#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvo s GLU 2 N 0.00 3.66 -1.03 0.00 2.12 -1.26 -4.51 118.70 117.68 1jvo s GLU 2 Ca 0.00 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 1jvo s GLU 2 Cb 0.00 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1jvo s GLU 2 CO 0.00 -0.12 0.03 0.00 -0.54 0.00 0.00 175.26 174.63 1jvo s SER 4 N -2.48 -0.36 0.03 0.00 1.04 -1.26 -1.89 113.70 108.77 1jvo s SER 4 Ca 0.01 0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.93 1jvo s SER 4 Cb -0.01 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1jvo s SER 4 CO 0.02 -0.27 -0.05 0.54 0.98 0.00 0.00 173.24 174.46 1jvo s VAL 5 N -0.76 0.29 -0.21 5.02 0.11 0.01 -3.22 120.40 121.64 1jvo s VAL 5 Ca 0.00 -0.88 -0.06 0.00 -2.93 0.00 0.00 61.98 58.12 1jvo s VAL 5 Cb -0.02 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1jvo s VAL 5 CO -0.01 -0.38 0.02 -1.81 -3.33 0.00 0.00 175.10 169.58 1jvo s ASP 6 N -1.33 4.96 0.02 3.54 1.11 -1.26 -1.47 116.67 122.24 1jvo s ASP 6 Ca -0.11 -0.17 0.04 0.00 0.18 0.00 0.00 52.55 52.48 1jvo s ASP 6 Cb -0.09 -1.85 -0.02 0.00 1.07 0.00 0.00 42.92 42.03 1jvo s ASP 6 CO -0.00 0.06 -0.12 -0.51 1.18 0.00 0.00 175.17 175.78 1jvo s ILE 7 N 1.02 0.90 0.13 0.77 2.07 -0.68 -4.98 121.20 120.44 1jvo s ILE 7 Ca 0.02 -0.78 0.10 0.00 -1.41 0.00 0.00 60.65 58.58 1jvo s ILE 7 Cb -0.14 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 1jvo s ILE 7 CO 0.02 0.04 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.75 1jvo s GLN 8 N -0.84 1.29 -0.16 3.50 -0.21 -1.26 -2.08 119.66 119.91 1jvo s GLN 8 Ca 0.01 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.09 1jvo s GLN 8 Cb -0.06 -1.64 0.03 0.00 1.00 0.00 0.00 33.01 32.33 1jvo s GLN 8 CO 0.01 0.38 -0.11 0.20 -2.12 0.00 0.00 175.29 173.65 1jvo s GLY 9 N -2.11 1.08 0.33 3.09 0.00 -0.73 -2.06 107.32 106.91 1jvo s GLY 9 Ca 0.12 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.98 1jvo s GLY 9 CO 0.06 0.69 0.41 1.16 0.00 0.00 0.00 173.10 175.42 1jvo n ASN 10 N 4.80 1.39 0.20 1.64 0.23 -1.02 -3.81 115.26 118.69 1jvo n ASN 10 Ca -0.15 -1.93 0.14 0.00 -0.53 0.00 0.00 54.58 52.11 1jvo n ASN 10 Cb 0.49 -0.20 0.54 0.00 -2.08 0.00 0.00 39.78 38.53 1jvo n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jvo h ASP 11 N 0.13 0.00 -0.04 0.53 3.32 -1.91 -2.63 116.42 115.81 1jvo h ASP 11 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1jvo h ASP 11 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1jvo h ASP 11 CO 0.24 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1jvo n GLN 12 N -2.68 1.12 -3.48 3.56 3.00 -1.26 -4.89 117.38 112.75 1jvo n GLN 12 Ca 0.02 -0.18 -0.18 0.00 -0.01 0.00 0.00 57.00 56.65 1jvo n GLN 12 Cb 0.31 -1.12 0.08 0.00 0.00 0.00 0.00 30.24 29.50 1jvo n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1jvo n MET 13 N -0.43 -6.11 -3.96 -1.09 1.56 -0.99 -5.01 117.12 101.10 1jvo n MET 13 Ca 0.06 0.80 -0.09 0.00 -0.27 0.00 0.00 57.70 58.19 1jvo n MET 13 Cb 0.06 -5.71 -0.10 0.00 2.15 0.00 0.00 33.22 29.62 1jvo n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1jvo s GLN 14 N -5.47 0.47 0.13 2.12 -0.21 -1.26 -4.41 119.66 111.04 1jvo s GLN 14 Ca 0.02 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 1jvo s GLN 14 Cb -0.00 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1jvo s GLN 14 CO 0.75 -0.10 0.31 -0.06 -2.12 0.00 0.00 175.29 174.07 1jvo s PHE 15 N -2.13 3.49 -0.18 0.91 0.08 -1.26 -2.43 117.98 116.45 1jvo s PHE 15 Ca -0.09 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.35 1jvo s PHE 15 Cb -0.04 -1.87 0.21 0.00 -0.57 0.00 0.00 43.02 40.74 1jvo s PHE 15 CO -0.03 0.48 1.25 0.27 -0.10 0.00 0.00 175.22 177.09 1jvo n ASN 16 N -0.02 3.17 0.00 1.36 6.94 -0.88 -4.80 115.26 121.03 1jvo n ASN 16 Ca -0.04 -2.47 0.00 0.00 -0.02 0.00 0.00 54.58 52.05 1jvo n ASN 16 Cb 0.52 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1jvo n ASN 16 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1jvo n THR 17 N 0.02 0.00 -1.53 5.53 5.66 -1.26 -4.93 114.28 117.77 1jvo n THR 17 Ca 0.17 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.23 1jvo n THR 17 Cb 0.83 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.70 1jvo n THR 17 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1jvo n ASN 18 N 