#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvj n MET 2 N 0.00 0.00 0.00 0.03 2.81 -1.26 -4.96 117.12 113.74 2jvj n MET 2 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jvj n MET 2 Cb 0.00 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 2jvj n MET 2 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2jvj n ASN 3 N -2.39 1.10 -4.70 7.83 0.23 -1.26 -5.04 115.26 111.03 2jvj n ASN 3 Ca 0.00 -0.02 -0.42 0.00 -0.53 0.00 0.00 54.58 53.61 2jvj n ASN 3 Cb 0.00 0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.92 2jvj n ASN 3 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2jvj s GLU 4 N -0.47 4.48 -0.15 -3.83 4.04 -1.26 -4.95 118.70 116.56 2jvj s GLU 4 Ca 0.00 1.33 -0.08 0.00 0.04 0.00 0.00 54.97 56.26 2jvj s GLU 4 Cb 0.00 -3.49 0.06 0.00 0.02 0.00 0.00 34.13 30.71 2jvj s GLU 4 CO 0.00 -0.15 0.36 -1.59 -1.84 0.00 0.00 175.26 172.04 2jvj s LYS 5 N 1.41 0.33 -0.01 -4.83 -2.85 -1.26 -1.06 119.74 111.46 2jvj s LYS 5 Ca 0.48 0.71 -0.07 0.00 -1.00 0.00 0.00 55.97 56.10 2jvj s LYS 5 Cb -0.19 -0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.53 2jvj s LYS 5 CO 0.23 -0.16 0.15 0.42 0.10 0.00 0.00 175.35 176.09 2jvj s ILE 6 N 1.38 0.07 0.02 3.79 1.01 -1.18 -0.73 121.20 125.55 2jvj s ILE 6 Ca -0.09 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.07 2jvj s ILE 6 Cb -0.09 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 2jvj s ILE 6 CO -0.12 -0.30 -0.16 -0.22 0.00 0.00 0.00 174.94 174.14 2jvj s LEU 7 N -1.09 2.68 -0.22 2.97 1.98 0.22 -1.13 118.68 124.09 2jvj s LEU 7 Ca -0.12 -0.35 0.01 0.00 -2.89 0.00 0.00 54.13 50.78 2jvj s LEU 7 Cb -0.06 -1.56 0.05 0.00 0.66 0.00 0.00 46.19 45.28 2jvj s LEU 7 CO 0.01 0.28 -0.07 -0.63 -1.89 0.00 0.00 176.35 174.06 2jvj s ILE 8 N -0.88 1.54 -0.40 6.68 1.09 0.16 0.15 121.20 129.54 2jvj s ILE 8 Ca 0.14 -1.13 -0.11 0.00 -1.10 0.00 0.00 60.65 58.46 2jvj s ILE 8 Cb -0.11 -1.75 0.05 0.00 -1.06 0.00 0.00 42.46 39.60 2jvj s ILE 8 CO 0.04 -0.01 0.24 -0.69 -0.10 0.00 0.00 174.94 174.42 2jvj s VAL 9 N 1.41 4.51 0.00 2.92 1.01 0.15 -0.04 120.40 130.36 2jvj s VAL 9 Ca -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.88 2jvj s VAL 9 Cb -0.18 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2jvj s VAL 9 CO -0.07 -0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.01 2jvj n ASP 10 N 4.99 0.00 -1.55 3.32 2.03 -0.44 -0.69 116.55 124.21 2jvj n ASP 10 Ca -0.11 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.16 2jvj n ASP 10 Cb 0.45 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.86 2jvj n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jvj n ASP 11 N 0.00 5.35 -4.74 1.67 2.03 -1.26 -4.53 116.55 115.07 2jvj n ASP 11 Ca 0.00 -2.53 -0.41 0.00 0.52 0.00 0.00 54.79 52.37 2jvj n ASP 11 Cb 0.00 -1.05 -0.05 0.00 -0.72 0.00 0.00 41.12 39.31 2jvj n ASP 11 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jvj s GLN 12 N -0.46 4.69 0.24 -0.67 -1.52 -1.26 -4.95 119.66 115.73 2jvj s GLN 12 Ca 0.08 1.62 -0.05 0.00 -1.95 0.00 0.00 55.36 55.05 2jvj s GLN 12 Cb 0.06 -3.28 0.38 0.00 -0.22 0.00 0.00 33.01 29.95 2jvj s GLN 12 CO 0.00 0.24 1.79 1.88 -0.25 0.00 0.00 175.29 178.95 2jvj h TYR 13 N 4.76 0.75 0.00 0.91 0.05 -2.04 -3.17 116.97 118.22 2jvj h TYR 13 Ca -0.45 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.36 2jvj h TYR 13 Cb 1.21 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2jvj h TYR 13 CO 0.62 0.28 0.00 0.41 -1.05 0.00 0.00 178.16 178.42 2jvj n GLY 14 N -1.31 0.15 0.18 3.88 0.00 -1.26 -4.70 105.19 102.13 2jvj n GLY 14 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 2jvj n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jvj h ILE 15 N 0.78 1.34 -0.81 -0.61 2.04 -1.90 0.80 117.51 119.15 2jvj h ILE 15 Ca 0.00 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 63.65 2jvj h ILE 15 Cb 0.46 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 2jvj h ILE 15 CO 0.00 0.69 0.53 0.03 0.00 0.00 0.00 178.15 179.40 2jvj h ARG 16 N 0.34 0.85 0.00 2.37 3.08 -1.80 -2.01 114.38 117.21 2jvj h ARG 16 Ca -0.09 -0.05 -0.35 0.00 0.07 0.00 0.00 59.98 59.56 2jvj h ARG 16 Cb 1.57 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 31.36 2jvj h ARG 16 CO 0.17 0.56 -2.21 1.51 -1.07 0.00 0.00 179.97 178.93 2jvj n ILE 17 N -4.48 1.45 -0.37 2.04 0.13 -1.19 -3.97 119.36 112.96 2jvj n ILE 17 Ca 0.12 -0.84 -0.02 0.00 -1.10 0.00 0.00 62.75 60.91 2jvj n ILE 17 Cb 0.22 -0.62 0.12 0.00 -0.84 0.00 0.00 39.64 38.52 2jvj n ILE 17 CO 0.00 0.00 0.00 0.17 2.80 0.00 0.00 176.55 179.52 2jvj h LEU 18 N 0.00 1.14 -2.23 9.51 8.10 -0.69 0.53 115.31 131.67 2jvj h LEU 18 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 57.88 57.47 2jvj h LEU 18 Cb 2.19 -0.28 -0.00 0.00 -0.44 0.00 0.00 40.66 42.12 2jvj h LEU 18 CO 0.04 0.82 -0.05 -0.07 -4.11 0.00 0.00 178.44 175.07 2jvj h LEU 19 N 1.35 0.00 0.32 0.17 3.38 -1.52 -0.80 115.31 118.21 2jvj h LEU 19 Ca 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2jvj h LEU 19 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2jvj h LEU 19 CO -0.08 0.05 -0.16 0.78 0.09 0.00 0.00 178.44 179.12 2jvj h ASN 20 N 0.00 -0.37 -0.08 -0.43 -0.26 -1.04 -0.37 115.58 113.04 2jvj h ASN 20 Ca -0.00 -0.16 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 2jvj h ASN 20 Cb 0.14 0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.49 2jvj h ASN 20 CO 0.01 -0.01 0.06 -0.33 -1.06 0.00 0.00 177.43 176.09 2jvj h GLU 21 N -0.76 0.06 0.34 0.81 5.08 -0.86 0.48 114.58 119.73 2jvj h GLU 21 Ca -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jvj h GLU 21 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jvj h GLU 21 CO 0.07 0.04 -0.16 0.28 -1.00 0.00 0.00 179.01 178.24 2jvj h VAL 22 N 0.06 0.00 0.00 3.13 2.07 -1.08 -3.44 116.25 117.00 2jvj h VAL 22 Ca 0.03 -0.29 -0.30 0.00 0.82 0.00 0.00 66.70 66.96 2jvj h VAL 22 Cb 0.06 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 2jvj h VAL 22 CO -0.00 0.00 -2.13 0.49 0.02 0.00 0.00 177.57 175.95 2jvj n PHE 23 N -4.04 0.00 -0.34 1.57 3.72 -0.16 -4.18 117.46 114.03 2jvj n PHE 23 Ca -0.06 0.00 0.30 0.00 -0.05 0.00 0.00 57.45 57.64 2jvj n PHE 23 Cb 0.18 -0.76 0.63 0.00 -0.94 0.00 0.00 39.48 38.59 2jvj n PHE 23 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2jvj h ASN 24 N -0.10 0.23 0.15 4.37 -0.73 0.19 1.02 115.58 120.71 2jvj h ASN 24 Ca -0.45 0.05 -0.31 0.00 1.87 0.00 0.00 56.30 57.46 2jvj h ASN 24 Cb 1.65 0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.27 2jvj h ASN 24 CO -0.10 0.02 -1.58 0.07 -0.37 0.00 0.00 177.43 175.46 2jvj h LYS 25 N 0.19 0.31 0.00 6.67 2.10 -1.65 -3.30 116.57 120.90 2jvj h LYS 25 Ca 0.62 -0.53 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2jvj h LYS 25 Cb 1.99 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 33.51 2jvj h LYS 25 CO -0.19 1.26 -0.73 -0.85 -2.00 0.00 0.00 179.45 176.93 2jvj n GLU 26 N -3.76 1.42 -0.06 0.07 0.28 0.17 -4.82 120.64 113.93 2jvj n GLU 26 Ca -0.25 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.72 2jvj n GLU 26 Cb 0.98 -0.87 -0.01 0.00 1.43 0.00 0.00 31.44 32.97 2jvj n GLU 26 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2jvj h GLY 27 N 0.00 0.00 0.00 -1.84 0.00 0.55 -3.50 103.07 98.28 2jvj h GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jvj h GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 2jvj n TYR 28 N -4.70 -0.13 -2.18 5.60 4.01 0.21 -4.80 117.16 115.17 2jvj n TYR 28 Ca -0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 2jvj n TYR 28 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2jvj n TYR 28 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2jvj n GLN 29 N 0.00 3.09 -2.20 -0.72 -0.06 -0.23 -2.66 117.38 114.60 2jvj n GLN 29 Ca 0.00 -4.00 -0.43 0.00 -2.00 0.00 0.00 57.00 50.57 2jvj n GLN 29 Cb 0.00 -2.26 -0.02 0.00 -4.06 0.00 0.00 30.24 23.90 2jvj n GLN 29 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2jvj s THR 30 N -5.29 3.72 0.48 1.69 -4.23 -1.12 -3.07 115.64 107.81 2jvj s THR 30 Ca 0.50 0.73 0.06 0.00 -1.18 0.00 0.00 61.69 61.80 2jvj s THR 30 Cb 0.42 -3.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.28 2jvj s THR 30 CO -0.30 -0.63 0.32 0.12 -0.54 0.00 0.00 174.62 173.59 2jvj s PHE 31 N 6.07 2.12 -0.08 3.99 5.36 -0.29 -4.07 117.98 131.09 2jvj s PHE 31 Ca 0.69 -0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2jvj s PHE 31 Cb -0.17 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2jvj s PHE 31 CO 0.33 -0.19 -0.04 1.14 -1.46 0.00 0.00 175.22 175.01 2jvj s GLN 32 N -4.13 2.90 -0.06 10.12 0.00 -1.26 -0.66 119.66 126.58 2jvj s GLN 32 Ca 0.37 -0.49 0.00 0.00 -0.00 0.00 0.00 55.36 55.25 2jvj s GLN 32 Cb -0.01 -2.69 0.02 0.00 0.00 0.00 0.00 33.01 30.33 2jvj s GLN 32 CO 0.22 