80 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ov8 h ALA 80 CO 0.58 0.08 0.00 -0.44 0.00 0.00 0.00 179.25 179.48 1ov8 h ASP 81 N 0.00 0.00 -0.18 0.00 3.32 -1.96 -1.80 116.42 115.79 1ov8 h ASP 81 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1ov8 h ASP 81 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1ov8 h ASP 81 CO 0.01 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 177.43 1ov8 n ALA 82 N -2.07 3.31 -3.49 3.45 0.00 -0.76 -4.76 120.51 116.18 1ov8 n ALA 82 Ca -0.01 -2.79 -0.23 0.00 0.00 0.00 0.00 53.44 50.40 1ov8 n ALA 82 Cb 0.16 -0.58 0.07 0.00 0.00 0.00 0.00 19.45 19.10 1ov8 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ov8 n LEU 83 N -1.02 -3.28 -2.63 0.00 4.77 -0.68 -3.36 117.00 110.80 1ov8 n LEU 83 Ca 0.23 -0.49 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 1ov8 n LEU 83 Cb 0.84 -2.96 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1ov8 n LEU 83 CO 0.10 0.59 -0.17 0.49 -1.33 0.00 0.00 177.39 177.07 1ov8 n PHE 84 N -4.89 -1.37 -2.18 -1.77 3.72 -0.76 -4.69 117.46 105.52 1ov8 n PHE 84 Ca -0.01 0.17 -0.29 0.00 -0.05 0.00 0.00 57.45 57.27 1ov8 n PHE 84 Cb 0.57 -3.89 0.02 0.00 -0.94 0.00 0.00 39.48 35.23 1ov8 n PHE 84 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1ov8 s VAL 85 N -3.01 4.42 0.25 -4.37 -7.23 -1.21 -4.42 120.40 104.82 1ov8 s VAL 85 Ca 0.10 0.48 -0.31 0.00 -1.81 0.00 0.00 61.98 60.45 1ov8 s VAL 85 Cb -0.05 -3.74 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 1ov8 s VAL 85 CO 0.13 -0.88 1.60 -2.65 -0.31 0.00 0.00 175.10 172.99 1ov8 n PRO 86 N -2.62 2.57 -1.58 4.82 -0.02 -1.26 -4.61 135.00 132.29 1ov8 n PRO 86 Ca 0.04 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 62.08 1ov8 n PRO 86 Cb 0.55 -2.70 0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1ov8 n PRO 86 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ov8 n PRO 87 N 2.75 0.89 -1.74 0.52 -0.02 -1.26 -4.91 135.00 131.22 1ov8 n PRO 87 Ca 0.12 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1ov8 n PRO 87 Cb 0.35 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 1ov8 n PRO 87 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ov8 n PRO 88 N -2.07 2.42 -0.99 0.52 -0.02 -1.26 -1.88 135.00 131.71 1ov8 n PRO 88 Ca 0.15 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1ov8 n PRO 88 Cb 0.48 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ov8 n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ov8 n ASP 89 N 0.85 -2.23 -4.70 2.55 8.00 -1.26 -4.97 116.55 114.78 1ov8 n ASP 89 Ca 0.04 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1ov8 n ASP 89 Cb 0.37 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1ov8 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ov8 n THR 90 N -2.69 0.20 -1.72 -3.53 -1.04 -0.79 -4.87 114.28 99.84 1ov8 n THR 90 Ca 0.00 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1ov8 n THR 90 Cb 0.01 -2.03 -0.02 0.00 -1.82 0.00 0.00 70.33 66.47 1ov8 n THR 90 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ov8 n PRO 91 N 4.85 2.50 -1.11 -2.82 -0.02 -1.26 -2.71 135.00 134.43 1ov8 n PRO 91 Ca 0.17 0.89 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 1ov8 n PRO 91 Cb 0.36 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 1ov8 n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ov8 