0.00 1.37 -3.67 1.09 0.23 -1.26 -4.84 115.26 108.18 1jvo n ASN 18 Ca 0.00 -2.69 -0.08 0.00 -0.53 0.00 0.00 54.58 51.28 1jvo n ASN 18 Cb 0.00 -0.35 -0.09 0.00 -2.08 0.00 0.00 39.78 37.26 1jvo n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jvo s ALA 19 N -1.69 -1.34 -0.02 -2.53 0.00 -1.26 -1.24 121.76 113.68 1jvo s ALA 19 Ca 0.21 1.78 0.07 0.00 0.00 0.00 0.00 51.96 54.01 1jvo s ALA 19 Cb 0.19 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1jvo s ALA 19 CO 0.00 -0.49 -0.22 0.42 0.00 0.00 0.00 175.76 175.47 1jvo s ILE 20 N 1.94 1.73 -0.20 0.00 1.01 0.31 -4.96 121.20 121.03 1jvo s ILE 20 Ca -0.07 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1jvo s ILE 20 Cb -0.09 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.97 1jvo s ILE 20 CO -0.15 0.49 -0.17 -0.89 0.00 0.00 0.00 174.94 174.22 1jvo s THR 21 N -0.46 2.17 -0.38 2.92 2.01 -1.26 -0.59 115.64 120.05 1jvo s THR 21 Ca 0.07 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 1jvo s THR 21 Cb -0.09 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1jvo s THR 21 CO -0.00 0.41 0.31 -0.69 -0.69 0.00 0.00 174.62 173.96 1jvo s VAL 22 N 1.26 5.23 0.18 3.82 1.01 0.23 -4.97 120.40 127.16 1jvo s VAL 22 Ca 0.02 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 1jvo s VAL 22 Cb -0.15 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1jvo s VAL 22 CO -0.11 -0.19 1.60 -0.62 0.00 0.00 0.00 175.10 175.78 1jvo s ASP 23 N 1.72 6.54 0.45 3.32 -1.08 -1.26 -2.51 116.67 123.86 1jvo s ASP 23 Ca 0.07 2.67 0.15 0.00 -0.52 0.00 0.00 52.55 54.92 1jvo s ASP 23 Cb -0.18 -2.60 1.08 0.00 -1.46 0.00 0.00 42.92 39.76 1jvo s ASP 23 CO 0.11 -0.85 2.01 0.11 0.52 0.00 0.00 175.17 177.06 1jvo h LYS 24 N 6.76 0.33 0.00 4.34 1.57 -1.43 -2.15 116.57 125.99 1jvo h LYS 24 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jvo h LYS 24 Cb 1.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1jvo h LYS 24 CO 0.92 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 180.68 1jvo h SER 25 N 0.34 0.00 -3.48 0.86 4.64 -1.90 -3.43 113.55 110.58 1jvo h SER 25 Ca 0.24 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.04 1jvo h SER 25 Cb 0.48 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1jvo h SER 25 CO -0.06 0.00 0.55 0.00 -0.87 0.00 0.00 176.83 176.45 1jvo h LYS 27 N 5.31 0.43 -4.06 0.00 6.56 -1.89 -3.42 116.57 119.49 1jvo h LYS 27 Ca -0.44 -0.40 -0.14 0.00 -1.06 0.00 0.00 60.65 58.60 1jvo h LYS 27 Cb 1.21 0.10 -0.18 0.00 -0.57 0.00 0.00 32.23 32.80 1jvo h LYS 27 CO 0.75 1.05 -0.66 1.14 -2.06 0.00 0.00 179.45 179.67 1jvo s GLN 28 N -3.41 0.48 0.08 3.15 -2.07 -1.26 -1.28 119.66 115.35 1jvo s GLN 28 Ca -0.13 -0.89 0.07 0.00 -1.82 0.00 0.00 55.36 52.58 1jvo s GLN 28 Cb 0.04 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1jvo s GLN 28 CO 0.81 -0.09 -0.13 0.12 -1.32 0.00 0.00 175.29 174.68 1jvo s PHE 29 N -2.70 2.68 -0.06 9.60 5.36 0.53 -4.83 117.98 128.57 1jvo s PHE 29 Ca -0.04 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1jvo s PHE 29 Cb -0.01 -1.44 0.01 0.00 -0.34 0.00 0.00 43.02 41.23 1jvo s PHE 29 CO -0.05 0.37 -0.15 0.99 -1.46 0.00 0.00 175.22 174.92 1jvo s THR 30 N -1.11 1.29 -0.15 0.12 2.01 -0.79 -0.80 115.64 116.21 1jvo s THR 30 Ca 0.19 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1jvo s THR 30 Cb -0.11 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1jvo s THR 30 CO 0.10 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 1jvo s VAL 31 N 0.42 2.40 -0.33 3.82 1.01 -0.36 -0.81 120.40 126.54 1jvo s VAL 31 Ca -0.11 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1jvo s VAL 31 Cb -0.14 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1jvo s VAL 31 CO 0.04 0.53 0.10 0.20 0.00 0.00 0.00 175.10 175.97 1jvo s ASN 32 N 0.84 5.29 -0.15 3.32 0.01 -0.54 -1.92 114.94 121.79 1jvo s ASN 32 Ca -0.05 -1.10 -0.10 0.00 -0.71 0.00 0.00 52.86 50.89 1jvo s ASN 32 Cb -0.15 -1.87 -0.05 0.00 0.41 0.00 0.00 41.25 39.59 1jvo s ASN 32 CO -0.01 -0.31 0.18 -0.22 -1.51 0.00 0.00 177.10 175.22 1jvo s LEU 33 N 1.41 4.31 0.03 0.60 2.96 0.76 -1.69 118.68 127.07 1jvo s LEU 33 Ca -0.01 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1jvo s LEU 33 Cb -0.19 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1jvo s LEU 33 CO 0.03 0.27 