0.65 -0.04 0.00 0.00 0.00 0.00 175.29 176.12 2jvj s ALA 33 N -0.76 0.73 -1.07 2.60 0.00 0.95 -4.87 121.76 119.33 2jvj s ALA 33 Ca 0.12 -0.11 0.23 0.00 0.00 0.00 0.00 51.96 52.20 2jvj s ALA 33 Cb -0.11 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.59 2jvj s ALA 33 CO 0.02 -0.15 1.14 0.00 0.00 0.00 0.00 175.76 176.78 2jvj n ALA 34 N 4.36 4.16 -2.82 0.00 0.00 -1.26 -1.33 120.51 123.62 2jvj n ALA 34 Ca -0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 2jvj n ALA 34 Cb 0.51 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 2jvj n ALA 34 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jvj s ASN 35 N -2.96 0.08 0.53 0.00 0.01 -1.26 -4.31 114.94 107.03 2jvj s ASN 35 Ca 0.10 -0.42 0.23 0.00 -0.71 0.00 0.00 52.86 52.07 2jvj s ASN 35 Cb 0.17 0.27 1.47 0.00 0.41 0.00 0.00 41.25 43.57 2jvj s ASN 35 CO 0.78 -0.54 2.15 1.23 -1.51 0.00 0.00 177.10 179.20 2jvj h GLY 36 N 3.52 0.00 1.57 0.66 0.00 -1.89 0.01 103.07 106.94 2jvj h GLY 36 Ca -0.32 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 2jvj h GLY 36 CO 0.49 0.00 -0.43 1.41 0.00 0.00 0.00 176.54 178.00 2jvj h LEU 37 N 0.00 0.50 -0.78 3.11 -0.00 -1.94 0.13 115.31 116.33 2jvj h LEU 37 Ca -0.00 -0.23 -0.11 0.00 -0.00 0.00 0.00 57.88 57.54 2jvj h LEU 37 Cb 0.13 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2jvj h LEU 37 CO 0.01 0.87 -0.26 -0.61 -0.00 0.00 0.00 178.44 178.45 2jvj h GLN 38 N 0.38 0.63 -0.04 1.13 -0.00 -1.50 0.01 115.11 115.72 2jvj h GLN 38 Ca 0.03 -0.26 -0.07 0.00 -0.00 0.00 0.00 58.65 58.35 2jvj h GLN 38 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.36 2jvj h GLN 38 CO 0.08 0.83 -0.32 0.00 0.00 0.00 0.00 178.83 179.42 2jvj h ALA 39 N 1.17 1.38 -0.40 3.38 0.00 -0.47 -1.34 119.26 122.99 2jvj h ALA 39 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2jvj h ALA 39 Cb 0.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jvj h ALA 39 CO 0.06 0.45 -0.26 1.25 0.00 0.00 0.00 179.25 180.75 2jvj h LEU 40 N 0.07 0.91 -0.37 0.00 6.46 -0.03 0.33 115.31 122.69 2jvj h LEU 40 Ca 0.01 -0.43 0.07 0.00 -0.12 0.00 0.00 57.88 57.41 2jvj h LEU 40 Cb 0.61 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 2jvj h LEU 40 CO 0.04 1.14 -0.08 0.44 -0.62 0.00 0.00 178.44 179.37 2jvj h ASP 41 N 0.69 -0.31 0.22 1.25 3.32 -0.31 -0.66 116.42 120.61 2jvj h ASP 41 Ca 0.08 0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 2jvj h ASP 41 Cb 0.83 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2jvj h ASP 41 CO 0.07 -0.11 -0.67 0.40 -1.72 0.00 0.00 179.24 177.22 2jvj h ILE 42 N 0.02 1.36 0.00 0.35 1.08 -1.05 0.57 117.51 119.84 2jvj h ILE 42 Ca 0.18 -2.03 -0.01 0.00 -0.39 0.00 0.00 64.86 62.61 2jvj h ILE 42 Cb 0.27 2.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2jvj h ILE 42 CO -0.36 0.61 -0.03 1.62 -0.69 0.00 0.00 178.15 179.30 2jvj h VAL 43 N 0.30 0.10 0.00 1.67 3.04 0.31 0.76 116.25 122.44 2jvj h VAL 43 Ca -0.02 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2jvj h VAL 43 Cb 1.22 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 2jvj h VAL 43 CO 0.12 0.03 -1.75 1.07 -1.01 0.00 0.00 177.57 176.02 2jvj n THR 44 N -3.18 0.11 -0.04 3.17 5.66 -0.32 -3.24 114.28 116.46 2jvj n THR 44 Ca -0.01 -0.47 -0.02 0.00 -3.05 0.00 0.00 64.05 60.50 2jvj n THR 44 Cb 0.23 -0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.00 2jvj n THR 44 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2jvj h LYS 45 N 0.00 0.00 0.00 1.09 1.57 0.79 -3.42 116.57 116.60 2jvj h LYS 45 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2jvj h LYS 45 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2jvj h LYS 45 CO 0.00 0.00 -1.67 0.39 -0.57 0.00 0.00 179.45 177.60 2jvj n GLU 46 N -3.65 0.64 -3.48 3.15 1.02 0.24 -5.01 120.64 113.55 2jvj n GLU 46 Ca -0.03 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 2jvj n GLU 46 Cb 0.10 -1.66 0.06 0.00 -0.02 0.00 0.00 31.44 29.93 2jvj n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jvj n ARG 47 N -2.56 -4.30 -1.39 3.49 3.00 0.10 -4.94 116.66 110.05 2jvj n ARG 47 Ca -0.08 0.75 -0.35 0.00 -0.01 0.00 0.00 57.85 58.16 2jvj n ARG 47 Cb 0.69 -5.49 0.10 0.00 0.00 0.00 0.00 32.46 27.76 2jvj n ARG 47 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2jvj n PRO 48 N -3.91 0.59 0.01 5.56 -0.02 -1.26 -4.93 135.00 131.05 2jvj n PRO 48 Ca -0.21 