n ASN 92 N 2.13 -4.48 -4.32 2.55 5.03 -1.26 -4.75 115.26 110.15 1ov8 n ASN 92 Ca 0.09 0.09 -0.44 0.00 0.87 0.00 0.00 54.58 55.19 1ov8 n ASN 92 Cb 0.35 -2.30 -0.07 0.00 -1.02 0.00 0.00 39.78 36.74 1ov8 n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ov8 s ALA 93 N -1.80 3.54 0.03 5.41 0.00 -1.10 0.40 121.76 128.25 1ov8 s ALA 93 Ca 0.00 -2.32 -0.19 0.00 0.00 0.00 0.00 51.96 49.45 1ov8 s ALA 93 Cb 0.00 -3.06 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 1ov8 s ALA 93 CO 0.00 -1.84 1.26 -0.07 0.00 0.00 0.00 175.76 175.11 1ov8 h LEU 94 N 8.72 0.49 -7.00 0.00 3.38 -1.47 -2.09 115.31 117.34 1ov8 h LEU 94 Ca -0.27 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.09 1ov8 h LEU 94 Cb 1.10 -0.14 -0.21 0.00 0.09 0.00 0.00 40.66 41.50 1ov8 h LEU 94 CO 0.92 0.98 0.22 0.00 0.09 0.00 0.00 178.44 180.65 1ov8 s ALA 95 N -3.90 -1.81 -0.03 1.53 0.00 -1.17 -1.43 121.76 114.95 1ov8 s ALA 95 Ca -0.14 1.73 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 1ov8 s ALA 95 Cb 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1ov8 s ALA 95 CO 0.79 -0.34 0.34 1.67 0.00 0.00 0.00 175.76 178.22 1ov8 s TRP 96 N -0.31 -0.23 0.70 0.00 -2.14 0.43 0.18 118.94 117.56 1ov8 s TRP 96 Ca -0.04 0.39 -0.10 0.00 2.66 0.00 0.00 56.10 59.01 1ov8 s TRP 96 Cb -0.03 0.12 0.03 0.00 -3.10 0.00 0.00 33.47 30.49 1ov8 s TRP 96 CO 0.03 -0.39 1.07 0.95 -2.66 0.00 0.00 176.95 175.96 1ov8 s THR 97 N -1.18 3.15 0.94 0.66 -4.23 -0.54 -1.85 115.64 112.60 1ov8 s THR 97 Ca -0.12 0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1ov8 s THR 97 Cb -0.05 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.60 1ov8 s THR 97 CO 0.04 -0.43 1.09 0.00 -0.54 0.00 0.00 174.62 174.78 1ov8 s ALA 98 N -3.32 1.22 -0.18 3.99 0.00 -1.26 -4.56 121.76 117.65 1ov8 s ALA 98 Ca 0.58 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1ov8 s ALA 98 Cb -0.11 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1ov8 s ALA 98 CO 0.49 -2.63 1.16 1.41 0.00 0.00 0.00 175.76 176.20 1ov8 s MET 99 N -4.85 4.26 -0.13 0.00 1.75 -1.26 -4.59 119.30 114.48 1ov8 s MET 99 Ca 0.65 1.54 -0.04 0.00 -1.25 0.00 0.00 55.69 56.58 1ov8 s MET 99 Cb -0.19 -3.69 -0.03 0.00 2.84 0.00 0.00 34.83 33.75 1ov8 s MET 99 CO 0.58 -0.64 0.01 -0.51 -0.65 0.00 0.00 175.02 173.81 1ov8 s LEU 100 N 3.20 3.57 0.71 4.11 1.43 0.04 -4.92 118.68 126.82 1ov8 s LEU 100 Ca 0.51 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 1ov8 s LEU 100 Cb -0.19 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ov8 s LEU 100 CO 0.12 0.26 1.07 0.20 0.23 0.00 0.00 176.35 178.24 1ov8 s ASN 101 N -0.19 5.15 0.20 2.29 0.01 -1.26 -1.20 114.94 119.95 1ov8 s ASN 101 Ca 0.05 1.72 -0.32 0.00 -0.71 0.00 0.00 52.86 53.60 1ov8 s ASN 101 Cb -0.12 -2.51 -0.13 0.00 0.41 0.00 0.00 41.25 38.89 1ov8 s ASN 101 CO 0.02 -1.60 1.52 0.00 -1.51 0.00 0.00 177.10 175.53 1ov8 n ALA 102 N -3.10 1.43 -0.00 0.60 0.00 -1.18 -1.09 120.51 117.17 1ov8 n ALA 102 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ov8 n ALA 102 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1ov8 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ov8 n GLY 103 N 2.86 0.28 3.95 0.00 0.00 0.14 -4.98 105.19 107.44 1ov8 n GLY 103 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ov8 