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.33 1jvo s SER 34 N -0.29 0.64 -0.50 3.68 1.04 -0.88 -1.03 113.70 116.35 1jvo s SER 34 Ca 0.13 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1jvo s SER 34 Cb -0.12 0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.18 1jvo s SER 34 CO 0.02 -0.23 0.25 -2.28 0.98 0.00 0.00 173.24 171.99 1jvo s HIS 35 N -1.36 3.32 -2.00 5.02 2.46 -1.15 -1.77 115.29 119.82 1jvo s HIS 35 Ca -0.11 -3.07 0.11 0.00 0.47 0.00 0.00 55.06 52.45 1jvo s HIS 35 Cb -0.10 -2.90 0.63 0.00 -0.13 0.00 0.00 32.58 30.08 1jvo s HIS 35 CO -0.00 -0.80 1.20 -0.35 -2.47 0.00 0.00 174.74 172.33 1jvo n PRO 36 N 3.39 0.74 0.00 2.88 -0.04 -1.25 -0.75 135.00 139.97 1jvo n PRO 36 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1jvo n PRO 36 Cb 0.35 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1jvo n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvo n GLY 37 N 0.35 -1.64 0.00 0.55 0.00 -1.26 -4.85 105.19 98.33 1jvo n GLY 37 Ca 0.08 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1jvo n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jvo n ASN 38 N -2.01 3.99 -4.79 1.61 5.03 -1.26 -4.05 115.26 113.78 1jvo n ASN 38 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 1jvo n ASN 38 Cb 0.00 0.67 -0.03 0.00 -1.02 0.00 0.00 39.78 39.41 1jvo n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1jvo s LEU 39 N -2.71 3.90 0.69 3.41 1.43 -1.26 -4.77 118.68 119.37 1jvo s LEU 39 Ca 0.00 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1jvo s LEU 39 Cb 0.00 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.76 1jvo s LEU 39 CO 0.00 -0.82 1.07 -2.16 0.23 0.00 0.00 176.35 174.67 1jvo s PRO 40 N -3.05 3.04 0.48 1.29 0.04 -1.26 -1.84 135.00 133.70 1jvo s PRO 40 Ca 0.66 0.64 0.37 0.00 0.04 0.00 0.00 61.00 62.71 1jvo s PRO 40 Cb -0.20 -2.03 1.55 0.00 0.04 0.00 0.00 34.50 33.86 1jvo s PRO 40 CO 0.24 -0.95 1.61 -0.22 0.04 0.00 0.00 177.00 177.72 1jvo h LYS 41 N -0.59 0.04 0.04 4.56 3.64 -1.87 -1.46 116.57 120.93 1jvo h LYS 41 Ca -0.45 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1jvo h LYS 41 Cb 1.23 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1jvo h LYS 41 CO 0.62 0.03 -0.10 0.00 -2.27 0.00 0.00 179.45 177.73 1jvo n VAL 43 N -5.22 1.64 -2.55 0.00 0.31 -0.61 -4.70 118.33 107.20 1jvo n VAL 43 Ca -0.06 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.60 1jvo n VAL 43 Cb 0.14 -1.72 0.02 0.00 -0.91 0.00 0.00 33.84 31.37 1jvo n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1jvo n MET 44 N -3.67 2.32 -2.67 5.55 0.00 -0.85 -5.04 117.12 112.76 1jvo n MET 44 Ca -0.38 -3.87 -0.36 0.00 -0.00 0.00 0.00 57.70 53.09 1jvo n MET 44 Cb 0.95 -1.77 -0.05 0.00 0.00 0.00 0.00 33.22 32.35 1jvo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jvo s GLY 45 N -3.38 2.72 0.10 -5.12 0.00 -1.12 -4.79 107.32 95.74 1jvo s GLY 45 Ca 0.38 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.72 1jvo s GLY 45 CO -0.06 1.01 -0.10 0.30 0.00 0.00 0.00 173.10 174.25 1jvo s HIS 46 N -1.70 1.04 0.21 1.90 3.76 -0.91 -4.67 115.29 114.92 1jvo s HIS 46 Ca 0.55 -0.67 -0.06 0.00 -0.15 0.00 0.00 55.06 54.73 1jvo s HIS 46 Cb -0.19 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 1jvo s HIS 46 CO 0.24 -0.01 0.26 0.54 -0.85 0.00 0.00 174.74 174.92 1jvo s ASN 47 N -2.47 0.06 -0.22 1.40 2.20 -1.26 -0.40 114.94 114.25 1jvo s ASN 47 Ca 0.05 -1.20 0.01 0.00 -0.94 0.00 0.00 52.86 50.79 1jvo s ASN 47 Cb -0.02 0.45 0.05 0.00 -2.00 0.00 0.00 41.25 39.73 1jvo s ASN 47 CO -0.00 -0.95 -0.06 0.86 -2.94 0.00 0.00 177.10 174.01 1jvo s TRP 48 N -4.10 2.37 -0.08 1.54 -0.00 -1.26 -3.96 118.94 113.44 1jvo s TRP 48 Ca 0.32 -1.69 0.04 0.00 -0.00 0.00 0.00 56.10 54.77 1jvo s TRP 48 Cb 0.04 -1.58 -0.01 0.00 -0.00 0.00 0.00 33.47 31.92 1jvo s TRP 48 CO 0.10 -0.76 -0.21 0.08 -0.00 0.00 0.00 176.95 176.16 1jvo s VAL 49 N 1.41 2.41 -0.06 5.86 1.01 -0.48 -1.48 120.40 129.07 1jvo s VAL 49 Ca -0.04 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1jvo s VAL 49 Cb -0.18 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1jvo s VAL 49 CO -0.07 0.56 -0.20 -0.22 0.00 0.00 0.00 175.10 175.17 1jvo s LEU 50 N 0.01 2.36 0.24 3.92 2.96 -0.34 -1.60 118.68 126.22 1jvo s LEU 50 Ca -0.07 -0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 53.26 1jvo s LEU 50 Cb -0.15 -1.45 0.07 0.00 0.50 0.00 0.00 46.19 45.16 1jvo s LEU 50 CO 0.05 0.28 0.98 -0.94 -1.32 0.00 0.00 176.35 175.40 1jvo s SER 51 N -0.38 0.02 0.54 3.68 1.04 -0.87 -0.60 113.70 117.12 1jvo s SER 51 Ca 0.03 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.44 1jvo s SER 51 Cb -0.12 0.60 -0.06 0.00 0.10 0.00 0.00 66.02 66.53 1jvo s SER 51 CO 0.02 -1.19 1.09 0.42 0.98 0.00 0.00 173.24 174.55 1jvo s THR 52 N -2.12 3.46 0.54 2.02 -4.23 -1.26 -0.22 115.64 113.84 1jvo s THR 52 Ca 0.21 0.87 0.25 0.00 -1.18 0.00 0.00 61.69 61.84 1jvo s THR 52 Cb -0.03 -3.34 0.38 0.00 1.34 0.00 0.00 72.50 70.84 1jvo s THR 52 CO 0.07 -0.24 2.01 0.00 -0.54 0.00 0.00 174.62 175.93 1jvo h ALA 53 N 1.17 2.33 0.00 3.99 0.00 -1.34 0.66 119.26 126.07 1jvo h ALA 53 Ca -0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1jvo h ALA 53 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jvo h ALA 53 CO 0.57 -0.56 -0.33 0.00 0.00 0.00 0.00 179.25 178.94 1jvo h ALA 54 N 1.74 0.91 -0.00 0.00 0.00 -1.91 -3.29 119.26 116.71 1jvo h ALA 54 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jvo h ALA 54 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jvo h ALA 54 CO -0.00 0.41 -0.82 -0.25 0.00 0.00 0.00 179.25 178.59 1jvo n ASP 55 N -3.36 1.27 0.08 0.00 8.00 0.20 -4.61 116.55 118.12 1jvo n ASP 55 Ca 0.01 -1.11 -0.15 0.00 0.71 0.00 0.00 54.79 54.24 1jvo n ASP 55 Cb 0.54 0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 42.35 1jvo n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1jvo h MET 56 N 0.71 -0.66 -0.74 -1.24 1.85 -1.56 0.96 114.93 114.25 1jvo h MET 56 Ca 0.00 0.05 0.17 0.00 -0.61 0.00 0.00 59.70 59.30 1jvo h MET 56 Cb 0.57 0.15 -0.12 0.00 0.43 0.00 0.00 31.60 32.63 1jvo h MET 56 CO 0.00 -0.44 0.10 0.37 -0.40 0.00 0.00 176.91 176.54 1jvo h GLN 57 N -0.69 0.18 -0.56 0.39 5.75 -1.82 0.29 115.11 118.65 1jvo h GLN 57 Ca 0.00 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1jvo h GLN 57 Cb 0.71 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1jvo h GLN 57 CO -0.31 0.12 0.10 0.78 -2.65 0.00 0.00 178.83 176.87 1jvo h GLY 58 N 0.19 0.99 0.82 2.39 0.00 -1.73 -0.81 103.07 104.92 1jvo h GLY 58 Ca 0.42 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1jvo h GLY 58 CO -0.58 0.61 0.01 -2.08 0.00 0.00 0.00 176.54 174.50 1jvo h VAL 59 N 0.81 1.24 -0.16 4.60 2.07 0.14 -1.84 116.25 123.12 1jvo h VAL 59 Ca 0.17 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1jvo h VAL 59 Cb 0.40 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1jvo h VAL 59 CO 0.01 0.25 0.05 0.58 0.02 0.00 0.00 177.57 178.48 1jvo h VAL 60 N 0.10 0.96 -0.11 2.57 2.07 -0.49 0.29 116.25 121.64 1jvo h VAL 60 Ca 0.06 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1jvo h VAL 60 Cb 0.36 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1jvo h VAL 60 CO 0.01 0.02 -0.04 0.74 0.02 0.00 0.00 177.57 178.32 1jvo h THR 61 N 0.12 0.85 -0.04 2.57 2.02 -1.08 -1.19 112.91 116.16 1jvo h THR 61 Ca 0.07 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.10 1jvo h THR 61 Cb 0.04 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1jvo h THR 61 CO -0.07 0.00 -0.66 0.44 0.37 0.00 0.00 175.52 175.60 1jvo h ASP 62 N -0.02 0.21 -0.62 4.18 3.32 -1.24 -3.10 116.42 119.15 1jvo h ASP 62 Ca 0.06 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1jvo h ASP 62 Cb 0.11 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1jvo h ASP 62 CO -0.13 0.80 0.39 1.23 -1.72 0.00 0.00 179.24 179.81 1jvo h GLY 63 N 1.64 0.88 0.79 2.75 0.00 -0.04 -1.68 103.07 107.41 1jvo h GLY 63 Ca -0.01 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1jvo h GLY 63 CO 0.10 0.26 0.43 1.98 0.00 0.00 0.00 176.54 179.31 1jvo h MET 64 N 0.77 0.80 -0.36 4.80 1.85 -1.15 -2.49 114.93 119.13 1jvo h MET 64 Ca 0.24 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 59.19 1jvo h MET 64 Cb -0.00 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 31.83 1jvo h MET 64 CO -0.09 0.53 -0.15 0.00 -0.40 0.00 0.00 176.91 176.80 1jvo h ALA 65 N 1.33 1.06 -0.32 0.39 0.00 -1.35 -2.98 119.26 117.39 1jvo h ALA 65 Ca 0.30 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jvo h ALA 65 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jvo