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.65 2jvj n PRO 48 Cb 0.65 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 2jvj n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jvj n ASP 49 N -2.32 0.41 -4.22 2.55 2.03 0.09 -4.84 116.55 110.25 2jvj n ASP 49 Ca 0.14 -0.19 -0.26 0.00 0.52 0.00 0.00 54.79 55.00 2jvj n ASP 49 Cb 0.49 1.37 -0.15 0.00 -0.72 0.00 0.00 41.12 42.12 2jvj n ASP 49 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jvj s LEU 50 N -4.20 2.09 -0.19 -2.67 1.02 -0.42 -0.18 118.68 114.13 2jvj s LEU 50 Ca -0.02 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.71 2jvj s LEU 50 Cb 0.14 -1.00 0.05 0.00 0.02 0.00 0.00 46.19 45.39 2jvj s LEU 50 CO 0.86 0.21 -0.06 -0.69 0.02 0.00 0.00 176.35 176.69 2jvj s VAL 51 N -0.61 1.35 -0.24 -1.59 1.01 0.24 0.71 120.40 121.27 2jvj s VAL 51 Ca 0.08 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2jvj s VAL 51 Cb -0.08 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2jvj s VAL 51 CO 0.00 0.07 1.08 -0.76 0.00 0.00 0.00 175.10 175.50 2jvj s LEU 52 N 1.51 4.08 -0.08 3.92 1.43 0.40 0.31 118.68 130.24 2jvj s LEU 52 Ca -0.01 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 2jvj s LEU 52 Cb -0.16 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2jvj s LEU 52 CO -0.08 -0.72 -0.13 -0.22 0.23 0.00 0.00 176.35 175.44 2jvj s LEU 53 N 3.34 1.61 -0.10 1.79 1.98 -0.22 0.32 118.68 127.39 2jvj s LEU 53 Ca 0.46 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.37 2jvj s LEU 53 Cb -0.15 -0.91 -0.02 0.00 0.66 0.00 0.00 46.19 45.77 2jvj s LEU 53 CO 0.09 0.01 -0.12 -0.62 -1.89 0.00 0.00 176.35 173.82 2jvj s ASP 54 N 0.89 4.15 0.07 3.68 2.15 0.14 -1.24 116.67 126.51 2jvj s ASP 54 Ca -0.10 -0.23 0.23 0.00 0.43 0.00 0.00 52.55 52.88 2jvj s ASP 54 Cb -0.15 -1.30 0.09 0.00 -0.30 0.00 0.00 42.92 41.26 2jvj s ASP 54 CO 0.01 0.25 1.07 0.80 -0.17 0.00 0.00 175.17 177.13 2jvj n MET 55 N 2.93 0.31 -0.00 4.34 0.00 -1.26 -3.57 117.12 119.87 2jvj n MET 55 Ca -0.18 0.01 0.00 0.00 -0.00 0.00 0.00 57.70 57.54 2jvj n MET 55 Cb 0.53 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.13 2jvj n MET 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2jvj n LYS 56 N -2.03 1.00 -2.57 2.12 5.02 -1.26 -4.08 118.16 116.36 2jvj n LYS 56 Ca 0.02 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 2jvj n LYS 56 Cb 0.44 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.37 2jvj n LYS 56 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2jvj s ILE 57 N -1.87 4.52 0.02 -0.18 -1.16 -1.23 -4.94 121.20 116.35 2jvj s ILE 57 Ca 0.00 1.83 -0.31 0.00 -0.51 0.00 0.00 60.65 61.66 2jvj s ILE 57 Cb 0.00 -4.18 -0.10 0.00 0.61 0.00 0.00 42.46 38.80 2jvj s ILE 57 CO 0.00 -0.10 1.95 -2.65 -2.81 0.00 0.00 174.94 171.33 2jvj n PRO 58 N 5.90 2.73 0.00 3.50 -0.02 -1.26 -3.65 135.00 142.19 2jvj n PRO 58 Ca 0.12 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 2jvj n PRO 58 Cb 0.46 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 2jvj n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jvj n GLY 59 N 4.50 1.66 3.34 -1.23 0.00 -1.26 -4.56 105.19 107.64 2jvj n GLY 59 Ca 0.20 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 2jvj n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jvj s MET 60 N 0.00 1.35 -0.66 1.61 -1.94 -1.24 -5.07 119.30 113.36 2jvj s MET 60 Ca 0.00 -1.68 -0.23 0.00 -1.71 0.00 0.00 55.69 52.07 2jvj s MET 60 Cb 0.00 -0.66 0.06 0.00 2.01 0.00 0.00 34.83 36.24 2jvj s MET 60 CO 0.00 -0.09 0.98 -0.51 -0.01 0.00 0.00 175.02 175.40 2jvj s ASP 61 N -3.32 6.19 0.64 3.03 1.11 -1.26 -4.51 116.67 118.55 2jvj s ASP 61 Ca 0.28 -0.89 0.37 0.00 0.18 0.00 0.00 52.55 52.49 2jvj s ASP 61 Cb 0.06 -2.43 2.09 0.00 1.07 0.00 0.00 42.92 43.71 2jvj s ASP 61 CO 0.09 -1.45 2.25 1.23 1.18 0.00 0.00 175.17 178.47 2jvj h GLY 62 N 11.44 0.00 -0.02 0.21 0.00 -1.71 -2.58 103.07 110.41 2jvj h GLY 62 Ca -0.29 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.13 2jvj h GLY 62 CO 1.18 0.00 -0.20 1.19 0.00 0.00 0.00 176.54 178.71 2jvj h ILE 63 N 0.00 0.40 -0.02 2.60 2.10 -1.86 0.36 117.51 121.08 2jvj h ILE 63 Ca 0.01 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.87 2jvj h ILE 63 Cb 0.16 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 2jvj h ILE 63 CO -0.00 0.00 -0.39 -0.33 -1.08 0.00 0.00 178.15 176.35 2jvj h GLU 64 N -0.12 0.05 -0.13 