#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvl s GLU 2 N 0.00 3.23 -0.26 0.00 2.02 -1.26 -4.94 118.70 117.49 1jvl s GLU 2 Ca 0.00 1.59 0.15 0.00 0.02 0.00 0.00 54.97 56.73 1jvl s GLU 2 Cb 0.00 -1.99 0.48 0.00 0.10 0.00 0.00 34.13 32.72 1jvl s GLU 2 CO 0.00 -0.94 1.16 0.00 0.02 0.00 0.00 175.26 175.49 1jvl s SER 4 N -3.62 -0.14 -0.14 0.00 1.04 -1.26 -0.98 113.70 108.61 1jvl s SER 4 Ca 0.40 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 1jvl s SER 4 Cb 0.37 0.51 0.04 0.00 0.10 0.00 0.00 66.02 67.04 1jvl s SER 4 CO -0.01 -0.96 0.42 0.54 0.98 0.00 0.00 173.24 174.22 1jvl s VAL 5 N -3.90 0.01 -0.19 5.02 0.11 -0.42 -4.94 120.40 116.09 1jvl s VAL 5 Ca 0.11 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1jvl s VAL 5 Cb 0.01 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1jvl s VAL 5 CO -0.03 -0.03 0.08 -1.81 -3.33 0.00 0.00 175.10 169.98 1jvl s ASP 6 N -0.02 5.81 0.02 3.54 1.01 -1.26 -1.01 116.67 124.76 1jvl s ASP 6 Ca -0.02 0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.42 1jvl s ASP 6 Cb -0.03 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1jvl s ASP 6 CO 0.01 0.18 -0.15 -0.63 0.21 0.00 0.00 175.17 174.79 1jvl s ILE 7 N 0.37 1.20 0.03 0.77 1.01 0.80 -4.95 121.20 120.43 1jvl s ILE 7 Ca 0.05 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1jvl s ILE 7 Cb -0.12 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1jvl s ILE 7 CO -0.01 0.16 -0.24 -1.10 0.00 0.00 0.00 174.94 173.76 1jvl s GLN 8 N -0.82 1.69 -0.13 2.79 -0.21 -1.26 -1.58 119.66 120.14 1jvl s GLN 8 Ca 0.04 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.45 1jvl s GLN 8 Cb -0.07 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 32.16 1jvl s GLN 8 CO 0.01 0.47 -0.18 0.20 -2.12 0.00 0.00 175.29 173.67 1jvl s GLY 9 N -1.06 1.18 0.09 3.09 0.00 -0.68 -2.25 107.32 107.70 1jvl s GLY 9 Ca 0.10 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.92 1jvl s GLY 9 CO 0.01 0.19 0.07 1.16 0.00 0.00 0.00 173.10 174.53 1jvl n ASN 10 N 4.27 1.33 0.25 1.64 0.23 -1.04 -3.75 115.26 118.19 1jvl n ASN 10 Ca -0.19 -1.32 0.15 0.00 -0.53 0.00 0.00 54.58 52.69 1jvl n ASN 10 Cb 0.51 -0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.74 1jvl n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jvl h ASP 11 N 0.12 0.00 -0.11 0.53 3.32 -1.91 -2.67 116.42 115.70 1jvl h ASP 11 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1jvl h ASP 11 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1jvl h ASP 11 CO 0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1jvl n GLN 12 N -3.00 1.44 -3.57 3.56 3.00 -1.26 -4.89 117.38 112.66 1jvl n GLN 12 Ca 0.02 -0.47 -0.20 0.00 -0.01 0.00 0.00 57.00 56.33 1jvl n GLN 12 Cb 0.36 -1.33 0.05 0.00 0.00 0.00 0.00 30.24 29.32 1jvl n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1jvl n MET 13 N -0.04 -4.73 -3.79 -1.09 1.56 -1.00 -5.01 117.12 103.02 1jvl n MET 13 Ca 0.04 0.70 -0.12 0.00 -0.27 0.00 0.00 57.70 58.05 1jvl n MET 13 Cb 0.24 -5.35 -0.09 0.00 2.15 0.00 0.00 33.22 30.17 1jvl n MET 13 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 1jvl s GLN 14 N -5.62 0.66 0.25 2.12 -2.07 -1.26 -4.44 119.66 109.30 1jvl s GLN 14 Ca 0.10 -0.35 -0.07 0.00 -1.82 0.00 0.00 55.36 53.22 1jvl s GLN 14 Cb -0.02 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1jvl s GLN 14 CO 0.79 -0.19 0.54 -0.06 -1.32 0.00 0.00 175.29 175.04 1jvl s PHE 15 N -1.72 3.45 -0.65 9.60 0.08 -1.26 -2.49 117.98 124.98 1jvl s PHE 15 Ca -0.11 0.75 0.05 0.00 0.12 0.00 0.00 56.93 57.73 1jvl s PHE 15 Cb -0.04 -2.17 0.32 0.00 -0.57 0.00 0.00 43.02 40.55 1jvl s PHE 15 CO 0.01 0.24 1.03 0.27 -0.10 0.00 0.00 175.22 176.67 1jvl n ASN 16 N -0.46 2.90 -3.58 1.36 6.94 -0.95 -4.80 115.26 116.67 1jvl n ASN 16 Ca -0.01 -2.39 -0.12 0.00 -0.02 0.00 0.00 54.58 52.04 1jvl n ASN 16 Cb 0.53 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 37.31 1jvl n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1jvl s THR 17 N -1.65 0.00 0.00 5.53 -1.32 -1.26 -4.98 115.64 111.96 1jvl s THR 17 Ca 0.21 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1jvl s THR 17 Cb 0.17 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1jvl s THR 17 CO 0.06 0.00 0.87 -0.46 -2.21 0.00 0.00 174.62 172.88 1jvl n ASN 18 N 1.07 1.71 -3.71 8.08 