#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 3.22 -1.16 0.00 2.12 -1.26 -4.59 118.70 117.03 1jvo s GLU 2 Ca 0.00 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1jvo s GLU 2 Cb 0.00 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.71 1jvo s GLU 2 CO 0.00 -0.05 0.00 0.00 -0.54 0.00 0.00 175.26 174.67 1jvo s SER 4 N -2.79 -0.56 -0.05 0.00 1.04 -1.26 -1.36 113.70 108.72 1jvo s SER 4 Ca 0.00 0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 1jvo s SER 4 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.71 1jvo s SER 4 CO 0.00 -0.86 0.28 0.54 0.98 0.00 0.00 173.24 174.18 1jvo s VAL 5 N -3.06 0.04 -0.25 5.02 0.11 -0.55 -3.13 120.40 118.58 1jvo s VAL 5 Ca -0.02 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1jvo s VAL 5 Cb -0.01 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1jvo s VAL 5 CO -0.07 -0.17 0.05 -1.81 -3.33 0.00 0.00 175.10 169.77 1jvo s ASP 6 N -0.73 4.95 0.11 3.54 1.11 -1.26 -1.94 116.67 122.45 1jvo s ASP 6 Ca -0.08 -0.34 0.10 0.00 0.18 0.00 0.00 52.55 52.41 1jvo s ASP 6 Cb -0.04 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 1jvo s ASP 6 CO 0.02 -0.06 -0.25 -0.51 1.18 0.00 0.00 175.17 175.55 1jvo s ILE 7 N 1.57 2.07 0.09 0.77 2.07 -0.63 -5.00 121.20 122.14 1jvo s ILE 7 Ca 0.06 -1.65 0.07 0.00 -1.41 0.00 0.00 60.65 57.71 1jvo s ILE 7 Cb -0.15 -1.84 -0.03 0.00 0.13 0.00 0.00 42.46 40.56 1jvo s ILE 7 CO 0.02 0.07 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.85 1jvo s GLN 8 N -1.93 0.98 -0.15 3.50 -0.21 -1.26 -2.21 119.66 118.38 1jvo s GLN 8 Ca 0.11 -1.08 -0.00 0.00 0.02 0.00 0.00 55.36 54.41 1jvo s GLN 8 Cb -0.10 -1.10 0.03 0.00 1.00 0.00 0.00 33.01 32.85 1jvo s GLN 8 CO 0.05 0.25 -0.08 0.20 -2.12 0.00 0.00 175.29 173.59 1jvo s GLY 9 N -1.89 0.98 0.50 3.09 0.00 -0.83 -2.08 107.32 107.09 1jvo s GLY 9 Ca 0.03 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.01 1jvo s GLY 9 CO 0.03 0.80 0.53 1.16 0.00 0.00 0.00 173.10 175.63 1jvo n ASN 10 N 4.86 2.25 0.16 1.64 0.23 -1.09 -3.68 115.26 119.62 1jvo n ASN 10 Ca -0.13 -2.54 0.13 0.00 -0.53 0.00 0.00 54.58 51.50 1jvo n ASN 10 Cb 0.49 -0.20 0.55 0.00 -2.08 0.00 0.00 39.78 38.54 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 0.35 0.00 -0.12 0.53 3.32 -1.91 -2.21 116.42 116.38 1jvo h ASP 11 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1jvo h ASP 11 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1jvo h ASP 11 CO 0.42 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1jvo n GLN 12 N -2.38 1.35 -3.30 3.56 3.00 -1.26 -4.91 117.38 113.44 1jvo n GLN 12 Ca 0.01 -0.54 -0.17 0.00 -0.01 0.00 0.00 57.00 56.29 1jvo n GLN 12 Cb 0.21 -1.23 0.07 0.00 0.00 0.00 0.00 30.24 29.30 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 -0.15 -6.09 -3.95 -1.09 1.56 -0.83 -5.03 117.12 101.54 1jvo n MET 13 Ca 0.10 0.72 -0.10 0.00 -0.27 0.00 0.00 57.70 58.15 1jvo n MET 13 Cb 0.16 -5.38 -0.11 0.00 2.15 0.00 0.00 33.22 30.03 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 -5.52 0.27 0.19 2.12 -0.21 -1.26 -4.36 119.66 110.90 1jvo s GLN 14 Ca 0.19 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 55.02 1jvo s GLN 14 Cb -0.08 0.10 -0.06 0.00 1.00 0.00 0.00 33.01 33.96 1jvo s GLN 14 CO 0.62 -0.05 0.47 -0.06 -2.12 0.00 0.00 175.29 174.16 1jvo s PHE 15 N -1.18 3.45 -0.48 0.91 0.08 -1.26 -2.68 117.98 116.82 1jvo s PHE 15 Ca -0.13 0.71 0.02 0.00 0.12 0.00 0.00 56.93 57.65 1jvo s PHE 15 Cb -0.08 -2.13 0.19 0.00 -0.57 0.00 0.00 43.02 40.43 1jvo s PHE 15 CO -0.01 0.34 1.01 0.27 -0.10 0.00 0.00 175.22 176.73 1jvo n ASN 16 N -0.10 2.66 0.00 1.36 6.94 -0.88 -4.79 115.26 120.45 1jvo n ASN 16 Ca -0.01 -2.31 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1jvo n ASN 16 Cb 0.52 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 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 0.12 0.00 -0.12 5.53 5.66 -1.26 -4.93 114.28 119.28 1jvo n THR 17 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1jvo n THR 17 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 1.44 -3.74 1.09 0.23 -1.26 -4.84 115.26 108.17 1jvo n ASN 