2.19 4.39 -1.89 -2.28 114.58 116.79 2jvj h GLU 64 Ca 0.20 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 2jvj h GLU 64 Cb 0.44 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jvj h GLU 64 CO -0.50 0.43 -0.15 0.82 -1.16 0.00 0.00 179.01 178.45 2jvj h ILE 65 N 0.04 1.36 -0.37 3.13 5.03 -1.18 -0.86 117.51 124.67 2jvj h ILE 65 Ca 0.00 -1.34 -0.04 0.00 -0.12 0.00 0.00 64.86 63.37 2jvj h ILE 65 Cb 0.71 1.93 -0.02 0.00 -3.03 0.00 0.00 36.82 36.40 2jvj h ILE 65 CO 0.05 0.39 0.07 0.17 -0.68 0.00 0.00 178.15 178.15 2jvj h LEU 66 N -0.04 0.50 0.40 1.44 8.10 -0.20 0.30 115.31 125.80 2jvj h LEU 66 Ca 0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 57.88 57.92 2jvj h LEU 66 Cb 0.69 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 2jvj h LEU 66 CO 0.04 0.52 -0.19 0.11 -4.11 0.00 0.00 178.44 174.80 2jvj h LYS 67 N 0.53 -0.52 -0.85 0.17 1.57 -1.30 -2.72 116.57 113.45 2jvj h LYS 67 Ca 0.12 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.09 2jvj h LYS 67 Cb 0.23 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 2jvj h LYS 67 CO -0.00 -0.32 0.43 -0.09 -0.57 0.00 0.00 179.45 178.90 2jvj h ARG 68 N -0.58 0.58 0.34 3.15 9.65 -0.38 0.30 114.38 127.44 2jvj h ARG 68 Ca -0.05 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2jvj h ARG 68 Cb 0.44 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 2jvj h ARG 68 CO 0.09 0.38 -0.31 0.52 2.80 0.00 0.00 179.97 183.45 2jvj h MET 69 N 0.60 -0.65 0.00 0.20 2.86 -0.18 0.66 114.93 118.42 2jvj h MET 69 Ca 0.47 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 2jvj h MET 69 Cb 0.68 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2jvj h MET 69 CO -0.38 -0.43 0.00 0.36 1.06 0.00 0.00 176.91 177.52 2jvj n LYS 70 N -5.43 0.99 0.04 1.72 -0.00 -1.05 -0.66 118.16 113.77 2jvj n LYS 70 Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.26 2jvj n LYS 70 Cb 0.33 -1.18 -0.07 0.00 -0.00 0.00 0.00 35.03 34.11 2jvj n LYS 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2jvj n VAL 71 N -0.68 0.91 0.04 0.58 0.31 0.30 -2.83 118.33 116.96 2jvj n VAL 71 Ca 0.09 -0.64 -0.22 0.00 -0.01 0.00 0.00 64.34 63.56 2jvj n VAL 71 Cb 0.04 -0.53 -0.14 0.00 -0.91 0.00 0.00 33.84 32.29 2jvj n VAL 71 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jvj h ILE 72 N 0.00 1.01 0.00 2.52 2.04 0.25 -3.42 117.51 119.91 2jvj h ILE 72 Ca -0.12 -2.46 -0.19 0.00 1.00 0.00 0.00 64.86 63.09 2jvj h ILE 72 Cb 1.38 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 40.20 2jvj h ILE 72 CO 0.03 0.78 -1.67 -0.67 0.00 0.00 0.00 178.15 176.61 2jvj n ASP 73 N -3.79 1.66 0.00 1.72 2.03 -0.70 -5.01 116.55 112.47 2jvj n ASP 73 Ca -0.24 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2jvj n ASP 73 Cb 0.98 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 2jvj n ASP 73 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jvj n GLU 74 N -3.29 0.00 0.00 -0.67 1.02 -1.13 -4.67 120.64 111.90 2jvj n GLU 74 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2jvj n GLU 74 Cb 0.69 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2jvj n GLU 74 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jvj n ASN 75 N 0.00 2.18 -4.59 1.62 3.02 -1.26 -5.01 115.26 111.21 2jvj n ASN 75 Ca 0.00 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.04 2jvj n ASN 75 Cb 0.00 0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 2jvj n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jvj n ILE 76 N -0.99 0.18 -2.52 2.41 3.06 -1.26 -4.82 119.36 115.42 2jvj n ILE 76 Ca 0.00 -0.05 -0.40 0.00 -2.50 0.00 0.00 62.75 59.80 2jvj n ILE 76 Cb 0.15 -0.88 -0.03 0.00 0.54 0.00 0.00 39.64 39.42 2jvj n ILE 76 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2jvj s ARG 77 N 0.33 3.33 -0.46 9.51 1.81 0.75 -4.71 118.95 129.50 2jvj s ARG 77 Ca 0.82 -0.62 -0.23 0.00 -1.72 0.00 0.00 55.73 53.98 2jvj s ARG 77 Cb -0.91 -4.77 0.03 0.00 -0.45 0.00 0.00 34.95 28.85 2jvj s ARG 77 CO 0.47 -2.25 0.78 0.14 -0.68 0.00 0.00 175.30 173.76 2jvj s VAL 78 N 5.69 4.65 -0.13 3.52 -7.23 -1.26 0.81 120.40 126.45 2jvj s VAL 78 Ca 0.43 0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 60.87 2jvj s VAL 78 Cb -0.04 -4.33 -0.04 0.00 0.56 0.00 0.00 36.38 32.53 2jvj s VAL 78 CO 0.03 -0.76 0.04 -0.63 -0.31 0.00 0.00 175.10 173.47 2jvj s ILE 79 N 3.28 4.60 -0.31 -0.62 -1.09 0.15 0.13 121.20 127.34 