2.04 -1.26 -4.86 115.26 118.32 1jvl n ASN 18 Ca -0.12 -1.75 -0.12 0.00 -0.44 0.00 0.00 54.58 52.15 1jvl n ASN 18 Cb 0.57 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.72 1jvl n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jvl s ALA 19 N -0.75 -1.05 -0.05 -2.53 0.00 -1.26 -1.86 121.76 114.26 1jvl s ALA 19 Ca 0.00 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1jvl s ALA 19 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1jvl s ALA 19 CO 0.00 -0.24 -0.14 0.42 0.00 0.00 0.00 175.76 175.80 1jvl s ILE 20 N 0.89 1.24 -0.16 0.00 1.01 0.25 -4.96 121.20 119.46 1jvl s ILE 20 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1jvl s ILE 20 Cb -0.06 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1jvl s ILE 20 CO -0.07 0.37 -0.16 -0.89 0.00 0.00 0.00 174.94 174.18 1jvl s THR 21 N 0.23 2.50 -0.28 2.92 2.01 -1.26 -0.89 115.64 120.86 1jvl s THR 21 Ca -0.07 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.02 1jvl s THR 21 Cb -0.12 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1jvl s THR 21 CO 0.02 0.52 0.15 -0.69 -0.69 0.00 0.00 174.62 173.93 1jvl s VAL 22 N 0.98 4.82 0.07 3.82 1.01 0.99 -4.96 120.40 127.13 1jvl s VAL 22 Ca -0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1jvl s VAL 22 Cb -0.15 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1jvl s VAL 22 CO -0.03 0.21 1.32 -0.62 0.00 0.00 0.00 175.10 175.98 1jvl s ASP 23 N 1.68 6.93 0.24 3.32 -1.08 -1.26 -1.52 116.67 124.98 1jvl s ASP 23 Ca 0.06 2.17 0.15 0.00 -0.52 0.00 0.00 52.55 54.41 1jvl s ASP 23 Cb -0.16 -2.58 0.83 0.00 -1.46 0.00 0.00 42.92 39.55 1jvl s ASP 23 CO 0.07 -0.60 1.44 0.29 0.52 0.00 0.00 175.17 176.90 1jvl n LYS 24 N 4.20 0.10 0.02 4.34 5.02 0.14 -0.87 118.16 131.12 1jvl n LYS 24 Ca 0.11 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.12 1jvl n LYS 24 Cb 0.44 -1.88 0.48 0.00 -0.02 0.00 0.00 35.03 34.05 1jvl n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1jvl n SER 25 N -2.04 0.29 -4.76 4.39 3.41 -1.26 -4.82 113.62 108.84 1jvl n SER 25 Ca -0.01 0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 58.54 1jvl n SER 25 Cb 0.08 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 1jvl n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvl n LYS 27 N 1.32 0.67 -4.13 0.00 4.76 -1.26 -4.72 118.16 114.81 1jvl n LYS 27 Ca -0.00 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1jvl n LYS 27 Cb 0.45 -1.63 -0.11 0.00 -1.84 0.00 0.00 35.03 31.90 1jvl n LYS 27 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1jvl s GLN 28 N -2.54 0.73 -0.03 1.97 -2.07 -1.26 -1.84 119.66 114.62 1jvl s GLN 28 Ca -0.14 -1.06 0.02 0.00 -1.82 0.00 0.00 55.36 52.35 1jvl s GLN 28 Cb 0.07 -0.35 0.01 0.00 -1.09 0.00 0.00 33.01 31.65 1jvl s GLN 28 CO 0.78 0.04 -0.06 0.12 -1.32 0.00 0.00 175.29 174.85 1jvl s PHE 29 N -2.39 0.73 -0.08 9.60 5.36 -0.15 -4.84 117.98 126.21 1jvl s PHE 29 Ca 0.02 -0.18 0.02 0.00 -0.96 0.00 0.00 56.93 55.83 1jvl s PHE 29 Cb -0.03 -0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 42.06 1jvl s PHE 29 CO -0.01 -0.11 -0.16 0.99 -1.46 0.00 0.00 175.22 174.47 1jvl s THR 30 N 0.41 2.90 -0.19 0.12 2.01 -0.15 -1.33 115.64 119.40 1jvl s THR 30 Ca -0.05 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1jvl s THR 30 Cb -0.09 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1jvl s THR 30 CO 0.00 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 1jvl s VAL 31 N -0.21 2.34 -0.32 3.82 1.01 0.13 -1.30 120.40 125.88 1jvl s VAL 31 Ca -0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1jvl s VAL 31 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1jvl s VAL 31 CO 0.03 0.49 0.21 0.20 0.00 0.00 0.00 175.10 176.03 1jvl s ASN 32 N 1.32 5.94 -0.13 3.32 0.01 -0.18 -1.69 114.94 123.55 1jvl s ASN 32 Ca 0.05 -0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 51.85 1jvl s ASN 32 Cb -0.14 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1jvl s ASN 32 CO -0.11 -0.17 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.07 1jvl s LEU 33 N 1.71 3.41 0.09 0.60 2.96 0.13 -0.14 118.68 127.45 1jvl s LEU 33 Ca 0.06 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1jvl s LEU 33 Cb -0.17 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1jvl s LEU 33 CO 0.10 0.26 