h ALA 65 CO -0.14 0.57 0.22 0.77 0.00 0.00 0.00 179.25 180.67 1jvo h SER 66 N 0.60 0.16 -4.68 0.00 0.02 -0.85 -3.48 113.55 105.31 1jvo h SER 66 Ca 0.10 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jvo h SER 66 Cb 0.59 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1jvo h SER 66 CO 0.04 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.45 1jvo n GLY 67 N -1.55 0.49 0.37 -3.77 0.00 -1.13 -4.44 105.19 95.16 1jvo n GLY 67 Ca 0.04 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1jvo n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jvo h LEU 68 N 0.00 0.69 0.00 0.99 5.85 -1.91 -1.47 115.31 119.47 1jvo h LEU 68 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1jvo h LEU 68 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1jvo h LEU 68 CO 0.00 0.34 0.00 -0.90 -0.34 0.00 0.00 178.44 177.54 1jvo n ASP 69 N -4.58 0.00 -1.25 1.25 5.75 -1.26 -2.13 116.55 114.33 1jvo n ASP 69 Ca 0.18 0.19 0.08 0.00 -0.01 0.00 0.00 54.79 55.23 1jvo n ASP 69 Cb 0.47 -0.38 0.31 0.00 -1.03 0.00 0.00 41.12 40.49 1jvo n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jvo n LYS 70 N -1.38 3.62 -3.91 0.11 4.76 -0.80 -4.93 118.16 115.63 1jvo n LYS 70 Ca 0.09 -2.94 -0.30 0.00 -2.87 0.00 0.00 58.31 52.29 1jvo n LYS 70 Cb 0.23 -1.98 0.02 0.00 -1.84 0.00 0.00 35.03 31.47 1jvo n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jvo n ASP 71 N -0.05 -4.79 -4.23 4.39 9.92 -0.91 -1.73 116.55 119.16 1jvo n ASP 71 Ca 0.23 -0.78 -0.34 0.00 -0.53 0.00 0.00 54.79 53.38 1jvo n ASP 71 Cb 0.99 -3.83 -0.04 0.00 -0.64 0.00 0.00 41.12 37.59 1jvo n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1jvo n TYR 72 N -4.67 -1.56 -3.74 1.24 4.01 -0.62 -4.78 117.16 107.04 1jvo n TYR 72 Ca 0.05 0.74 -0.14 0.00 -0.16 0.00 0.00 57.90 58.39 1jvo n TYR 72 Cb 0.52 -2.94 -0.15 0.00 -0.31 0.00 0.00 39.34 36.46 1jvo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jvo s LEU 73 N -7.21 0.70 0.24 7.72 1.43 -0.70 -4.33 118.68 116.52 1jvo s LEU 73 Ca 0.47 0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 53.51 1jvo s LEU 73 Cb -0.26 0.26 -0.11 0.00 0.03 0.00 0.00 46.19 46.11 1jvo s LEU 73 CO 0.95 -0.16 1.58 -0.75 0.23 0.00 0.00 176.35 178.20 1jvo s LYS 74 N 1.28 4.17 0.20 1.70 2.20 -1.26 -4.85 119.74 123.19 1jvo s LYS 74 Ca -0.08 2.48 -0.32 0.00 -0.36 0.00 0.00 55.97 57.69 1jvo s LYS 74 Cb -0.12 -3.08 -0.12 0.00 -1.51 0.00 0.00 37.83 33.00 1jvo s LYS 74 CO -0.05 -0.61 1.72 -2.30 -0.36 0.00 0.00 175.35 173.75 1jvo n PRO 75 N 2.98 2.73 -3.80 4.03 -0.02 -1.26 -2.67 135.00 136.99 1jvo n PRO 75 Ca 0.11 0.98 -0.27 0.00 -2.02 0.00 0.00 63.50 62.30 1jvo n PRO 75 Cb 0.38 -2.83 0.04 0.00 -0.02 0.00 0.00 33.50 31.07 1jvo n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jvo n ASP 76 N 3.97 -4.21 -4.68 2.55 8.00 -1.26 -4.91 116.55 116.01 1jvo n ASP 76 Ca 0.16 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.49 1jvo n ASP 76 Cb 0.34 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.27 1jvo n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jvo s ASP 77 N -3.57 6.89 0.55 -2.24 -1.08 -1.09 -4.89 116.67 111.24 1jvo s ASP 77 Ca 0.49 1.97 0.34 0.00 -0.52 0.00 0.00 52.55 54.83 1jvo s ASP 77 Cb -0.24 -2.55 1.41 0.00 -1.46 0.00 0.00 42.92 40.08 1jvo s ASP 77 CO 0.81 -0.73 2.00 0.77 0.52 0.00 0.00 175.17 178.54 1jvo h SER 78 N 8.06 0.00 0.67 -0.34 4.64 -1.93 -2.92 113.55 121.74 1jvo h SER 78 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1jvo h SER 78 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1jvo h SER 78 CO 0.92 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 177.43 1jvo n ARG 79 N -3.10 0.19 -3.27 4.77 1.74 -1.26 -4.67 116.66 111.06 1jvo n ARG 79 Ca 0.00 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 1jvo n ARG 79 Cb 0.30 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.16 1jvo n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jvo s VAL 80 N -2.78 5.02 0.17 1.55 1.01 -1.10 -4.47 120.40 119.80 1jvo s VAL 80 Ca 0.18 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1jvo s VAL 80 Cb 0.17 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1jvo s VAL 80 CO 0.43 -0.53 1.51 0.40 0.00 0.00 0.00 175.10 176.90 1jvo h ILE 81 N 5.78 1.28 -2.40 2.22 2.04 -1.13 -3.47 117.51 