2jvj s ILE 79 Ca 0.28 -0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.50 2jvj s ILE 79 Cb -0.13 -3.00 0.01 0.00 -1.58 0.00 0.00 42.46 37.76 2jvj s ILE 79 CO 0.21 0.55 0.11 -0.51 -1.23 0.00 0.00 174.94 174.08 2jvj s ILE 80 N -0.42 4.21 -1.77 2.92 2.07 -0.98 -1.06 121.20 126.17 2jvj s ILE 80 Ca 0.09 -0.63 0.15 0.00 -1.41 0.00 0.00 60.65 58.85 2jvj s ILE 80 Cb -0.12 -3.18 0.20 0.00 0.13 0.00 0.00 42.46 39.49 2jvj s ILE 80 CO 0.02 0.05 1.09 1.15 -1.91 0.00 0.00 174.94 175.34 2jvj n MET 81 N 4.91 1.60 -0.09 3.50 0.00 -0.37 -2.32 117.12 124.34 2jvj n MET 81 Ca -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 57.70 55.91 2jvj n MET 81 Cb 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 32.38 2jvj n MET 81 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2jvj n THR 82 N 0.89 0.00 -1.53 3.17 5.66 -1.13 -3.77 114.28 117.56 2jvj n THR 82 Ca 0.11 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.76 2jvj n THR 82 Cb 0.42 -1.68 -0.09 0.00 -1.55 0.00 0.00 70.33 67.43 2jvj n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jvj n ALA 83 N -3.00 0.60 -1.77 1.79 0.00 -1.26 -3.28 120.51 113.59 2jvj n ALA 83 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.28 2jvj n ALA 83 Cb 0.00 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 16.56 2jvj n ALA 83 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2jvj s TYR 84 N 10.70 3.17 0.00 0.00 1.13 -1.26 -2.06 117.35 129.03 2jvj s TYR 84 Ca 1.12 1.48 0.00 0.00 -1.41 0.00 0.00 57.07 58.27 2jvj s TYR 84 Cb -0.57 -3.58 0.00 0.00 -1.10 0.00 0.00 41.96 36.70 2jvj s TYR 84 CO 0.34 -1.55 0.00 0.41 -2.51 0.00 0.00 175.55 172.24 2jvj n GLY 85 N 0.88 0.74 0.17 5.49 0.00 -1.26 -4.91 105.19 106.31 2jvj n GLY 85 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2jvj n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jvj n GLU 86 N -1.04 1.24 0.00 1.61 4.71 -0.88 -1.88 120.64 124.40 2jvj n GLU 86 Ca 0.00 -0.35 0.04 0.00 -0.01 0.00 0.00 57.16 56.85 2jvj n GLU 86 Cb 0.00 -1.45 0.21 0.00 -1.01 0.00 0.00 31.44 29.19 2jvj n GLU 86 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2jvj n LEU 87 N -0.55 0.00 0.00 -4.62 -0.00 -1.26 0.23 117.00 110.81 2jvj n LEU 87 Ca 0.20 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 2jvj n LEU 87 Cb 0.18 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2jvj n LEU 87 CO 0.16 -0.22 0.00 -0.67 -0.00 0.00 0.00 177.39 176.65 2jvj n ASP 88 N -1.32 0.00 0.13 1.45 -0.08 -0.79 -4.42 116.55 111.53 2jvj n ASP 88 Ca 0.04 0.16 -0.12 0.00 -1.51 0.00 0.00 54.79 53.36 2jvj n ASP 88 Cb 0.07 -0.32 -0.07 0.00 2.34 0.00 0.00 41.12 43.14 2jvj n ASP 88 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 2jvj h MET 89 N 0.00 -0.37 0.00 -0.67 4.05 -1.67 0.67 114.93 116.94 2jvj h MET 89 Ca 0.00 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2jvj h MET 89 Cb 0.00 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 2jvj h MET 89 CO 0.00 -0.03 -0.18 0.00 0.23 0.00 0.00 176.91 176.94 2jvj h ALA 90 N -0.41 1.67 0.00 0.39 0.00 -0.55 -0.95 119.26 119.41 2jvj h ALA 90 Ca -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jvj h ALA 90 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jvj h ALA 90 CO 0.06 0.22 -0.02 0.37 0.00 0.00 0.00 179.25 179.89 2jvj h GLN 91 N 0.00 0.00 0.00 0.00 5.75 -1.25 -3.35 115.11 116.26 2jvj h GLN 91 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2jvj h GLN 91 Cb 0.32 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 2jvj h GLN 91 CO 0.02 0.23 -0.03 0.93 -2.65 0.00 0.00 178.83 177.34 2jvj h GLU 92 N -1.00 0.00 -0.00 1.69 5.08 -0.80 -1.91 114.58 117.64 2jvj h GLU 92 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jvj h GLU 92 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jvj h GLU 92 CO -0.00 0.03 -0.00 0.43 -1.00 0.00 0.00 179.01 178.46 2jvj n SER 93 N -3.14 0.03 0.00 1.42 7.64 -0.37 -4.89 113.62 114.31 2jvj n SER 93 Ca 0.01 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2jvj n SER 93 Cb 0.33 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2jvj n SER 93 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jvj n LYS 94 N -1.12 0.00 0.00 1.43 3.00 -0.72 -5.08 118.16 115.67 2jvj n LYS 94 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2jvj n LYS 94 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.21 2jvj n LYS 