18 Ca 0.00 -1.56 -0.15 0.00 -0.53 0.00 0.00 54.58 52.34 1jvo n ASN 18 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 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 -0.56 -0.02 -0.05 -2.53 0.00 -1.26 0.26 121.76 117.60 1jvo s ALA 19 Ca 0.00 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.44 1jvo s ALA 19 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1jvo s ALA 19 CO 0.00 -0.21 -0.24 0.42 0.00 0.00 0.00 175.76 175.73 1jvo s ILE 20 N 1.36 1.96 -0.21 0.00 1.01 -0.01 -4.97 121.20 120.34 1jvo s ILE 20 Ca -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1jvo s ILE 20 Cb -0.12 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1jvo s ILE 20 CO -0.04 0.55 -0.12 -0.89 0.00 0.00 0.00 174.94 174.43 1jvo s THR 21 N -0.15 2.57 -0.33 2.92 2.01 -1.26 -0.42 115.64 120.99 1jvo s THR 21 Ca -0.03 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 1jvo s THR 21 Cb -0.13 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 1jvo s THR 21 CO 0.03 0.39 0.28 -0.69 -0.69 0.00 0.00 174.62 173.95 1jvo s VAL 22 N 1.33 5.24 0.04 3.82 1.01 0.78 -4.96 120.40 127.65 1jvo s VAL 22 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1jvo s VAL 22 Cb -0.15 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1jvo s VAL 22 CO -0.08 0.01 1.49 -0.62 0.00 0.00 0.00 175.10 175.90 1jvo s ASP 23 N 1.73 6.76 0.57 3.32 -1.08 -1.26 -2.25 116.67 124.46 1jvo s ASP 23 Ca 0.09 2.27 0.28 0.00 -0.52 0.00 0.00 52.55 54.66 1jvo s ASP 23 Cb -0.17 -2.56 1.52 0.00 -1.46 0.00 0.00 42.92 40.25 1jvo s ASP 23 CO 0.11 -0.77 2.00 0.11 0.52 0.00 0.00 175.17 177.13 1jvo h LYS 24 N 7.90 0.00 0.00 4.34 1.57 -1.30 0.09 116.57 129.16 1jvo h LYS 24 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1jvo h LYS 24 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1jvo h LYS 24 CO 0.91 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.45 1jvo h SER 25 N 0.00 0.00 -3.72 0.86 4.64 -1.90 -3.44 113.55 109.99 1jvo h SER 25 Ca 0.18 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.99 1jvo h SER 25 Cb 0.88 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1jvo h SER 25 CO -0.00 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 176.43 1jvo h LYS 27 N 4.26 0.45 -3.98 0.00 6.56 -1.88 -3.42 116.57 118.56 1jvo h LYS 27 Ca -0.46 -0.72 -0.12 0.00 -1.06 0.00 0.00 60.65 58.30 1jvo h LYS 27 Cb 1.21 0.26 -0.16 0.00 -0.57 0.00 0.00 32.23 32.97 1jvo h LYS 27 CO 0.69 1.33 -0.56 1.14 -2.06 0.00 0.00 179.45 179.99 1jvo s GLN 28 N -2.63 0.63 0.13 3.15 -2.07 -1.26 -0.87 119.66 116.74 1jvo s GLN 28 Ca -0.11 -0.96 0.10 0.00 -1.82 0.00 0.00 55.36 52.57 1jvo s GLN 28 Cb 0.03 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1jvo s GLN 28 CO 0.89 -0.15 -0.23 0.12 -1.32 0.00 0.00 175.29 174.60 1jvo s PHE 29 N -3.29 2.40 -0.06 9.60 5.36 0.39 -4.84 117.98 127.55 1jvo s PHE 29 Ca 0.01 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1jvo s PHE 29 Cb 0.03 -1.28 0.01 0.00 -0.34 0.00 0.00 43.02 41.44 1jvo s PHE 29 CO -0.08 0.38 -0.13 0.99 -1.46 0.00 0.00 175.22 174.92 1jvo s THR 30 N -1.16 1.15 -0.16 0.12 2.01 -0.46 -1.36 115.64 115.77 1jvo s THR 30 Ca 0.16 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1jvo s THR 30 Cb -0.10 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 1jvo s THR 30 CO 0.08 0.35 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.54 1jvo s VAL 31 N 0.49 2.87 -0.35 3.82 1.01 -0.23 -1.48 120.40 126.53 1jvo s VAL 31 Ca -0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1jvo s VAL 31 Cb -0.14 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1jvo s VAL 31 CO 0.03 0.50 0.11 0.20 0.00 0.00 0.00 175.10 175.94 1jvo s ASN 32 N 0.81 5.19 -0.08 3.32 0.01 -0.82 -1.48 114.94 121.90 1jvo s ASN 32 Ca -0.05 -1.41 -0.13 0.00 -0.71 0.00 0.00 52.86 50.56 1jvo s ASN 32 Cb -0.15 -1.82 -0.05 0.00 0.41 0.00 0.00 41.25 39.64 1jvo s ASN 32 CO 0.00 -0.37 0.31 -0.22 -1.51 0.00 0.00 177.10 175.31 1jvo s LEU 33 N 1.30 4.38 0.03 0.60 2.96 0.22 -1.61 118.68 126.56 1jvo s LEU 33 Ca -0.00 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1jvo s LEU 33 Cb -0.21 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 1jvo s LEU 33 CO -0.00 0.27 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.31 1jvo s SER 34 N -0.58 0.53 -0.46 3.68 1.04 -0.94 -1.73 113.70 115.24 1jvo s SER 34 Ca 0.20 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1jvo s SER 34 Cb -0.14 0.05 0.12 0.00 0.10 0.00 0.00 66.02 66.15 1jvo s SER 34 CO 0.08 -0.21 0.21 -2.28 0.98 0.00 0.00 173.24 172.02 1jvo s HIS 35 N -1.24 3.49 -2.00 5.02 2.46 -1.18 -1.97 115.29 119.87 1jvo s HIS 35 Ca -0.11 -2.90 0.20 0.00 0.47 0.00 0.00 55.06 52.72 1jvo s HIS 35 Cb -0.09 -3.00 1.21 0.00 -0.13 0.00 0.00 32.58 30.57 1jvo s HIS 35 CO -0.00 -0.87 1.71 -0.35 -2.47 0.00 0.00 174.74 172.75 1jvo n PRO 36 N 3.82 0.89 0.00 2.88 -0.04 -1.24 -0.22 135.00 141.09 1jvo n PRO 36 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1jvo n PRO 36 Cb 0.38 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.66 -1.81 0.00 0.55 0.00 -1.26 -4.84 105.19 98.50 1jvo n GLY 37 Ca 0.15 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.80 4.77 -4.77 1.61 5.03 -1.26 -3.93 115.26 113.91 1jvo n ASN 38 Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 1jvo n ASN 38 Cb 0.00 0.55 -0.01 0.00 -1.02 0.00 0.00 39.78 39.30 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 -3.70 4.28 0.74 3.41 1.43 -1.26 -4.71 118.68 118.86 1jvo s LEU 39 Ca 0.00 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 1jvo s LEU 39 Cb 0.00 -3.84 0.03 0.00 0.03 0.00 0.00 46.19 42.41 1jvo s LEU 39 CO 0.00 -0.73 1.07 -2.16 0.23 0.00 0.00 176.35 174.77 1jvo s PRO 40 N -2.11 2.58 0.56 1.29 0.04 -1.26 -2.37 135.00 133.72 1jvo s PRO 40 Ca 0.54 0.98 0.44 0.00 0.04 0.00 0.00 61.00 63.00 1jvo s PRO 40 Cb -0.37 -1.95 1.60 0.00 0.04 0.00 0.00 34.50 33.82 1jvo s PRO 40 CO 0.48 -1.36 1.62 -0.22 0.04 0.00 0.00 177.00 177.56 1jvo h LYS 41 N -0.91 0.00 0.77 4.56 3.64 -1.86 -1.25 116.57 121.51 1jvo h LYS 41 Ca -0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1jvo h LYS 41 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1jvo h LYS 41 CO 0.55 0.00 -0.49 0.00 -2.27 0.00 0.00 179.45 177.24 1jvo h VAL 43 N -1.18 0.94 -0.92 0.00 2.07 -1.62 -3.42 116.25 112.12 1jvo h VAL 43 Ca -0.10 -2.42 -0.41 0.00 0.82 0.00 0.00 66.70 64.58 1jvo h VAL 43 Cb 0.96 2.69 -0.41 0.00 -1.52 0.00 0.00 31.29 33.01 1jvo h VAL 43 CO 0.09 0.77 -1.01 0.80 0.02 0.00 0.00 177.57 178.25 1jvo n MET 44 N -3.77 2.25 -2.62 1.57 0.00 -0.78 -5.04 117.12 108.74 1jvo n MET 44 Ca -0.26 -3.77 -0.35 0.00 -0.00 0.00 0.00 57.70 53.32 1jvo n MET 44 Cb 0.97 -1.75 -0.05 0.00 0.00 0.00 0.00 33.22 32.40 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 -3.48 2.64 0.14 -5.12 0.00 -1.13 -4.79 107.32 95.57 1jvo s GLY 45 Ca 0.36 0.61 0.05 0.00 0.00 0.00 0.00 44.72 45.74 1jvo s GLY 45 CO -0.03 1.00 -0.11 0.30 0.00 0.00 0.00 173.10 174.25 1jvo s HIS 46 N -1.80 1.29 0.19 1.90 3.76 -0.85 -4.68 115.29 115.10 1jvo s HIS 46 Ca 0.59 -0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 1jvo s HIS 46 Cb -0.18 -0.66 -0.00 0.00 1.11 0.00 0.00 32.58 32.84 1jvo s HIS 46 CO 0.23 0.10 0.36 0.54 -0.85 0.00 0.00 174.74 175.13 1jvo s ASN 47 N -2.92 -0.04 -0.24 1.40 2.20 -1.26 0.23 114.94 114.31 1jvo s ASN 47 Ca 0.14 -0.83 0.02 0.00 -0.94 0.00 0.00 52.86 51.25 1jvo s ASN 47 Cb -0.00 0.49 0.05 0.00 -2.00 0.00 0.00 41.25 39.80 1jvo s ASN 47 CO 0.01 -0.97 -0.10 0.86 -2.94 0.00 0.00 177.10 173.96 1jvo s TRP 48 N -3.97 2.89 -0.06 1.54 -0.00 -1.26 -4.03 118.94 114.06 1jvo s TRP 48 Ca 0.18 -2.02 0.06 0.00 -0.00 0.00 0.00 56.10 54.31 1jvo s TRP 48 Cb 0.02 -1.80 -0.01 0.00 -0.00 0.00 0.00 33.47 31.67 1jvo s TRP 48 CO 0.02 -0.83 -0.23 0.08 -0.00 0.00 0.00 176.95 175.99 1jvo s VAL 49 N 1.23 2.21 -0.10 5.86 1.01 0.28 -1.67 120.40 129.22 1jvo s VAL 49 Ca -0.06 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1jvo s VAL 49 Cb -0.19 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1jvo s VAL 49 CO -0.06 0.57 -0.20 -0.22 0.00 0.00 0.00 175.10 175.19 1jvo s LEU 50 N -0.24 2.35 0.36 3.92 2.96 -0.58 -1.33 118.68 126.13 1jvo s LEU 50 Ca -0.01 