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.36 1jvl s SER 34 N -0.18 1.26 -0.42 3.68 1.04 -0.61 -0.45 113.70 118.02 1jvl s SER 34 Ca 0.04 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1jvl s SER 34 Cb -0.13 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.15 1jvl s SER 34 CO 0.02 -0.32 0.16 -2.28 0.98 0.00 0.00 173.24 171.81 1jvl s HIS 35 N -2.67 3.02 -1.29 5.02 2.46 -0.69 -1.68 115.29 119.45 1jvl s HIS 35 Ca 0.05 -2.83 0.01 0.00 0.47 0.00 0.00 55.06 52.76 1jvl s HIS 35 Cb -0.01 -2.58 0.03 0.00 -0.13 0.00 0.00 32.58 29.89 1jvl s HIS 35 CO -0.01 -0.84 0.70 -0.35 -2.47 0.00 0.00 174.74 171.77 1jvl n PRO 36 N 3.78 1.12 -0.50 2.88 -0.04 -1.25 -1.07 135.00 139.92 1jvl n PRO 36 Ca 0.04 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1jvl n PRO 36 Cb 0.37 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1jvl n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvl n GLY 37 N 0.19 0.45 0.00 0.55 0.00 -1.26 -4.91 105.19 100.20 1jvl n GLY 37 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1jvl n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jvl n ASN 38 N -2.92 0.17 -4.81 1.61 4.13 -1.26 -3.99 115.26 108.20 1jvl n ASN 38 Ca 0.00 -0.59 -0.36 0.00 1.68 0.00 0.00 54.58 55.32 1jvl n ASN 38 Cb 0.00 0.85 -0.06 0.00 -1.54 0.00 0.00 39.78 39.02 1jvl n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jvl s LEU 39 N -1.71 4.28 0.83 3.41 1.43 -1.26 -4.84 118.68 120.82 1jvl s LEU 39 Ca 0.00 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1jvl s LEU 39 Cb 0.00 -3.81 0.09 0.00 0.03 0.00 0.00 46.19 42.50 1jvl s LEU 39 CO 0.01 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.48 1jvl s PRO 40 N -2.20 1.81 0.31 1.29 0.04 -1.26 -1.82 135.00 133.18 1jvl s PRO 40 Ca 0.47 0.81 0.03 0.00 0.04 0.00 0.00 61.00 62.35 1jvl s PRO 40 Cb -0.16 -1.87 0.61 0.00 0.04 0.00 0.00 34.50 33.12 1jvl s PRO 40 CO 0.21 -1.85 1.89 -0.22 0.04 0.00 0.00 177.00 177.06 1jvl h LYS 41 N -1.27 0.91 0.00 4.56 3.64 -1.85 0.11 116.57 122.67 1jvl h LYS 41 Ca -0.47 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1jvl h LYS 41 Cb 1.27 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1jvl h LYS 41 CO 0.56 0.60 -0.03 0.00 -2.27 0.00 0.00 179.45 178.31 1jvl n VAL 43 N -3.19 0.61 -2.66 0.00 0.31 -0.84 -4.83 118.33 107.74 1jvl n VAL 43 Ca -0.01 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 63.98 1jvl n VAL 43 Cb 0.22 -0.86 0.04 0.00 -0.91 0.00 0.00 33.84 32.33 1jvl n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1jvl n MET 44 N -2.71 1.85 -2.58 5.55 0.00 0.32 -5.02 117.12 114.52 1jvl n MET 44 Ca -0.18 -3.56 -0.36 0.00 -0.00 0.00 0.00 57.70 53.60 1jvl n MET 44 Cb 0.72 -1.59 -0.04 0.00 0.00 0.00 0.00 33.22 32.30 1jvl n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jvl s GLY 45 N -3.51 2.66 0.02 -5.12 0.00 -0.52 -4.75 107.32 96.11 1jvl s GLY 45 Ca 0.31 0.64 0.03 0.00 0.00 0.00 0.00 44.72 45.70 1jvl s GLY 45 CO -0.01 1.04 -0.09 0.30 0.00 0.00 0.00 173.10 174.34 1jvl s HIS 46 N -1.77 0.77 0.19 1.90 3.76 -0.48 -4.66 115.29 115.01 1jvl s HIS 46 Ca 0.60 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1jvl s HIS 46 Cb -0.19 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 1jvl s HIS 46 CO 0.24 -0.02 0.03 0.54 -0.85 0.00 0.00 174.74 174.69 1jvl s ASN 47 N -0.91 1.07 -0.20 1.40 2.20 -1.26 -0.81 114.94 116.43 1jvl s ASN 47 Ca -0.02 -1.23 0.01 0.00 -0.94 0.00 0.00 52.86 50.67 1jvl s ASN 47 Cb -0.06 0.16 0.02 0.00 -2.00 0.00 0.00 41.25 39.37 1jvl s ASN 47 CO 0.00 -0.63 -0.16 0.86 -2.94 0.00 0.00 177.10 174.23 1jvl s TRP 48 N -3.74 2.88 -0.04 1.54 -0.00 -1.26 -3.95 118.94 114.37 1jvl s TRP 48 Ca 0.28 -1.65 0.04 0.00 -0.00 0.00 0.00 56.10 54.77 1jvl s TRP 48 Cb 0.07 -1.95 -0.00 0.00 -0.00 0.00 0.00 33.47 31.58 1jvl s TRP 48 CO 0.06 -0.79 -0.17 0.08 -0.00 0.00 0.00 176.95 176.14 1jvl s VAL 49 N 1.29 1.40 -0.11 5.86 1.01 0.01 -1.59 120.40 128.27 1jvl s VAL 49 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1jvl s VAL 49 Cb -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1jvl s VAL 49 CO -0.10 0.40 -0.16 -0.22 0.00 0.00 0.00 175.10 175.02 1jvl s LEU 50 N 0.03 2.57 0.34 3.92 2.96 -0.11 -0.87 118.68 127.51 1jvl s LEU 50 Ca -0.03 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1jvl s LEU 50 