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ov8 s GLU 104 N -0.91 3.21 0.01 1.61 2.02 -0.25 -4.93 118.70 119.46 1ov8 s GLU 104 Ca 0.00 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1ov8 s GLU 104 Cb 0.00 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 1ov8 s GLU 104 CO 0.00 0.26 -0.03 -1.12 0.02 0.00 0.00 175.26 174.39 1ov8 s SER 105 N -4.04 0.31 0.05 -0.19 0.01 -1.26 -0.64 113.70 107.95 1ov8 s SER 105 Ca 0.39 -0.26 -0.18 0.00 1.31 0.00 0.00 55.95 57.21 1ov8 s SER 105 Cb -0.09 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.20 1ov8 s SER 105 CO 0.29 -0.12 0.41 -0.83 0.41 0.00 0.00 173.24 173.40 1ov8 s GLY 106 N -0.73 -0.27 0.35 3.44 0.00 -0.51 -5.00 107.32 104.60 1ov8 s GLY 106 Ca -0.06 0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.96 1ov8 s GLY 106 CO -0.00 0.01 0.06 -0.56 0.00 0.00 0.00 173.10 172.60 1ov8 s SER 107 N -2.08 2.68 -0.13 1.64 0.01 -1.26 -0.48 113.70 114.08 1ov8 s SER 107 Ca -0.04 -1.42 -0.10 0.00 1.31 0.00 0.00 55.95 55.69 1ov8 s SER 107 Cb -0.01 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.24 1ov8 s SER 107 CO -0.03 -0.64 0.32 0.54 0.41 0.00 0.00 173.24 173.84 1ov8 s VAL 108 N -3.20 -0.01 -0.18 3.43 0.11 -0.79 -4.69 120.40 115.07 1ov8 s VAL 108 Ca 0.34 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1ov8 s VAL 108 Cb 0.08 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1ov8 s VAL 108 CO 0.15 0.01 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.95 1ov8 s THR 109 N 0.52 3.08 0.13 5.04 2.01 -1.26 -1.13 115.64 124.03 1ov8 s THR 109 Ca -0.03 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 1ov8 s THR 109 Cb -0.04 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.14 1ov8 s THR 109 CO -0.03 0.47 0.39 0.72 -0.69 0.00 0.00 174.62 175.48 1ov8 s PHE 110 N 1.07 -0.14 -0.18 4.92 -0.71 -0.34 -1.76 117.98 120.84 1ov8 s PHE 110 Ca 0.00 -0.19 -0.20 0.00 -1.04 0.00 0.00 56.93 55.50 1ov8 s PHE 110 Cb -0.15 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1ov8 s PHE 110 CO -0.02 -0.71 0.60 0.50 -1.34 0.00 0.00 175.22 174.26 1ov8 s ARG 111 N -3.82 4.24 0.72 1.99 3.52 -0.30 -0.42 118.95 124.87 1ov8 s ARG 111 Ca 0.04 0.59 -0.16 0.00 -0.13 0.00 0.00 55.73 56.07 1ov8 s ARG 111 Cb 0.02 -3.55 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1ov8 s ARG 111 CO -0.11 -0.17 1.23 0.95 -0.81 0.00 0.00 175.30 176.40 1ov8 s THR 112 N 1.67 2.20 0.86 4.11 -4.23 -0.05 -4.84 115.64 115.35 1ov8 s THR 112 Ca 0.28 0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1ov8 s THR 112 Cb -0.16 -2.75 0.20 0.00 1.34 0.00 0.00 72.50 71.13 1ov8 s THR 112 CO 0.11 -0.05 1.17 -0.81 -0.54 0.00 0.00 174.62 174.50 1ov8 n PRO 113 N -2.60 -1.15 -0.58 3.99 -0.04 -1.26 -2.69 135.00 130.67 1ov8 n PRO 113 Ca 0.14 -1.81 -0.30 0.00 -0.04 0.00 0.00 63.50 61.49 1ov8 n PRO 113 Cb 0.50 -1.21 0.21 0.00 -0.04 0.00 0.00 33.50 32.96 1ov8 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ov8 n ALA 114 N -3.76 -2.20 -1.65 0.55 0.00 -1.26 -3.14 120.51 109.05 1ov8 n ALA 114 Ca -0.19 -0.93 -0.38 0.00 0.00 0.00 0.00 53.44 51.94 1ov8 n ALA 114 Cb 0.51 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 17.97 1ov8 n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ov8 n PRO 115 N -4.36 1.14 -3.00 0.00 -0.02 -1.26 -4.84 135.00 122.65 1ov8 n PRO 115 Ca 