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jvj n GLU 95 N 0.00 0.00 0.05 1.64 4.07 -1.26 -4.74 120.64 120.40 2jvj n GLU 95 Ca 0.00 0.07 -0.04 0.00 -0.06 0.00 0.00 57.16 57.13 2jvj n GLU 95 Cb 0.00 -0.41 -0.09 0.00 -0.06 0.00 0.00 31.44 30.88 2jvj n GLU 95 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2jvj h LEU 96 N 0.00 0.00 0.00 4.31 5.85 -1.89 -3.47 115.31 120.11 2jvj h LEU 96 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jvj h LEU 96 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jvj h LEU 96 CO 0.00 0.82 0.00 0.61 -0.34 0.00 0.00 178.44 179.53 2jvj n GLY 97 N 1.38 1.34 0.00 3.75 0.00 -1.25 -4.72 105.19 105.68 2jvj n GLY 97 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2jvj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvj n ALA 98 N 0.00 0.00 -0.76 4.61 0.00 -1.26 -4.48 120.51 118.61 2jvj n ALA 98 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2jvj n ALA 98 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2jvj n ALA 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jvj n LEU 99 N 0.00 6.21 -0.33 0.00 4.77 0.34 -4.99 117.00 123.02 2jvj n LEU 99 Ca 0.00 -3.19 0.03 0.00 -0.03 0.00 0.00 56.01 52.82 2jvj n LEU 99 Cb 0.00 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 2jvj n LEU 99 CO 0.00 1.15 -0.14 0.41 -1.33 0.00 0.00 177.39 177.48 2jvj n THR 100 N 0.20 -0.27 -1.53 -5.08 -1.04 -1.26 -4.78 114.28 100.52 2jvj n THR 100 Ca 0.31 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 2jvj n THR 100 Cb 0.67 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 2jvj n THR 100 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2jvj n HIS 101 N -2.42 0.00 -4.16 -1.42 -0.00 -1.25 -2.32 115.22 103.65 2jvj n HIS 101 Ca -0.02 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.04 2jvj n HIS 101 Cb 0.15 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.91 2jvj n HIS 101 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 2jvj s PHE 102 N -2.69 0.92 -0.02 1.57 0.08 -0.98 -4.84 117.98 112.02 2jvj s PHE 102 Ca 0.00 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.26 2jvj s PHE 102 Cb 0.00 -0.52 0.03 0.00 -0.57 0.00 0.00 43.02 41.96 2jvj s PHE 102 CO 0.00 -0.09 1.07 0.00 -0.10 0.00 0.00 175.22 176.10 2jvj n ALA 103 N 0.29 2.68 -3.45 5.36 0.00 -1.21 -4.19 120.51 119.99 2jvj n ALA 103 Ca -0.14 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 2jvj n ALA 103 Cb 0.59 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 2jvj n ALA 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jvj s LYS 104 N -0.14 2.54 -0.66 0.00 1.02 -1.26 -4.88 119.74 116.35 2jvj s LYS 104 Ca 0.02 -1.21 -0.26 0.00 0.02 0.00 0.00 55.97 54.54 2jvj s LYS 104 Cb 0.02 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2jvj s LYS 104 CO 0.00 -0.63 1.98 -1.25 -0.92 0.00 0.00 175.35 174.53 2jvj s PRO 105 N 1.33 2.49 0.38 -1.68 0.04 -1.26 -4.94 135.00 131.35 2jvj s PRO 105 Ca -0.03 0.53 0.08 0.00 0.04 0.00 0.00 61.00 61.61 2jvj s PRO 105 Cb -0.20 -4.57 -0.05 0.00 0.04 0.00 0.00 34.50 29.72 2jvj s PRO 105 CO 0.01 -3.02 0.13 0.12 0.04 0.00 0.00 177.00 174.28 2jvj s PHE 106 N 9.99 2.62 0.29 0.56 5.36 -1.26 -5.09 117.98 130.46 2jvj s PHE 106 Ca 0.73 -0.49 -0.27 0.00 -0.96 0.00 0.00 56.93 55.94 2jvj s PHE 106 Cb -0.12 -1.77 -0.14 0.00 -0.34 0.00 0.00 43.02 40.65 2jvj s PHE 106 CO 0.16 0.29 0.82 -3.47 -1.46 0.00 0.00 175.22 171.57 2jvj n ASP 107 N -1.15 0.36 0.00 6.13 2.03 -1.26 -4.80 116.55 117.86 2jvj n ASP 107 Ca -0.02 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2jvj n ASP 107 Cb 0.63 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 2jvj n ASP 107 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jvj n ILE 108 N -0.01 1.43 -0.14 5.18 -6.64 -1.26 -2.07 119.36 115.86 2jvj n ILE 108 Ca 0.12 0.38 -0.04 0.00 -1.77 0.00 0.00 62.75 61.44 2jvj n ILE 108 Cb 0.32 -1.38 0.05 0.00 -1.44 0.00 0.00 39.64 37.19 2jvj n ILE 108 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2jvj h ASP 109 N 0.00 -0.01 0.20 7.28 3.58 -2.00 0.89 116.42 126.36 2jvj h ASP 109 Ca 0.00 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2jvj h ASP 109 Cb 0.03 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2jvj h ASP 109 CO 0.00 0.03 -0.14 -0.33 -2.88 0.00 0.00 179.24 175.92 2jvj h GLU 110 N 0.21 0.00 0.00 0.28 4.39 -1.76 -1.69 114.58 116.01 2jvj h GLU 110 