Cb -0.11 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1jvl s LEU 50 CO 0.02 0.19 0.59 -0.94 -1.32 0.00 0.00 176.35 174.89 1jvl s SER 51 N 0.17 0.38 0.68 3.68 1.04 -0.79 -0.31 113.70 118.55 1jvl s SER 51 Ca -0.09 -1.23 -0.11 0.00 0.48 0.00 0.00 55.95 55.00 1jvl s SER 51 Cb -0.15 0.71 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1jvl s SER 51 CO 0.05 -1.40 1.06 0.42 0.98 0.00 0.00 173.24 174.35 1jvl s THR 52 N -3.03 4.12 0.26 2.02 -4.23 -1.26 -1.18 115.64 112.34 1jvl s THR 52 Ca 0.23 0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1jvl s THR 52 Cb -0.02 -3.47 0.27 0.00 1.34 0.00 0.00 72.50 70.62 1jvl s THR 52 CO 0.15 -0.89 1.89 0.00 -0.54 0.00 0.00 174.62 175.22 1jvl h ALA 53 N -0.63 1.38 -0.26 3.99 0.00 -1.39 -2.04 119.26 120.31 1jvl h ALA 53 Ca -0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1jvl h ALA 53 Cb 1.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1jvl h ALA 53 CO 0.58 0.48 -0.08 0.00 0.00 0.00 0.00 179.25 180.23 1jvl h ALA 54 N 1.44 1.39 0.00 0.00 0.00 -1.92 -3.00 119.26 117.17 1jvl h ALA 54 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jvl h ALA 54 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jvl h ALA 54 CO -0.16 0.42 -0.48 -0.44 0.00 0.00 0.00 179.25 178.59 1jvl h ASP 55 N 0.39 0.00 -0.46 0.00 3.32 -1.76 -3.40 116.42 114.51 1jvl h ASP 55 Ca 0.08 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.16 1jvl h ASP 55 Cb 0.38 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.84 1jvl h ASP 55 CO 0.02 0.02 -0.51 -0.03 -1.72 0.00 0.00 179.24 177.02 1jvl h MET 56 N 0.00 -0.32 -0.67 3.56 1.85 -1.25 -1.51 114.93 116.59 1jvl h MET 56 Ca 0.00 0.02 0.12 0.00 -0.61 0.00 0.00 59.70 59.23 1jvl h MET 56 Cb 0.93 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.95 1jvl h MET 56 CO 0.00 -0.22 0.24 0.37 -0.40 0.00 0.00 176.91 176.90 1jvl h GLN 57 N -0.34 0.38 -0.64 0.39 5.75 -1.78 0.27 115.11 119.15 1jvl h GLN 57 Ca 0.11 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1jvl h GLN 57 Cb 0.58 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1jvl h GLN 57 CO -0.62 0.25 0.33 0.78 -2.65 0.00 0.00 178.83 176.92 1jvl h GLY 58 N 0.40 0.97 1.00 2.39 0.00 -1.66 -0.45 103.07 105.71 1jvl h GLY 58 Ca 0.35 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1jvl h GLY 58 CO -0.36 0.44 0.15 -2.08 0.00 0.00 0.00 176.54 174.68 1jvl h VAL 59 N 0.88 1.24 -0.56 4.60 2.07 -0.29 -1.76 116.25 122.43 1jvl h VAL 59 Ca 0.22 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1jvl h VAL 59 Cb 0.07 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1jvl h VAL 59 CO -0.03 0.32 0.05 0.58 0.02 0.00 0.00 177.57 178.50 1jvl h VAL 60 N 0.80 1.26 -0.03 2.57 2.07 -0.70 -0.51 116.25 121.70 1jvl h VAL 60 Ca 0.18 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1jvl h VAL 60 Cb 0.32 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1jvl h VAL 60 CO -0.00 0.38 -0.00 0.74 0.02 0.00 0.00 177.57 178.70 1jvl h THR 61 N 0.85 1.26 0.00 2.57 2.02 -0.95 -1.40 112.91 117.26 1jvl h THR 61 Ca 0.16 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1jvl h THR 61 Cb 0.48 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1jvl h THR 61 CO 0.02 0.21 -0.45 0.44 0.37 0.00 0.00 175.52 176.11 1jvl h ASP 62 N -0.27 0.00 -0.13 4.18 3.32 -1.36 -2.95 116.42 119.21 1jvl h ASP 62 Ca 0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1jvl h ASP 62 Cb 0.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1jvl h ASP 62 CO 0.00 0.45 -0.04 1.23 -1.72 0.00 0.00 179.24 179.17 1jvl h GLY 63 N 1.58 0.29 0.29 2.75 0.00 -0.98 -2.33 103.07 104.66 1jvl h GLY 63 Ca -0.00 -0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.19 1jvl h GLY 63 CO 0.06 0.22 0.20 1.98 0.00 0.00 0.00 176.54 179.00 1jvl h MET 64 N -0.05 0.35 0.00 4.80 1.85 -1.17 -0.76 114.93 119.94 1jvl h MET 64 Ca 0.03 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1jvl h MET 64 Cb 0.47 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.42 1jvl h MET 64 CO 0.01 0.23 0.00 0.00 -0.40 0.00 0.00 176.91 176.75 1jvl h ALA 65 N 1.45 1.00 0.00 0.39 0.00 -1.44 -3.17 119.26 117.49 1jvl h ALA 65 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1jvl h ALA 65 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jvl h ALA 65 CO -0.35 