0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1ov8 n PRO 115 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1ov8 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ov8 n GLY 116 N 1.13 -1.31 3.42 -1.23 0.00 -0.40 -4.97 105.19 101.84 1ov8 n GLY 116 Ca 0.13 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1ov8 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ov8 s THR 117 N -2.31 2.94 0.01 2.61 2.01 -1.26 -1.06 115.64 118.57 1ov8 s THR 117 Ca 0.00 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1ov8 s THR 117 Cb 0.00 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1ov8 s THR 117 CO 0.00 0.57 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.17 1ov8 s TYR 118 N -0.38 0.15 -0.00 4.92 1.51 0.59 -4.55 117.35 119.59 1ov8 s TYR 118 Ca 0.04 -0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 1ov8 s TYR 118 Cb -0.12 -0.10 -0.06 0.00 -0.11 0.00 0.00 41.96 41.57 1ov8 s TYR 118 CO 0.02 -0.06 0.45 -0.51 -1.11 0.00 0.00 175.55 174.34 1ov8 s LEU 119 N -0.49 4.46 -0.02 -1.29 1.43 -0.81 0.13 118.68 122.10 1ov8 s LEU 119 Ca -0.05 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 1ov8 s LEU 119 Cb -0.03 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1ov8 s LEU 119 CO -0.00 0.27 -0.13 -0.72 0.23 0.00 0.00 176.35 176.00 1ov8 s TYR 120 N -0.86 2.73 0.24 0.29 -0.85 0.03 -0.77 117.35 118.17 1ov8 s TYR 120 Ca 0.25 -0.14 -0.01 0.00 -0.52 0.00 0.00 57.07 56.65 1ov8 s TYR 120 Cb -0.17 -1.60 -0.03 0.00 0.38 0.00 0.00 41.96 40.54 1ov8 s TYR 120 CO 0.14 0.25 0.24 0.96 -1.52 0.00 0.00 175.55 175.62 1ov8 s ILE 121 N -0.83 0.00 -0.17 -3.49 -4.36 0.78 -0.84 121.20 112.29 1ov8 s ILE 121 Ca 0.13 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.59 1ov8 s ILE 121 Cb -0.11 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 1ov8 s ILE 121 CO 0.03 0.00 0.05 0.00 0.24 0.00 0.00 174.94 175.26 1ov8 n THR 123 N 3.35 0.62 -1.92 0.00 -2.24 -1.26 -3.27 114.28 109.55 1ov8 n THR 123 Ca -0.17 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 1ov8 n THR 123 Cb 0.52 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1ov8 n THR 123 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ov8 s PHE 124 N -1.38 2.95 -0.18 4.78 5.36 -1.26 -4.63 117.98 123.62 1ov8 s PHE 124 Ca 0.38 0.87 -0.42 0.00 -0.96 0.00 0.00 56.93 56.79 1ov8 s PHE 124 Cb 0.21 -3.92 -0.20 0.00 -0.34 0.00 0.00 43.02 38.77 1ov8 s PHE 124 CO 0.28 -3.11 1.26 -2.30 -1.46 0.00 0.00 175.22 169.89 1ov8 n PRO 125 N 2.63 0.00 0.00 10.12 -0.02 -1.26 -1.25 135.00 145.22 1ov8 n PRO 125 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1ov8 n PRO 125 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1ov8 n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ov8 n GLY 126 N 2.38 2.99 0.16 -1.23 0.00 -1.26 -4.89 105.19 103.33 1ov8 n GLY 126 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1ov8 n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ov8 h HIS 127 N 0.00 0.68 0.36 1.61 3.86 -1.45 -0.81 115.15 119.40 1ov8 h HIS 127 Ca 0.00 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 1ov8 h HIS 127 Cb 0.00 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1ov8 h HIS 127 CO 0.00 1.09 -0.30 -0.92 0.86 0.00 0.00 177.93 178.66 1ov8 h TYR 128 N 0.07 -0.81 -0.77 2.45 3.20 -1.74 0.23 116.97 119.60 