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 1jvo s LEU 50 Cb -0.13 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.12 1jvo s LEU 50 CO 0.03 0.19 0.72 -0.94 -1.32 0.00 0.00 176.35 175.03 1jvo s SER 51 N 0.16 0.12 0.45 3.68 1.04 -0.75 -1.20 113.70 117.21 1jvo s SER 51 Ca -0.11 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 54.97 1jvo s SER 51 Cb -0.16 0.80 -0.09 0.00 0.10 0.00 0.00 66.02 66.67 1jvo s SER 51 CO 0.06 -1.57 1.04 0.42 0.98 0.00 0.00 173.24 174.18 1jvo s THR 52 N -2.67 3.76 0.43 2.02 -4.23 -1.26 -0.80 115.64 112.88 1jvo s THR 52 Ca 0.18 1.19 0.23 0.00 -1.18 0.00 0.00 61.69 62.10 1jvo s THR 52 Cb -0.04 -3.53 0.43 0.00 1.34 0.00 0.00 72.50 70.70 1jvo s THR 52 CO 0.12 -0.15 1.77 0.00 -0.54 0.00 0.00 174.62 175.82 1jvo h ALA 53 N 1.91 2.46 0.00 3.99 0.00 -1.45 0.12 119.26 126.30 1jvo h ALA 53 Ca -0.49 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1jvo h ALA 53 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jvo h ALA 53 CO 0.60 -0.87 -0.47 0.00 0.00 0.00 0.00 179.25 178.51 1jvo h ALA 54 N 1.58 1.03 0.00 0.00 0.00 -1.91 -3.25 119.26 116.71 1jvo h ALA 54 Ca 0.61 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jvo h ALA 54 Cb 1.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1jvo h ALA 54 CO -0.25 0.58 -0.92 -0.25 0.00 0.00 0.00 179.25 178.41 1jvo n ASP 55 N -3.70 0.67 -0.13 0.00 8.00 0.39 -4.56 116.55 117.22 1jvo n ASP 55 Ca -0.01 0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 1jvo n ASP 55 Cb 0.54 0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 42.09 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 0.00 -0.34 -0.72 -1.24 4.05 -1.49 -0.36 114.93 114.83 1jvo h MET 56 Ca 0.00 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.60 1jvo h MET 56 Cb 0.80 0.08 -0.13 0.00 -0.80 0.00 0.00 31.60 31.55 1jvo h MET 56 CO 0.00 -0.23 -0.07 0.37 0.23 0.00 0.00 176.91 177.21 1jvo h GLN 57 N -0.35 0.06 -0.11 0.39 5.75 -1.81 0.59 115.11 119.62 1jvo h GLN 57 Ca 0.07 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1jvo h GLN 57 Cb 0.54 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1jvo h GLN 57 CO -0.55 0.04 -0.07 0.78 -2.65 0.00 0.00 178.83 176.37 1jvo h GLY 58 N 0.06 0.02 0.99 2.39 0.00 -1.44 -0.62 103.07 104.46 1jvo h GLY 58 Ca 0.37 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 1jvo h GLY 58 CO -0.67 -0.09 0.26 -2.08 0.00 0.00 0.00 176.54 173.96 1jvo h VAL 59 N -0.08 1.14 -0.82 4.60 2.07 0.49 -1.84 116.25 121.80 1jvo h VAL 59 Ca 0.07 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1jvo h VAL 59 Cb 0.18 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1jvo h VAL 59 CO -0.16 0.14 0.41 0.58 0.02 0.00 0.00 177.57 178.56 1jvo h VAL 60 N 0.58 1.25 0.18 2.57 2.07 -0.72 0.32 116.25 122.49 1jvo h VAL 60 Ca 0.16 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1jvo h VAL 60 Cb -0.01 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1jvo h VAL 60 CO -0.03 0.29 -0.09 0.74 0.02 0.00 0.00 177.57 178.51 1jvo h THR 61 N 1.15 0.93 -0.64 2.57 2.02 -0.93 -2.47 112.91 115.54 1jvo h THR 61 Ca 0.28 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1jvo h THR 61 Cb 0.09 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1jvo h THR 61 CO -0.04 0.15 0.05 0.44 0.37 0.00 0.00 175.52 176.49 1jvo h ASP 62 N -0.58 1.06 -0.42 4.18 3.32 -1.29 -2.90 116.42 119.80 1jvo h ASP 62 Ca -0.02 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 56.81 1jvo h ASP 62 Cb 0.43 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1jvo h ASP 62 CO 0.04 1.08 0.07 1.23 -1.72 0.00 0.00 179.24 179.95 1jvo h GLY 63 N 1.02 0.49 0.30 2.75 0.00 -0.38 -0.29 103.07 106.96 1jvo h GLY 63 Ca 0.19 -0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.63 1jvo h GLY 63 CO 0.02 -0.05 0.41 1.98 0.00 0.00 0.00 176.54 178.90 1jvo h MET 64 N 0.20 0.60 -0.01 4.80 1.85 -1.25 -0.47 114.93 120.66 1jvo h MET 64 Ca 0.20 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.17 1jvo h MET 64 Cb 0.25 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 1jvo h MET 64 CO -0.27 0.40 -0.42 0.00 -0.40 0.00 0.00 176.91 176.22 1jvo h ALA 65 N 1.52 1.30 0.00 0.39 0.00 -0.95 -2.99 119.26 118.53 1jvo h ALA 65 Ca 0.43 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jvo h ALA 65 Cb 0.