0.00 -0.25 0.77 0.00 0.00 0.00 179.25 179.42 1jvl h SER 66 N 0.00 0.00 -4.42 0.00 0.02 -0.56 -3.50 113.55 105.09 1jvl h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvl h SER 66 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1jvl h SER 66 CO 0.00 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 1jvl n GLY 67 N 0.49 -0.56 0.35 -3.77 0.00 -1.20 -4.40 105.19 96.10 1jvl n GLY 67 Ca 0.01 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.39 1jvl n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jvl h LEU 68 N 0.00 0.77 -1.41 0.99 5.85 -1.92 -1.47 115.31 118.11 1jvl h LEU 68 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jvl h LEU 68 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1jvl h LEU 68 CO 0.00 0.52 0.00 -2.24 -0.34 0.00 0.00 178.44 176.38 1jvl h ASP 69 N 0.89 0.00 -0.38 1.25 2.03 -2.02 -1.55 116.42 116.64 1jvl h ASP 69 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1jvl h ASP 69 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1jvl h ASP 69 CO -0.09 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.41 1jvl n LYS 70 N -2.57 3.06 -2.07 4.15 4.76 -0.85 -4.94 118.16 119.69 1jvl n LYS 70 Ca 0.00 -2.48 -0.20 0.00 -2.87 0.00 0.00 58.31 52.76 1jvl n LYS 70 Cb 0.18 -1.58 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 1jvl n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jvl n ASP 71 N 0.32 -5.68 -3.65 4.39 9.92 -0.58 -2.50 116.55 118.76 1jvl n ASP 71 Ca 0.18 0.19 -0.23 0.00 -0.53 0.00 0.00 54.79 54.40 1jvl n ASP 71 Cb 0.67 -4.81 0.06 0.00 -0.64 0.00 0.00 41.12 36.40 1jvl n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1jvl n TYR 72 N -3.37 -2.36 -3.77 1.24 4.01 -0.61 -4.76 117.16 107.53 1jvl n TYR 72 Ca -0.23 0.93 -0.15 0.00 -0.16 0.00 0.00 57.90 58.30 1jvl n TYR 72 Cb 0.68 -4.67 -0.16 0.00 -0.31 0.00 0.00 39.34 34.89 1jvl n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jvl s LEU 73 N -6.93 1.00 0.26 7.72 1.43 -1.04 -4.26 118.68 116.86 1jvl s LEU 73 Ca 0.33 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1jvl s LEU 73 Cb -0.15 0.05 -0.11 0.00 0.03 0.00 0.00 46.19 46.01 1jvl s LEU 73 CO 0.77 -0.13 1.54 -0.75 0.23 0.00 0.00 176.35 178.01 1jvl s LYS 74 N 1.07 4.19 0.55 1.70 2.20 -1.26 -4.87 119.74 123.32 1jvl s LYS 74 Ca -0.09 2.45 -0.21 0.00 -0.36 0.00 0.00 55.97 57.76 1jvl s LYS 74 Cb -0.12 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1jvl s LYS 74 CO -0.04 -0.55 1.31 -2.14 -0.36 0.00 0.00 175.35 173.57 1jvl s PRO 75 N -0.23 3.16 -1.48 4.03 0.02 -1.26 -3.08 135.00 136.15 1jvl s PRO 75 Ca 0.63 2.11 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 1jvl s PRO 75 Cb -0.45 -2.21 0.07 0.00 0.02 0.00 0.00 34.50 31.93 1jvl s PRO 75 CO 0.44 -1.14 0.95 -0.25 -0.33 0.00 0.00 177.00 176.67 1jvl n ASP 76 N -1.09 -4.32 -4.55 2.53 8.00 -1.26 -4.92 116.55 110.95 1jvl n ASP 76 Ca 0.11 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.41 1jvl n ASP 76 Cb 0.46 -4.00 -0.04 0.00 -0.02 0.00 0.00 41.12 37.53 1jvl n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jvl s ASP 77 N -3.49 6.41 0.00 -2.24 -1.08 -1.18 -4.88 116.67 110.21 1jvl s ASP 77 Ca 0.55 -0.12 0.18 0.00 -0.52 0.00 0.00 52.55 52.63 1jvl s ASP 77 Cb -0.27 -2.47 0.82 0.00 -1.46 0.00 0.00 42.92 39.54 1jvl s ASP 77 CO 0.82 -1.26 1.56 -1.54 0.52 0.00 0.00 175.17 175.28 1jvl n SER 78 N 7.66 0.00 0.22 -0.34 3.41 -1.26 -2.72 113.62 120.60 1jvl n SER 78 Ca 0.05 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 1jvl n SER 78 Cb 0.48 -0.42 0.22 0.00 -0.26 0.00 0.00 64.21 64.23 1jvl n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1jvl h ARG 79 N 0.00 0.00 -6.41 4.33 3.08 -1.97 -3.43 114.38 109.98 1jvl h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1jvl h ARG 79 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1jvl h ARG 79 CO 0.00 0.03 0.82 0.08 -1.07 0.00 0.00 179.97 179.83 1jvl s VAL 80 N -3.25 4.41 0.06 2.04 1.01 -1.10 -4.51 120.40 119.06 1jvl s VAL 80 Ca 0.06 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.29 1jvl s VAL 80 Cb 0.06 -4.47 -0.22 0.00 0.00 0.00 0.00 36.38 31.75 1jvl s VAL 80 CO 0.66 -0.70 1.18 0.40 0.00 0.00 0.00 175.10 176.64 1jvl h ILE 81 N 5.95 1.32 -2.98 2.22 2.04 -0.94 -3.48 117.51 121.64 1jvl h ILE 81 Ca -0.22 