1ov8 h TYR 128 Ca -0.04 0.00 0.15 0.00 3.14 0.00 0.00 58.73 61.98 1ov8 h TYR 128 Cb 1.17 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.70 1ov8 h TYR 128 CO 0.12 -0.44 0.51 -0.07 -1.64 0.00 0.00 178.16 176.64 1ov8 h LEU 129 N -0.67 0.43 0.00 2.82 3.38 -1.90 0.81 115.31 120.18 1ov8 h LEU 129 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ov8 h LEU 129 Cb 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ov8 h LEU 129 CO -0.02 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1ov8 n ALA 130 N -2.51 2.10 -0.03 1.53 0.00 -0.31 -4.86 120.51 116.43 1ov8 n ALA 130 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ov8 n ALA 130 Cb 0.51 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ov8 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ov8 n GLY 131 N 0.49 0.98 3.55 0.00 0.00 0.28 -4.99 105.19 105.51 1ov8 n GLY 131 Ca 0.10 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1ov8 n GLY 131 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ov8 s MET 132 N -0.32 3.46 0.20 1.61 0.00 0.73 -4.87 119.30 120.11 1ov8 s MET 132 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 55.69 54.56 1ov8 s MET 132 Cb 0.00 -4.97 0.05 0.00 0.00 0.00 0.00 34.83 29.91 1ov8 s MET 132 CO 0.00 -2.16 0.83 -1.59 0.00 0.00 0.00 175.02 172.10 1ov8 s LYS 133 N 5.04 1.43 0.30 4.11 -2.85 -1.26 -2.73 119.74 123.77 1ov8 s LYS 133 Ca 0.41 -0.76 -0.19 0.00 -1.00 0.00 0.00 55.97 54.43 1ov8 s LYS 133 Cb -0.03 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.29 1ov8 s LYS 133 CO -0.02 -0.65 0.80 0.20 0.10 0.00 0.00 175.35 175.78 1ov8 s GLY 134 N -2.89 0.10 -0.13 0.59 0.00 -0.02 -4.74 107.32 100.23 1ov8 s GLY 134 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1ov8 s GLY 134 CO 0.02 0.03 -0.15 -1.59 0.00 0.00 0.00 173.10 171.41 1ov8 s THR 135 N -3.05 2.80 -0.26 0.90 2.01 0.65 -0.79 115.64 117.89 1ov8 s THR 135 Ca 0.14 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 1ov8 s THR 135 Cb -0.05 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1ov8 s THR 135 CO 0.08 0.53 0.14 -0.22 -0.69 0.00 0.00 174.62 174.46 1ov8 s LEU 136 N 0.46 3.85 -0.32 4.42 2.96 0.36 -1.04 118.68 129.36 1ov8 s LEU 136 Ca -0.11 -0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 1ov8 s LEU 136 Cb -0.16 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1ov8 s LEU 136 CO 0.05 -0.01 0.17 -0.89 -1.32 0.00 0.00 176.35 174.35 1ov8 s THR 137 N 1.50 4.69 -0.35 3.68 2.01 -0.02 -0.30 115.64 126.85 1ov8 s THR 137 Ca 0.07 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 1ov8 s THR 137 Cb -0.15 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1ov8 s THR 137 CO 0.07 0.03 0.35 -0.69 -0.69 0.00 0.00 174.62 173.69 1ov8 s VAL 138 N 1.62 5.18 0.79 3.82 1.01 -0.22 -1.85 120.40 130.75 1ov8 s VAL 138 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1ov8 s VAL 138 Cb -0.17 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 32.50 1ov8 s VAL 138 CO 0.07 -0.13 1.10 0.42 0.00 0.00 0.00 175.10 176.55 1ov8 s THR 139 N 1.98 2.13 -2.00 3.92 -4.23 -0.41 -1.27 115.64 115.75 1ov8 s THR 139 Ca 0.11 -0.36 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1ov8 s THR 139 Cb -0.17 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1ov8 s THR 139 CO 0.12 0.00 0.88 -2.65 -0.54 0.00 0.00 174.62 172.42