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jvo h ALA 65 CO -0.33 0.53 -0.07 0.77 0.00 0.00 0.00 179.25 180.14 1jvo h SER 66 N 0.01 0.00 -4.45 0.00 0.02 0.44 -3.49 113.55 106.09 1jvo h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvo h SER 66 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1jvo h SER 66 CO 0.05 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 1jvo n GLY 67 N -1.34 -0.44 0.36 -3.77 0.00 -1.13 -4.29 105.19 94.58 1jvo n GLY 67 Ca -0.03 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 0.84 -0.52 0.99 5.85 -1.91 -0.47 115.31 120.08 1jvo h LEU 68 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jvo h LEU 68 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1jvo h LEU 68 CO 0.00 0.35 0.00 -0.90 -0.34 0.00 0.00 178.44 177.55 1jvo n ASP 69 N -4.71 0.55 -1.46 1.25 5.75 -1.26 -1.51 116.55 115.16 1jvo n ASP 69 Ca 0.22 0.63 0.10 0.00 -0.01 0.00 0.00 54.79 55.73 1jvo n ASP 69 Cb 0.50 -0.75 0.34 0.00 -1.03 0.00 0.00 41.12 40.18 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 -2.10 3.18 -1.73 0.11 4.76 -0.26 -4.90 118.16 117.22 1jvo n LYS 70 Ca 0.03 -2.71 -0.19 0.00 -2.87 0.00 0.00 58.31 52.56 1jvo n LYS 70 Cb 0.23 -1.72 -0.07 0.00 -1.84 0.00 0.00 35.03 31.63 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 1.38 -5.36 -3.54 4.39 9.92 -0.57 -2.17 116.55 120.60 1jvo n ASP 71 Ca 0.25 0.37 -0.20 0.00 -0.53 0.00 0.00 54.79 54.68 1jvo n ASP 71 Cb 0.74 -4.52 0.07 0.00 -0.64 0.00 0.00 41.12 36.78 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 -2.78 -2.29 -3.72 1.24 4.01 -0.77 -4.71 117.16 108.15 1jvo n TYR 72 Ca -0.20 0.94 -0.12 0.00 -0.16 0.00 0.00 57.90 58.35 1jvo n TYR 72 Cb 0.64 -4.89 -0.13 0.00 -0.31 0.00 0.00 39.34 34.65 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 -6.66 0.30 0.12 7.72 1.43 -0.92 -4.40 118.68 116.26 1jvo s LEU 73 Ca 0.16 0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 53.52 1jvo s LEU 73 Cb -0.07 0.81 -0.09 0.00 0.03 0.00 0.00 46.19 46.86 1jvo s LEU 73 CO 0.75 -0.17 1.64 -0.75 0.23 0.00 0.00 176.35 178.04 1jvo s LYS 74 N 1.37 4.20 0.15 1.70 2.20 -1.26 -4.84 119.74 123.24 1jvo s LYS 74 Ca -0.09 2.38 -0.34 0.00 -0.36 0.00 0.00 55.97 57.56 1jvo s LYS 74 Cb -0.10 -3.39 -0.15 0.00 -1.51 0.00 0.00 37.83 32.68 1jvo s LYS 74 CO -0.09 -0.69 1.47 -2.30 -0.36 0.00 0.00 175.35 173.38 1jvo n PRO 75 N 4.86 1.80 -3.89 4.03 -0.02 -1.26 -2.16 135.00 138.37 1jvo n PRO 75 Ca 0.15 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.99 1jvo n PRO 75 Cb 0.39 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.97 -4.34 -4.63 2.55 8.00 -1.26 -4.89 116.55 114.96 1jvo n ASP 76 Ca 0.17 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.45 1jvo n ASP 76 Cb 0.26 -3.90 -0.02 0.00 -0.02 0.00 0.00 41.12 37.43 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 -3.45 6.41 0.59 -2.24 -1.08 -0.92 -4.86 116.67 111.12 1jvo s ASP 77 Ca 0.58 1.56 0.35 0.00 -0.52 0.00 0.00 52.55 54.51 1jvo s ASP 77 Cb -0.29 -2.53 1.88 0.00 -1.46 0.00 0.00 42.92 40.52 1jvo s ASP 77 CO 0.83 -1.25 2.22 0.77 0.52 0.00 0.00 175.17 178.26 1jvo h SER 78 N 10.59 0.00 0.97 -0.34 4.64 -1.91 -2.11 113.55 125.38 1jvo h SER 78 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1jvo h SER 78 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1jvo h SER 78 CO 1.01 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 177.54 1jvo n ARG 79 N -3.44 0.16 -3.06 4.77 1.74 -1.26 -4.65 116.66 110.92 1jvo n ARG 79 Ca -0.02 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.91 1jvo n ARG 79 Cb 0.15 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 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 -3.16 4.79 0.17 1.55 1.01 -0.80 -4.51 120.40 119.44 1jvo s VAL 80 Ca 0.08 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1jvo s VAL 80 Cb 0.11 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1jvo s VAL 80 CO 0.45 -0.57 1.46 0.40 