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.47 1jvl h ILE 81 Cb 1.06 2.37 -0.13 0.00 -0.74 0.00 0.00 36.82 39.38 1jvl h ILE 81 CO 1.06 0.65 0.15 0.00 0.00 0.00 0.00 178.15 180.01 1jvl s ALA 82 N -3.37 -1.47 -0.14 1.87 0.00 -1.22 -5.02 121.76 112.41 1jvl s ALA 82 Ca -0.11 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 1jvl s ALA 82 Cb 0.06 0.75 0.13 0.00 0.00 0.00 0.00 23.12 24.06 1jvl s ALA 82 CO 0.89 -0.70 1.04 -3.38 0.00 0.00 0.00 175.76 173.61 1jvl s HIS 83 N -3.48 -0.29 0.47 0.00 -3.43 -1.26 -0.94 115.29 106.37 1jvl s HIS 83 Ca -0.00 0.37 0.05 0.00 -0.80 0.00 0.00 55.06 54.68 1jvl s HIS 83 Cb -0.00 0.49 0.08 0.00 -1.43 0.00 0.00 32.58 31.72 1jvl s HIS 83 CO -0.10 -0.34 0.65 0.25 -2.00 0.00 0.00 174.74 173.20 1jvl n THR 84 N 0.31 0.00 -2.27 -5.38 -2.24 -0.62 -4.83 114.28 99.25 1jvl n THR 84 Ca -0.07 -1.39 -0.25 0.00 -2.27 0.00 0.00 64.05 60.07 1jvl n THR 84 Cb 0.59 -0.74 0.07 0.00 -2.10 0.00 0.00 70.33 68.14 1jvl n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jvl s LYS 85 N -4.13 2.22 -0.13 -0.78 1.02 -1.26 -4.65 119.74 112.04 1jvl s LYS 85 Ca 0.47 -0.35 -0.26 0.00 0.02 0.00 0.00 55.97 55.86 1jvl s LYS 85 Cb -0.03 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 1jvl s LYS 85 CO 0.30 -1.18 0.83 -1.17 -0.92 0.00 0.00 175.35 173.22 1jvl s LEU 86 N -5.18 4.23 0.22 3.17 2.96 -1.26 -4.44 118.68 118.37 1jvl s LEU 86 Ca 0.60 1.24 0.11 0.00 -0.22 0.00 0.00 54.13 55.86 1jvl s LEU 86 Cb -0.11 -3.25 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 1jvl s LEU 86 CO 0.44 -0.33 -0.22 0.27 -1.32 0.00 0.00 176.35 175.19 1jvl s ILE 87 N 1.76 2.31 0.11 6.68 -4.36 0.01 -4.89 121.20 122.82 1jvl s ILE 87 Ca 0.40 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1jvl s ILE 87 Cb -0.17 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1jvl s ILE 87 CO 0.15 -0.24 0.04 0.61 0.24 0.00 0.00 174.94 175.74 1jvl n GLY 88 N -0.02 3.55 3.53 6.27 0.00 -1.26 -1.38 105.19 115.88 1jvl n GLY 88 Ca -0.10 -2.22 -0.50 0.00 0.00 0.00 0.00 46.02 43.20 1jvl n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jvl n SER 89 N -1.50 0.61 0.00 1.61 2.88 -0.75 -1.73 113.62 114.74 1jvl n SER 89 Ca -0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1jvl n SER 89 Cb 0.13 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1jvl n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jvl n GLY 90 N 1.85 0.76 3.98 0.46 0.00 -0.24 -5.00 105.19 107.01 1jvl n GLY 90 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1jvl n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jvl s GLU 91 N -0.34 3.04 0.04 1.61 2.02 -0.70 -4.92 118.70 119.45 1jvl s GLU 91 Ca 0.00 -0.92 -0.13 0.00 0.02 0.00 0.00 54.97 53.94 1jvl s GLU 91 Cb 0.00 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.50 1jvl s GLU 91 CO 0.00 -0.09 0.28 -1.59 0.02 0.00 0.00 175.26 173.88 1jvl s LYS 92 N -4.31 0.78 -0.02 1.61 -2.85 -1.26 -1.70 119.74 111.99 1jvl s LYS 92 Ca 0.48 -0.54 -0.26 0.00 -1.00 0.00 0.00 55.97 54.65 1jvl s LYS 92 Cb -0.10 0.34 0.06 0.00 -2.06 0.00 0.00 37.83 36.07 1jvl s LYS 92 CO 0.33 -0.25 0.57 0.34 0.10 0.00 0.00 175.35 176.44 1jvl s ASP 93 N -2.08 -0.51 0.07 0.03 2.15 0.40 -5.00 116.67 111.73 1jvl s ASP 93 Ca -0.05 0.47 0.06 0.00 0.43 0.00 0.00 52.55 53.46 1jvl s ASP 93 Cb -0.01 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1jvl s ASP 93 CO -0.04 -0.60 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.77 1jvl s SER 94 N -1.38 1.91 -0.03 -0.34 0.01 -1.26 0.22 113.70 112.83 1jvl s SER 94 Ca -0.10 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1jvl s SER 94 Cb -0.01 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1jvl s SER 94 CO 0.06 0.00 -0.06 0.54 0.41 0.00 0.00 173.24 174.19 1jvl s VAL 95 N -1.09 0.59 -0.10 3.43 0.11 -0.68 -4.93 120.40 117.72 1jvl s VAL 95 Ca 0.02 -0.