121.82 1jvo h ILE 81 Ca -0.27 -1.60 0.10 0.00 1.00 0.00 0.00 64.86 64.09 1jvo h ILE 81 Cb 1.11 1.49 -0.14 0.00 -0.74 0.00 0.00 36.82 38.53 1jvo h ILE 81 CO 0.85 0.52 0.45 0.00 0.00 0.00 0.00 178.15 179.97 1jvo s ALA 82 N -4.29 -1.76 -0.23 1.87 0.00 -1.23 -5.01 121.76 111.12 1jvo s ALA 82 Ca -0.10 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1jvo s ALA 82 Cb 0.11 0.52 0.16 0.00 0.00 0.00 0.00 23.12 23.91 1jvo s ALA 82 CO 0.86 -0.74 1.20 -3.38 0.00 0.00 0.00 175.76 173.70 1jvo s HIS 83 N -3.24 -0.18 0.26 0.00 -3.43 -1.26 -1.20 115.29 106.24 1jvo s HIS 83 Ca 0.05 0.30 0.02 0.00 -0.80 0.00 0.00 55.06 54.63 1jvo s HIS 83 Cb -0.01 0.48 0.05 0.00 -1.43 0.00 0.00 32.58 31.66 1jvo s HIS 83 CO -0.08 -0.17 0.36 0.25 -2.00 0.00 0.00 174.74 173.09 1jvo n THR 84 N 0.56 0.00 -2.43 -5.38 -2.24 -0.55 -4.85 114.28 99.39 1jvo n THR 84 Ca -0.04 -0.73 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 1jvo n THR 84 Cb 0.58 -0.95 0.12 0.00 -2.10 0.00 0.00 70.33 67.98 1jvo n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jvo s LYS 85 N -3.23 1.55 -0.14 -0.78 1.02 -1.26 -4.57 119.74 112.33 1jvo s LYS 85 Ca 0.26 -0.90 -0.23 0.00 0.02 0.00 0.00 55.97 55.12 1jvo s LYS 85 Cb -0.02 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1jvo s LYS 85 CO 0.17 -1.59 0.69 -1.17 -0.92 0.00 0.00 175.35 172.53 1jvo s LEU 86 N -5.28 4.22 0.07 3.17 2.96 -1.26 -4.36 118.68 118.19 1jvo s LEU 86 Ca 0.67 1.04 0.10 0.00 -0.22 0.00 0.00 54.13 55.71 1jvo s LEU 86 Cb -0.06 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 1jvo s LEU 86 CO 0.46 -0.23 -0.27 0.27 -1.32 0.00 0.00 176.35 175.26 1jvo s ILE 87 N 1.52 2.18 0.28 6.68 -4.36 0.46 -4.92 121.20 123.04 1jvo s ILE 87 Ca 0.34 -1.50 0.04 0.00 -0.26 0.00 0.00 60.65 59.27 1jvo s ILE 87 Cb -0.17 -1.88 0.04 0.00 1.25 0.00 0.00 42.46 41.71 1jvo s ILE 87 CO 0.13 0.29 0.35 0.61 0.24 0.00 0.00 174.94 176.56 1jvo n GLY 88 N 1.53 2.14 3.55 6.27 0.00 -1.26 -2.14 105.19 115.27 1jvo n GLY 88 Ca -0.17 -2.19 -0.45 0.00 0.00 0.00 0.00 46.02 43.21 1jvo n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jvo n SER 89 N -2.52 0.66 0.00 1.61 2.88 -0.76 -1.80 113.62 113.69 1jvo n SER 89 Ca 0.06 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1jvo n SER 89 Cb 0.29 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1jvo n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jvo n GLY 90 N 1.40 1.57 2.91 0.46 0.00 0.07 -4.96 105.19 106.64 1jvo n GLY 90 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1jvo n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jvo n GLU 91 N -1.74 -1.42 -3.51 1.61 1.02 -0.74 -4.86 120.64 110.99 1jvo n GLU 91 Ca 0.00 -1.53 -0.12 0.00 -0.02 0.00 0.00 57.16 55.49 1jvo n GLU 91 Cb 0.00 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 1jvo n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1jvo s LYS 92 N -5.17 0.91 0.08 3.49 2.47 -1.26 -2.94 119.74 117.31 1jvo s LYS 92 Ca 0.57 -0.08 -0.26 0.00 -1.56 0.00 0.00 55.97 54.64 1jvo s LYS 92 Cb -0.02 0.42 0.09 0.00 -1.46 0.00 0.00 37.83 36.85 1jvo s LYS 92 CO 0.41 -0.34 0.77 0.34 0.16 0.00 0.00 175.35 176.68 1jvo s ASP 93 N -1.87 -0.44 0.03 1.43 2.15 -0.20 -5.02 116.67 112.75 1jvo s ASP 93 Ca -0.01 -0.03 -0.03 0.00 0.43 0.00 0.00 52.55 52.91 1jvo s ASP 93 Cb -0.01 0.49 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1jvo s ASP 93 CO -0.02 -0.79 0.03 -0.44 -0.17 0.00 0.00 175.17 173.77 1jvo s SER 94 N -2.62 0.24 -0.05 -0.34 0.01 -1.26 -0.17 113.70 109.52 1jvo s SER 94 Ca 0.04 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1jvo s SER 94 Cb -0.01 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.40 1jvo s SER 94 CO -0.10 -0.42 0.13 0.54 0.41 0.00 0.00 173.24 173.79 1jvo s VAL 95 N -2.24 0.00 0.01 3.43 0.11 -0.81 -4.91 120.40 116.00 1jvo s VAL 95 Ca -0.08 -0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 1jvo s VAL 95 Cb -0.04 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1jvo s VAL 95 CO -0.03 -0.02 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.63 1jvo s THR 96 N 0.00 1.60 0.09 5.04 2.01 -1.26 -1.23 115.64 121.89 1jvo s THR 96 Ca -0.01 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1jvo s THR 96 Cb -0.01 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1jvo