0.00 0.00 0.00 175.10 176.85 1jvo h ILE 81 N 5.86 1.31 -2.51 2.22 2.04 -1.42 -3.48 117.51 121.53 1jvo h ILE 81 Ca -0.25 -1.80 0.04 0.00 1.00 0.00 0.00 64.86 63.85 1jvo h ILE 81 Cb 1.10 1.74 -0.15 0.00 -0.74 0.00 0.00 36.82 38.77 1jvo h ILE 81 CO 0.90 0.57 0.35 0.00 0.00 0.00 0.00 178.15 179.96 1jvo s ALA 82 N -4.02 -1.73 -0.17 1.87 0.00 -1.24 -5.01 121.76 111.47 1jvo s ALA 82 Ca -0.08 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1jvo s ALA 82 Cb 0.11 0.50 0.14 0.00 0.00 0.00 0.00 23.12 23.87 1jvo s ALA 82 CO 0.86 -0.67 1.08 -3.38 0.00 0.00 0.00 175.76 173.65 1jvo s HIS 83 N -3.06 -0.27 0.22 0.00 -3.43 -1.26 -1.53 115.29 105.97 1jvo s HIS 83 Ca 0.01 0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.70 1jvo s HIS 83 Cb -0.01 0.48 0.04 0.00 -1.43 0.00 0.00 32.58 31.66 1jvo s HIS 83 CO -0.08 -0.29 0.31 0.25 -2.00 0.00 0.00 174.74 172.93 1jvo n THR 84 N 0.47 0.00 -2.74 -5.38 -2.24 -0.67 -4.82 114.28 98.90 1jvo n THR 84 Ca -0.07 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.84 1jvo n THR 84 Cb 0.59 -0.92 0.05 0.00 -2.10 0.00 0.00 70.33 67.94 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 -3.05 2.37 -0.22 -0.78 1.02 -1.26 -4.60 119.74 113.22 1jvo s LYS 85 Ca 0.22 -1.04 -0.28 0.00 0.02 0.00 0.00 55.97 54.89 1jvo s LYS 85 Cb -0.02 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1jvo s LYS 85 CO 0.14 -0.82 1.01 -1.17 -0.92 0.00 0.00 175.35 173.59 1jvo s LEU 86 N -4.76 4.12 -0.01 3.17 2.96 -1.26 -4.40 118.68 118.50 1jvo s LEU 86 Ca 0.59 1.35 0.06 0.00 -0.22 0.00 0.00 54.13 55.92 1jvo s LEU 86 Cb -0.09 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 1jvo s LEU 86 CO 0.39 -0.62 -0.18 0.27 -1.32 0.00 0.00 176.35 174.88 1jvo s ILE 87 N 3.00 2.73 0.00 6.68 -4.36 0.14 -4.90 121.20 124.49 1jvo s ILE 87 Ca 0.43 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 1jvo s ILE 87 Cb -0.15 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.47 1jvo s ILE 87 CO 0.08 0.48 0.00 0.61 0.24 0.00 0.00 174.94 176.35 1jvo n GLY 88 N 2.02 1.65 3.66 6.27 0.00 -1.26 -2.00 105.19 115.53 1jvo n GLY 88 Ca -0.16 -2.05 -0.44 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.83 2.34 0.00 1.61 2.88 -1.00 -2.28 113.62 115.35 1jvo n SER 89 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1jvo n SER 89 Cb 0.00 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 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 1.36 1.51 2.11 0.46 0.00 0.69 -4.97 105.19 106.35 1jvo n GLY 90 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.77 -1.21 -3.50 1.61 1.02 -0.96 -4.85 120.64 110.96 1jvo n GLU 91 Ca 0.00 -1.10 -0.12 0.00 -0.02 0.00 0.00 57.16 55.92 1jvo n GLU 91 Cb 0.00 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 -4.56 0.92 -0.04 3.49 2.47 -1.26 -3.10 119.74 117.65 1jvo s LYS 92 Ca 0.42 -0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.41 1jvo s LYS 92 Cb -0.02 0.43 0.10 0.00 -1.46 0.00 0.00 37.83 36.88 1jvo s LYS 92 CO 0.30 -0.36 0.86 0.34 0.16 0.00 0.00 175.35 176.65 1jvo s ASP 93 N -1.99 -0.44 0.04 1.43 2.15 -0.71 -5.03 116.67 112.13 1jvo s ASP 93 Ca -0.00 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.22 1jvo s ASP 93 Cb -0.01 0.41 -0.03 0.00 -0.30 0.00 0.00 42.92 43.00 1jvo s ASP 93 CO -0.04 -0.58 -0.07 -0.44 -0.17 0.00 0.00 175.17 173.88 1jvo s SER 94 N -1.90 0.77 0.00 -0.34 0.01 -1.26 -0.61 113.70 110.36 1jvo s SER 94 Ca 0.00 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1jvo s SER 94 Cb -0.01 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 1jvo s SER 94 CO -0.03 -0.26 -0.03 0.54 0.41 0.00 0.00 173.24 173.86 1jvo s VAL 95 N -1.73 0.22 -0.03 3.43 0.11 -0.55 -4.93 120.40 116.93 1jvo s VAL 95 Ca -0.08 -0.25 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1jvo s VAL 95 Cb -0.08 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1jvo s VAL 95 CO -0.01 -0.02 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.71 1jvo s THR 96 N -0.27 1.19 0.13 5.04 2.01 -1.26 -1.07 115.64 121.42 1jvo s THR 96 Ca -0.01 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1jvo s THR 96 Cb -0.02 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1jvo s THR 96 CO -0.00 0.35 -0.02 0.72 -0.69 0.00 0.00 174.62 174.98 1jvo s PHE 97 N -0.06 1.01 -0.20 4.92 -0.71 -0.46 -4.96 117.98 117.53 1jvo s PHE 97 Ca -0.00 -1.01 -0.29 0.00 -1.04 0.00 0.00 56.93 54.59 1jvo s PHE 97 Cb -0.09 -0.58 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1jvo s PHE 97 CO 0.01 -0.23 1.06 -0.51 -1.34 0.00 0.00 175.22 174.21 1jvo s ASP 98 N -3.10 7.10 0.42 1.98 1.11 -1.26 -0.46 116.67 122.46 1jvo s ASP 98 Ca 0.19 1.44 0.26 0.00 0.18 0.00 0.00 52.55 54.62 1jvo s ASP 98 Cb 0.06 -2.54 1.43 0.00 1.07 0.00 0.00 42.92 42.94 1jvo s ASP 98 CO -0.00 -0.65 1.79 0.58 1.18 0.00 0.00 175.17 178.07 1jvo h VAL 99 N 5.40 0.00 -0.19 -1.27 2.07 -1.26 -0.40 116.25 120.60 1jvo h VAL 99 Ca -0.22 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1jvo h VAL 99 Cb 1.08 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1jvo h VAL 99 CO 0.96 0.00 -0.32 0.77 0.02 0.00 0.00 177.57 178.99 1jvo h SER 100 N 0.00 0.39 0.00 0.57 4.64 -1.88 -2.62 113.55 114.65 1jvo h SER 100 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1jvo h SER 100 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jvo h SER 100 CO 0.00 0.70 0.06 0.11 -0.87 0.00 0.00 176.83 176.83 1jvo h LYS 101 N 0.33 0.00 -5.98 4.77 1.57 -1.45 -3.40 116.57 112.41 1jvo h LYS 101 Ca 0.04 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.21 1jvo h LYS 101 Cb 0.74 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1jvo h LYS 101 CO 0.06 0.00 -0.25 -0.51 -0.57 0.00 0.00 179.45 178.17 1jvo s LEU 102 N -5.38 4.44 -0.22 2.94 1.43 -0.99 -5.07 118.68 115.83 1jvo s LEU 102 Ca -0.04 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1jvo s LEU 102 Cb 0.09 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.76 1jvo s LEU 102 CO 0.30 0.31 -0.14 -1.59 0.23 0.00 0.00 176.35 175.46 1jvo s LYS 103 N -1.26 2.43 0.32 1.70 -2.85 -1.26 -5.02 119.74 113.80 1jvo s LYS 103 Ca 0.24 -1.03 -0.25 0.00 -1.00 0.00 0.00 55.97 53.94 1jvo s LYS 103 Cb -0.15 -2.64 -0.15 0.00 -2.06 0.00 0.00 37.83 32.82 1jvo s LYS 103 CO 0.13 -0.41 0.51 -1.91 0.10 0.00 0.00 175.35 173.77 1jvo n GLU 104 N 4.57 0.36 0.00 1.78 2.13 -1.26 -2.63 120.64 125.59 1jvo n GLU 104 Ca -0.17 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1jvo n GLU 104 Cb 0.46 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.90 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 1.89 2.99 3.92 8.31 0.00 -1.26 -5.06 105.19 115.99 1jvo n GLY 105 Ca 0.13 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 3.23 -0.20 1.61 2.12 -1.08 -5.07 118.70 119.31 1jvo s GLU 106 Ca 0.00 0.02 -0.17 0.00 0.36 0.00 0.00 54.97 55.18 1jvo s GLU 106 Cb 0.00 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1jvo s GLU 106 CO 0.00 -0.41 0.45 -0.65 -0.54 0.00 0.00 175.26 174.11 1jvo s GLN 107 N -4.82 4.18 -0.05 4.30 -0.21 -1.26 -4.88 119.66 116.93 1jvo s GLN 107 Ca 0.50 0.29 0.06 0.00 0.02 0.00 0.00 55.36 56.23 1jvo s GLN 107 Cb -0.10 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.34 1jvo s GLN 107 CO 0.44 -0.09 -0.22 0.71 -2.12 0.00 0.00 175.29 174.01 1jvo s TYR 108 N 1.46 2.50 0.05 0.91 2.02 -1.24 -1.15 117.35 121.90 1jvo s TYR 108 Ca 0.21 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 1jvo s TYR 108 Cb -0.15 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1jvo s TYR 108 CO 0.09 -0.05 -0.24 -1.64 -1.57 0.00 0.00 175.55 172.14 1jvo s MET 109 N -0.42 1.59 0.04 -0.62 -1.94 0.02 -0.70 119.30 117.27 1jvo s MET 109 Ca 0.04 -1.04 0.07 0.00 -1.71 0.00 0.00 55.69 53.05 1jvo s MET 109 Cb -0.12 -1.