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1jvl s VAL 95 Cb -0.09 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1jvl s VAL 95 CO 0.02 0.21 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.89 1jvl s THR 96 N 0.47 1.93 0.12 5.04 2.01 -1.26 -0.69 115.64 123.27 1jvl s THR 96 Ca -0.06 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.04 1jvl s THR 96 Cb -0.10 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1jvl s THR 96 CO 0.00 0.53 -0.09 0.72 -0.69 0.00 0.00 174.62 175.09 1jvl s PHE 97 N 0.47 1.13 -0.06 4.92 -0.71 -0.44 -4.94 117.98 118.35 1jvl s PHE 97 Ca -0.16 -0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 54.66 1jvl s PHE 97 Cb -0.17 -0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 41.01 1jvl s PHE 97 CO 0.06 0.01 1.09 -0.51 -1.34 0.00 0.00 175.22 174.53 1jvl s ASP 98 N -2.96 7.17 0.57 1.98 1.01 -1.26 -0.98 116.67 122.21 1jvl s ASP 98 Ca 0.13 1.69 0.32 0.00 0.71 0.00 0.00 52.55 55.40 1jvl s ASP 98 Cb 0.02 -2.56 1.72 0.00 1.01 0.00 0.00 42.92 43.11 1jvl s ASP 98 CO -0.01 -0.48 2.17 0.58 0.21 0.00 0.00 175.17 177.64 1jvl h VAL 99 N 4.98 0.39 0.00 -1.27 2.07 -1.65 -1.82 116.25 118.95 1jvl h VAL 99 Ca -0.34 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jvl h VAL 99 Cb 1.17 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1jvl h VAL 99 CO 0.85 0.06 0.00 0.77 0.02 0.00 0.00 177.57 179.27 1jvl h SER 100 N 0.00 0.00 0.96 0.57 4.64 -1.89 0.80 113.55 118.63 1jvl h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jvl h SER 100 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1jvl h SER 100 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1jvl n LYS 101 N -2.39 0.12 -3.96 4.77 5.02 -0.68 -4.75 118.16 116.29 1jvl n LYS 101 Ca -0.01 0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 56.16 1jvl n LYS 101 Cb 0.10 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 1jvl n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jvl s LEU 102 N -3.75 4.22 0.03 -0.35 1.43 0.27 -5.11 118.68 115.42 1jvl s LEU 102 Ca 0.09 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1jvl s LEU 102 Cb 0.13 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 1jvl s LEU 102 CO 0.46 0.25 -0.23 -1.59 0.23 0.00 0.00 176.35 175.47 1jvl s LYS 103 N -2.00 1.64 0.50 1.70 -2.85 -1.26 -5.04 119.74 112.43 1jvl s LYS 103 Ca 0.27 -0.96 -0.22 0.00 -1.00 0.00 0.00 55.97 54.06 1jvl s LYS 103 Cb -0.12 -1.73 -0.06 0.00 -2.06 0.00 0.00 37.83 33.85 1jvl s LYS 103 CO 0.19 0.45 1.22 -1.21 0.10 0.00 0.00 175.35 176.10 1jvl s GLU 104 N -1.03 3.51 0.00 1.78 2.02 -1.26 -2.96 118.70 120.75 1jvl s GLU 104 Ca 0.09 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.98 1jvl s GLU 104 Cb -0.09 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1jvl s GLU 104 CO 0.01 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.91 1jvl n GLY 105 N 0.51 2.76 3.78 -1.39 0.00 -1.26 -5.01 105.19 104.58 1jvl n GLY 105 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1jvl n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jvl s GLU 106 N -0.05 3.74 -0.25 1.61 2.56 -1.16 -5.02 118.70 120.13 1jvl s GLU 106 Ca 0.00 1.53 -0.12 0.00 0.00 0.00 0.00 54.97 56.38 1jvl s GLU 106 Cb 0.00 -2.20 -0.05 0.00 2.00 0.00 0.00 34.13 33.88 1jvl s GLU 106 CO 0.00 -0.51 0.23 -0.65 -0.56 0.00 0.00 175.26 173.77 1jvl s GLN 107 N -3.02 4.04 0.09 4.30 -0.21 -1.26 -4.86 119.66 118.74 1jvl s GLN 107 Ca 0.66 -0.18 0.08 0.00 0.02 0.00 0.00 55.36 55.95 1jvl s GLN 107 Cb -0.21 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1jvl s GLN 107 CO 0.26 -0.08 -0.18 0.71 -2.12 0.00 0.00 175.29 173.88 1jvl s TYR 108 N 1.47 2.55 0.01 0.91 2.02 -1.24 -1.05 117.35 122.03 1jvl s TYR 108 Ca 0.10 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 1jvl s TYR 108 Cb -0.15 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1jvl s TYR 108 CO 0.08 0.35 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.65 1jvl s MET 109 N -1.93 0.88 0.08 -0.62 -1.94 -0.32 -1.67 119.30 113.77 1jvl s MET 109 Ca 0.17 -0.56 0.08 0.00 -1.71 0.00 0.00 55.69 53.68 1jvl s MET 109 Cb -0.11 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.84 1jvl s MET 109 CO 0.09 0.22 -0.19 -0.59 -0.01 0.00 0.00 175.02 174.54 1jvl s PHE 110 N -0.56 2.51 0.21 -0.03 -0.12 -0.46 -1.88 117.98 117.65 1jvl s PHE 110 Ca 0.02 -0.28 -0.23 0.00 -0.05 0.00 0.00 56.93 56.39 1jvl s PHE 110 Cb -0.06 -1.39 0.05 0.00 -0.63 0.00 0.00 43.02 40.99 1jvl s PHE 110 CO 0.00 0.30 0.87 -0.59 -0.05 0.00 0.00 175.22 175.75 1jvl s PHE 111 N -1.01 -0.13 -0.13 3.49 -0.71 -0.05 -1.19 117.98 118.24 1jvl s PHE 111 Ca 0.16 -0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1jvl s PHE 111 Cb -0.10 0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1jvl