s THR 96 CO 0.00 0.33 0.01 0.72 -0.69 0.00 0.00 174.62 175.00 1jvo s PHE 97 N -0.61 0.70 -0.32 4.92 -0.71 0.02 -4.96 117.98 117.01 1jvo s PHE 97 Ca 0.07 -1.15 -0.27 0.00 -1.04 0.00 0.00 56.93 54.54 1jvo s PHE 97 Cb -0.08 -0.44 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 1jvo s PHE 97 CO 0.00 -0.45 0.98 -0.51 -1.34 0.00 0.00 175.22 173.90 1jvo s ASP 98 N -2.99 6.82 0.64 1.98 1.11 -1.26 -0.35 116.67 122.63 1jvo s ASP 98 Ca 0.16 0.88 0.24 0.00 0.18 0.00 0.00 52.55 54.01 1jvo s ASP 98 Cb 0.08 -2.50 1.27 0.00 1.07 0.00 0.00 42.92 42.84 1jvo s ASP 98 CO -0.04 -0.81 1.72 0.58 1.18 0.00 0.00 175.17 177.80 1jvo h VAL 99 N 5.71 0.09 -0.25 -1.27 2.07 -1.44 0.10 116.25 121.26 1jvo h VAL 99 Ca -0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1jvo h VAL 99 Cb 1.07 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1jvo h VAL 99 CO 0.99 0.00 0.09 0.77 0.02 0.00 0.00 177.57 179.44 1jvo h SER 100 N 0.00 0.31 -0.01 0.57 4.64 -1.88 -2.27 113.55 114.91 1jvo h SER 100 Ca 0.09 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jvo h SER 100 Cb 1.18 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1jvo h SER 100 CO -0.00 0.30 0.01 0.11 -0.87 0.00 0.00 176.83 176.38 1jvo h LYS 101 N 0.35 0.00 -6.98 4.77 1.57 -1.18 -3.41 116.57 111.69 1jvo h LYS 101 Ca 0.09 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.42 1jvo h LYS 101 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1jvo h LYS 101 CO -0.01 0.00 0.31 -0.51 -0.57 0.00 0.00 179.45 178.68 1jvo s LEU 102 N -8.66 4.06 -0.21 2.94 1.43 -0.85 -5.05 118.68 112.32 1jvo s LEU 102 Ca -0.05 1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1jvo s LEU 102 Cb 0.16 -4.35 0.06 0.00 0.03 0.00 0.00 46.19 42.09 1jvo s LEU 102 CO 0.64 -0.27 -0.03 -1.59 0.23 0.00 0.00 176.35 175.33 1jvo s LYS 103 N -2.87 1.34 0.27 1.70 -2.85 -1.26 -5.03 119.74 111.03 1jvo s LYS 103 Ca 0.58 -0.75 -0.21 0.00 -1.00 0.00 0.00 55.97 54.59 1jvo s LYS 103 Cb -0.12 -2.36 -0.14 0.00 -2.06 0.00 0.00 37.83 33.16 1jvo s LYS 103 CO 0.16 -0.58 0.25 -1.91 0.10 0.00 0.00 175.35 173.37 1jvo n GLU 104 N 4.81 0.00 0.00 1.78 2.13 -1.26 -2.30 120.64 125.80 1jvo n GLU 104 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1jvo n GLU 104 Cb 0.46 -0.86 0.00 0.00 0.27 0.00 0.00 31.44 31.30 1jvo n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jvo n GLY 105 N 1.88 2.89 3.87 8.31 0.00 -1.26 -5.05 105.19 115.84 1jvo n GLY 105 Ca 0.12 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1jvo n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jvo s GLU 106 N 0.00 3.06 -0.25 1.61 2.12 -0.97 -5.05 118.70 119.21 1jvo s GLU 106 Ca 0.00 0.59 -0.13 0.00 0.36 0.00 0.00 54.97 55.79 1jvo s GLU 106 Cb 0.00 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1jvo s GLU 106 CO 0.00 -0.92 0.28 -0.65 -0.54 0.00 0.00 175.26 173.43 1jvo s GLN 107 N -5.28 4.04 -0.04 4.30 -0.21 -1.26 -4.87 119.66 116.34 1jvo s GLN 107 Ca 0.57 -0.10 0.05 0.00 0.02 0.00 0.00 55.36 55.90 1jvo s GLN 107 Cb -0.11 -3.61 -0.03 0.00 1.00 0.00 0.00 33.01 30.26 1jvo s GLN 107 CO 0.53 -0.13 -0.17 0.71 -2.12 0.00 0.00 175.29 174.11 1jvo s TYR 108 N 1.62 2.63 -0.03 0.91 2.02 -1.25 -0.92 117.35 122.32 1jvo s TYR 108 Ca 0.12 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 1jvo s TYR 108 Cb -0.15 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1jvo s TYR 108 CO 0.09 0.15 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.40 1jvo s MET 109 N -0.75 1.67 0.14 -0.62 -1.94 0.70 -1.17 119.30 117.33 1jvo s MET 109 Ca 0.11 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.55 1jvo s MET 109 Cb -0.10 -1.51 -0.04 0.00 2.01 0.00 0.00 34.83 35.19 1jvo s MET 109 CO 0.01 0.29 -0.11 -0.59 -0.01 0.00 0.00 175.02 174.61 1jvo s PHE 110 N -0.12 2.66 -0.01 -0.03 -0.12 -0.17 -2.06 117.98 118.12 1jvo s PHE 110 Ca -0.00 -0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 56.37 1jvo s PHE 110 Cb -0.10 -1.35 0.11 0.00 -0.63 0.00 0.00 43.02 41.05 1jvo s PHE 110 CO 0.01 0.45 1.16 -0.59 -0.05 0.00 0.00 175.22 176.20 1jvo s PHE 111 N -1.41 -0.11 -0.06 3.49 -0.71 -0.63 -0.84 117.98 117.70 1jvo s PHE 111 Ca 0.22 -0.03 -0.12 0.00 -1.04 0.00 0.00 56.93 55.96 1jvo s PHE 111 Cb -0.10 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 1jvo