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.95 1jvo s MET 109 CO 0.01 0.45 -0.19 -0.59 -0.01 0.00 0.00 175.02 174.70 1jvo s PHE 110 N -0.81 1.65 0.25 -0.03 -0.12 0.54 -1.80 117.98 117.65 1jvo s PHE 110 Ca 0.10 -0.36 -0.14 0.00 -0.05 0.00 0.00 56.93 56.47 1jvo s PHE 110 Cb -0.09 -0.99 0.05 0.00 -0.63 0.00 0.00 43.02 41.36 1jvo s PHE 110 CO 0.02 0.07 0.73 1.97 -0.05 0.00 0.00 175.22 177.96 1jvo n PHE 111 N 1.92 -1.73 -4.61 3.49 -1.74 -0.44 0.17 117.46 114.52 1jvo n PHE 111 Ca -0.17 -1.31 -0.33 0.00 -0.56 0.00 0.00 57.45 55.08 1jvo n PHE 111 Cb 0.54 0.65 -0.13 0.00 1.52 0.00 0.00 39.48 42.05 1jvo n PHE 111 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1jvo n THR 113 N 3.32 0.38 -2.02 0.00 -2.24 -1.26 -3.65 114.28 108.80 1jvo n THR 113 Ca -0.18 -0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1jvo n THR 113 Cb 0.53 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.62 3.05 -0.45 4.78 2.19 -1.26 -4.48 117.98 120.19 1jvo s PHE 114 Ca 0.32 0.98 -0.42 0.00 0.33 0.00 0.00 56.93 58.15 1jvo s PHE 114 Cb 0.17 -3.82 -0.18 0.00 -1.31 0.00 0.00 43.02 37.89 1jvo s PHE 114 CO 0.25 -2.71 1.53 -2.30 1.83 0.00 0.00 175.22 173.82 1jvo n PRO 115 N 2.63 0.00 -0.14 10.12 -0.02 -1.26 -1.23 135.00 145.10 1jvo n PRO 115 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1jvo n PRO 115 Cb 0.40 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 4.17 2.49 0.12 -1.23 0.00 -1.26 -4.89 105.19 104.60 1jvo n GLY 116 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 1.61 3.86 -1.45 -3.29 115.15 115.89 1jvo h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jvo h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jvo h HIS 117 CO 0.00 0.64 0.00 -1.13 0.86 0.00 0.00 177.93 178.30 1jvo n SER 118 N -3.30 0.00 -0.06 2.45 3.41 -1.24 0.17 113.62 115.05 1jvo n SER 118 Ca 0.01 0.35 -0.07 0.00 -0.26 0.00 0.00 58.87 58.90 1jvo n SER 118 Cb 0.78 -0.38 0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1jvo n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvo h ALA 119 N 2.20 0.89 0.00 7.33 0.00 -1.93 -3.36 119.26 124.39 1jvo h ALA 119 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1jvo h ALA 119 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jvo h ALA 119 CO 0.00 0.63 -1.30 1.28 0.00 0.00 0.00 179.25 179.85 1jvo n LEU 120 N -4.09 0.46 -4.42 0.00 4.77 -0.66 -4.91 117.00 108.15 1jvo n LEU 120 Ca -0.00 -0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 1jvo n LEU 120 Cb 0.45 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1jvo n LEU 120 CO 0.44 0.18 0.99 -0.04 -1.33 0.00 0.00 177.39 177.64 1jvo s MET 121 N -2.11 3.82 -0.10 3.23 -1.94 0.13 -4.76 119.30 117.57 1jvo s MET 121 Ca -0.03 -2.31 -0.30 0.00 -1.71 0.00 0.00 55.69 51.34 1jvo s MET 121 Cb 0.01 -4.84 0.10 0.00 2.01 0.00 0.00 34.83 32.12 1jvo s MET 121 CO 0.17 -1.63 0.84 -1.59 -0.01 0.00 0.00 175.02 172.81 1jvo s LYS 122 N 1.44 0.82 0.34 2.03 0.00 -1.26 -2.42 119.74 120.68 1jvo s LYS 122 Ca 0.33 0.19 -0.13 0.00 0.00 0.00 0.00 55.97 56.35 1jvo s LYS 122 Cb -0.06 0.39 0.03 0.00 0.00 0.00 0.00 37.83 38.19 1jvo s LYS 122 CO -0.06 -0.26 0.66 0.20 0.00 0.00 0.00 175.35 175.89 1jvo s GLY 123 N -1.18 0.55 -0.04 0.59 0.00 0.13 -4.83 107.32 102.54 1jvo s GLY 123 Ca -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 1jvo s GLY 123 CO 0.05 -0.47 0.08 -0.51 0.00 0.00 0.00 173.10 172.25 1jvo s THR 124 N -3.04 4.80 -0.18 0.90 -4.23 0.14 -0.34 115.64 113.69 1jvo s THR 124 Ca 0.19 -0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1jvo s THR 124 Cb -0.04 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.67 1jvo s THR 124 CO 0.12 0.46 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.29 1jvo s LEU 125 N -1.42 2.43 0.05 4.79 0.20 0.12 -0.83 118.68 124.03 1jvo s LEU 125 Ca 0.19 -0.52 0.06 0.00 0.69 0.00 0.00 54.13 54.55 1jvo s LEU 125 Cb -0.12 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 1jvo s LEU 125 CO 0.10 0.03 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.16 1jvo s THR 126 N 1.14 3.14 -0.63 3.68 2.01 0.45 -3.59 115.64 121.83 1jvo s THR 126 Ca 0.01 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 60.82 1jvo s THR 126 Cb -0.14 -2.37 0.16 0.00 0.01 0.00 0.00 72.50 70.16 1jvo s THR 126 CO -0.06 0.29 0.50 -0.22 -0.69 0.00 0.00 174.62 174.45 1jvo s LEU 127 N -1.63 5.83 0.00 4.42 1.98 -1.26 -0.16 118.68 127.86 1jvo s LEU 127 Ca 0.17 -2.49 0.18 0.00 -2.89 0.00 0.00 54.13 49.10 1jvo s LEU 127 Cb -0.11 -2.01 0.14 0.00 0.66 0.00 0.00 46.19 44.87 1jvo s LEU 127 CO 0.08 -0.54 1.06 2.29 -1.89 0.00 0.00 176.35 177.35