s PHE 111 CO 0.07 -1.02 0.06 0.00 -1.34 0.00 0.00 175.22 172.98 1jvl n THR 113 N 2.61 0.45 -1.96 0.00 -2.24 -1.26 -3.21 114.28 108.68 1jvl n THR 113 Ca -0.18 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 1jvl n THR 113 Cb 0.53 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 1jvl n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jvl s PHE 114 N -1.55 2.99 -0.35 4.78 2.19 -1.26 -4.34 117.98 120.43 1jvl s PHE 114 Ca 0.38 0.90 -0.33 0.00 0.33 0.00 0.00 56.93 58.20 1jvl s PHE 114 Cb 0.22 -3.88 -0.14 0.00 -1.31 0.00 0.00 43.02 37.90 1jvl s PHE 114 CO 0.31 -2.99 1.20 -2.30 1.83 0.00 0.00 175.22 173.27 1jvl n PRO 115 N 2.68 0.00 0.00 10.12 -0.02 -1.26 -1.23 135.00 145.29 1jvl n PRO 115 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1jvl n PRO 115 Cb 0.39 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1jvl n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jvl n GLY 116 N 3.25 3.01 0.27 -1.23 0.00 -1.26 -4.89 105.19 104.34 1jvl n GLY 116 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1jvl n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jvl h HIS 117 N 0.00 0.53 0.00 1.61 3.86 -1.44 -2.79 115.15 116.92 1jvl h HIS 117 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1jvl h HIS 117 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1jvl h HIS 117 CO 0.00 0.51 0.08 0.66 0.86 0.00 0.00 177.93 180.03 1jvl h SER 118 N 0.50 0.00 -0.74 2.45 4.64 -1.74 0.50 113.55 119.16 1jvl h SER 118 Ca 0.11 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1jvl h SER 118 Cb 0.29 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1jvl h SER 118 CO 0.01 0.00 0.49 0.00 -0.87 0.00 0.00 176.83 176.46 1jvl h ALA 119 N 1.82 1.49 0.00 5.18 0.00 -1.84 -3.33 119.26 122.59 1jvl h ALA 119 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1jvl h ALA 119 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jvl h ALA 119 CO 0.00 0.46 -1.20 1.28 0.00 0.00 0.00 179.25 179.79 1jvl n LEU 120 N -4.43 0.42 -4.45 0.00 4.77 -0.24 -4.88 117.00 108.20 1jvl n LEU 120 Ca 0.08 -0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.62 1jvl n LEU 120 Cb 0.05 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1jvl n LEU 120 CO 0.36 0.14 1.25 -0.04 -1.33 0.00 0.00 177.39 177.77 1jvl s MET 121 N -2.07 3.99 0.16 3.23 -1.94 0.16 -4.76 119.30 118.07 1jvl s MET 121 Ca -0.02 -2.47 -0.19 0.00 -1.71 0.00 0.00 55.69 51.31 1jvl s MET 121 Cb 0.01 -4.98 0.04 0.00 2.01 0.00 0.00 34.83 31.91 1jvl s MET 121 CO 0.12 -1.72 0.50 -1.59 -0.01 0.00 0.00 175.02 172.32 1jvl s LYS 122 N 1.55 1.24 0.13 2.03 -2.85 -1.26 -2.28 119.74 118.30 1jvl s LYS 122 Ca 0.39 -0.70 -0.25 0.00 -1.00 0.00 0.00 55.97 54.42 1jvl s LYS 122 Cb -0.04 0.52 0.08 0.00 -2.06 0.00 0.00 37.83 36.33 1jvl s LYS 122 CO -0.03 -0.52 1.08 0.20 0.10 0.00 0.00 175.35 176.18 1jvl s GLY 123 N -2.81 -0.09 0.10 0.59 0.00 -0.34 -4.76 107.32 100.02 1jvl s GLY 123 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.78 1jvl s GLY 123 CO -0.09 1.67 0.13 -0.51 0.00 0.00 0.00 173.10 174.30 1jvl s THR 124 N -2.52 4.75 -0.07 0.90 -4.23 -0.78 -1.36 115.64 112.33 1jvl s THR 124 Ca 0.19 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1jvl s THR 124 Cb -0.01 -3.34 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1jvl s THR 124 CO 0.03 0.05 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.85 1jvl s LEU 125 N -2.66 1.44 0.03 4.79 0.20 -0.67 -0.59 118.68 121.22 1jvl s LEU 125 Ca 0.31 -0.25 0.05 0.00 0.69 0.00 0.00 54.13 54.93 1jvl s LEU 125 Cb -0.12 -0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 44.89 1jvl s LEU 125 CO 0.24 -0.03 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.22 1jvl s THR 126 N 0.99 1.26 -0.51 3.68 2.01 -0.07 -3.59 115.64 119.41 1jvl s THR 126 Ca -0.09 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.79 1jvl s THR 126 Cb -0.15 -1.11 0.09 0.00 0.01 0.00 0.00 72.50 71.35 1jvl s THR 126 CO 0.00 0.13 0.48 -0.22 -0.69 0.00 0.00 174.62 174.32 1jvl s LEU 127 N -0.96 5.69 0.00 4.42 2.96 -1.26 -0.01 118.68 129.52 1jvl s LEU 127 Ca 0.04 -1.42 0.06 0.00 -0.22 0.00 0.00 54.13 52.59 1jvl s LEU 127 Cb -0.08 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.43 1jvl s LEU 127 CO 0.01 -0.78 0.70 2.29 -1.32 0.00 0.00 176.35 177.25