s PHE 111 CO 0.14 -0.41 0.31 0.00 -1.34 0.00 0.00 175.22 173.92 1jvo n THR 113 N 2.21 0.94 -2.03 0.00 -2.24 -1.26 -3.70 114.28 108.20 1jvo n THR 113 Ca -0.15 -0.93 -0.41 0.00 -2.27 0.00 0.00 64.05 60.29 1jvo n THR 113 Cb 0.53 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 1jvo n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jvo s PHE 114 N -1.09 2.93 -0.32 4.78 2.19 -1.26 -4.50 117.98 120.70 1jvo s PHE 114 Ca 0.46 1.34 -0.42 0.00 0.33 0.00 0.00 56.93 58.64 1jvo s PHE 114 Cb 0.24 -3.77 -0.18 0.00 -1.31 0.00 0.00 43.02 38.00 1jvo s PHE 114 CO 0.31 -2.18 1.63 -2.30 1.83 0.00 0.00 175.22 174.52 1jvo n PRO 115 N 0.75 0.66 0.00 10.12 -0.02 -1.26 -1.78 135.00 143.46 1jvo n PRO 115 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1jvo n PRO 115 Cb 0.41 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1jvo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jvo n GLY 116 N 3.87 2.99 0.18 -1.23 0.00 -1.26 -4.88 105.19 104.86 1jvo n GLY 116 Ca 0.27 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1jvo n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jvo h HIS 117 N 0.00 0.00 -0.16 1.61 3.86 -1.64 -3.08 115.15 115.74 1jvo h HIS 117 Ca 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1jvo h HIS 117 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1jvo h HIS 117 CO 0.00 0.40 0.19 0.66 0.86 0.00 0.00 177.93 180.04 1jvo h SER 118 N 0.00 0.00 -0.86 2.45 4.64 -1.73 0.54 113.55 118.59 1jvo h SER 118 Ca -0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1jvo h SER 118 Cb 0.82 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.82 1jvo h SER 118 CO 0.05 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 176.48 1jvo h ALA 119 N 1.78 1.29 0.00 5.18 0.00 -1.90 -3.28 119.26 122.33 1jvo h ALA 119 Ca 0.08 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1jvo h ALA 119 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jvo h ALA 119 CO -0.00 -0.01 -1.57 1.28 0.00 0.00 0.00 179.25 178.95 1jvo n LEU 120 N -4.81 1.10 -4.45 0.00 4.77 -0.58 -4.91 117.00 108.12 1jvo n LEU 120 Ca 0.17 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.68 1jvo n LEU 120 Cb 0.39 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1jvo n LEU 120 CO 0.23 0.37 1.20 -0.04 -1.33 0.00 0.00 177.39 177.83 1jvo s MET 121 N -2.20 3.93 0.09 3.23 -1.94 0.18 -4.83 119.30 117.76 1jvo s MET 121 Ca -0.08 -2.36 -0.24 0.00 -1.71 0.00 0.00 55.69 51.29 1jvo s MET 121 Cb 0.03 -4.97 0.07 0.00 2.01 0.00 0.00 34.83 31.96 1jvo s MET 121 CO 0.30 -1.72 0.60 -1.59 -0.01 0.00 0.00 175.02 172.59 1jvo s LYS 122 N 1.71 1.18 0.38 2.03 0.00 -1.26 -2.50 119.74 121.28 1jvo s LYS 122 Ca 0.38 -0.27 -0.15 0.00 0.00 0.00 0.00 55.97 55.94 1jvo s LYS 122 Cb -0.04 0.54 0.05 0.00 0.00 0.00 0.00 37.83 38.38 1jvo s LYS 122 CO -0.04 -0.47 0.77 0.20 0.00 0.00 0.00 175.35 175.81 1jvo s GLY 123 N -2.25 0.43 -0.08 0.59 0.00 -0.02 -4.78 107.32 101.21 1jvo s GLY 123 Ca -0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 44.72 43.90 1jvo s GLY 123 CO -0.06 -0.35 -0.04 -0.51 0.00 0.00 0.00 173.10 172.14 1jvo s THR 124 N -2.40 3.92 -0.24 0.90 -4.23 -0.37 -1.00 115.64 112.22 1jvo s THR 124 Ca 0.16 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.25 1jvo s THR 124 Cb -0.05 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1jvo s THR 124 CO 0.12 0.60 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.53 1jvo s LEU 125 N -0.77 3.09 -0.05 4.79 0.20 -0.32 -0.53 118.68 125.09 1jvo s LEU 125 Ca 0.12 -0.67 0.03 0.00 0.69 0.00 0.00 54.13 54.30 1jvo s LEU 125 Cb -0.11 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 1jvo s LEU 125 CO 0.02 -0.09 -0.11 -0.89 -0.29 0.00 0.00 176.35 174.99 1jvo s THR 126 N 1.40 3.32 -0.67 3.68 2.01 0.24 -3.81 115.64 121.81 1jvo s THR 126 Ca 0.03 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 1jvo s THR 126 Cb -0.16 -2.33 0.15 0.00 0.01 0.00 0.00 72.50 70.18 1jvo s THR 126 CO -0.04 0.59 0.66 -0.22 -0.69 0.00 0.00 174.62 174.92 1jvo s LEU 127 N -0.79 6.17 0.00 4.42 1.98 -1.26 -0.60 118.68 128.60 1jvo s LEU 127 Ca 0.12 -2.03 0.14 0.00 -2.89 0.00 0.00 54.13 49.47 1jvo s LEU 127 Cb -0.11 -2.24 0.11 0.00 0.66 0.00 0.00 46.19 44.62 1jvo s LEU 127 CO 0.01 -0.83 0.94 2.29 -1.89 0.00 0.00 176.35 176.88