Ca 0.22 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 2jvj h GLU 110 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2jvj h GLU 110 CO -0.30 0.14 -0.00 0.82 -1.16 0.00 0.00 179.01 178.51 2jvj h ILE 111 N 0.00 1.66 -0.70 3.13 5.03 -1.09 -1.26 117.51 124.28 2jvj h ILE 111 Ca -0.00 -1.96 -0.04 0.00 -0.12 0.00 0.00 64.86 62.73 2jvj h ILE 111 Cb 0.28 3.00 -0.03 0.00 -3.03 0.00 0.00 36.82 37.03 2jvj h ILE 111 CO 0.02 0.51 0.27 0.08 -0.68 0.00 0.00 178.15 178.35 2jvj h ARG 112 N -0.84 1.06 0.12 2.37 0.11 -0.90 -1.18 114.38 115.11 2jvj h ARG 112 Ca -0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 59.98 59.88 2jvj h ARG 112 Cb 0.84 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2jvj h ARG 112 CO 0.00 0.88 -0.06 0.22 0.10 0.00 0.00 179.97 181.11 2jvj h ASP 113 N 1.01 -0.13 -0.71 0.08 3.58 -1.38 -2.32 116.42 116.55 2jvj h ASP 113 Ca 0.23 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2jvj h ASP 113 Cb 0.23 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2jvj h ASP 113 CO -0.02 0.07 0.28 0.00 -2.88 0.00 0.00 179.24 176.70 2jvj h ALA 114 N 0.52 1.14 -0.22 -0.78 0.00 -1.09 0.16 119.26 118.99 2jvj h ALA 114 Ca -0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2jvj h ALA 114 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jvj h ALA 114 CO 0.03 0.62 -0.39 -0.39 0.00 0.00 0.00 179.25 179.11 2jvj h VAL 115 N 1.05 1.30 0.00 0.00 -1.51 -1.18 0.18 116.25 116.08 2jvj h VAL 115 Ca 0.24 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 64.16 2jvj h VAL 115 Cb 0.21 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2jvj h VAL 115 CO -0.02 0.48 -0.05 0.11 -1.23 0.00 0.00 177.57 176.86 2jvj h LYS 116 N 0.42 0.00 0.14 5.19 1.79 -0.97 -2.58 116.57 120.55 2jvj h LYS 116 Ca 0.04 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.25 2jvj h LYS 116 Cb 0.87 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.53 2jvj h LYS 116 CO 0.07 0.05 -1.29 0.87 -1.08 0.00 0.00 179.45 178.08 2jvj h LYS 117 N 0.00 0.29 -0.09 3.15 6.56 -0.29 -3.38 116.57 122.81 2jvj h LYS 117 Ca -0.00 -0.49 -0.05 0.00 -1.06 0.00 0.00 60.65 59.05 2jvj h LYS 117 Cb 1.02 0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jvj h LYS 117 CO 0.01 1.23 -0.12 -0.92 -2.06 0.00 0.00 179.45 177.59 2jvj h TYR 118 N -0.27 0.30 -2.82 -1.35 3.20 -0.75 -3.43 116.97 111.84 2jvj h TYR 118 Ca -0.26 -0.10 -0.56 0.00 3.14 0.00 0.00 58.73 60.95 2jvj h TYR 118 Cb 1.78 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 2jvj h TYR 118 CO 0.14 0.70 0.94 -1.17 -1.64 0.00 0.00 178.16 177.13 2jvj s LEU 119 N -9.07 4.26 0.12 2.82 0.20 -0.97 -4.93 118.68 111.10 2jvj s LEU 119 Ca -0.15 1.95 -0.33 0.00 0.69 0.00 0.00 54.13 56.29 2jvj s LEU 119 Cb 0.04 -3.54 -0.12 0.00 -0.43 0.00 0.00 46.19 42.14 2jvj s LEU 119 CO 0.73 -0.80 1.56 1.55 -0.29 0.00 0.00 176.35 179.10 2jvj h PRO 120 N 8.51 -0.55 -0.23 0.98 0.13 -1.88 -3.46 132.00 135.50 2jvj h PRO 120 Ca -0.33 0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2jvj h PRO 120 Cb 1.14 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2jvj h PRO 120 CO 0.95 -0.37 -0.09 1.28 -0.23 0.00 0.00 178.00 179.54 2jvj n LEU 121 N -5.43 -0.30 0.00 1.56 4.77 -1.26 -4.97 117.00 111.36 2jvj n LEU 121 Ca -0.06 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2jvj n LEU 121 Cb 0.38 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2jvj n LEU 121 CO 0.08 -0.32 0.00 1.17 -1.33 0.00 0.00 177.39 177.00 2jvj n LYS 122 N -2.63 2.25 0.00 3.23 4.81 -1.26 -5.08 118.16 119.48 2jvj n LYS 122 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2jvj n LYS 122 Cb 0.19 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.24 2jvj n LYS 122 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jvj n SER 123 N 0.00 0.00 -4.11 3.14 3.41 -1.26 -5.04 113.62 109.75 2jvj n SER 123 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2jvj n SER 123 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2jvj n SER 123 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jvj s ASN 124 N 0.00 5.26 0.25 4.04 2.47 -1.26 -5.04 114.94 120.66 2jvj s ASN 124 Ca 0.00 -2.41 0.01 0.00 0.42 0.00 0.00 52.86 50.88 2jvj s ASN 124 Cb 0.00 -1.85 -0.05 0.00 -1.45 0.00 0.00 41.25 37.91 2jvj s ASN 124 CO 0.00 -0.47 0.11 -0.76 -3.72 0.00 0.00 177.10 172.26 2jvj s LEU 125 N 0.59 1.55 -0.10 3.21 1.43 -1.26 -5.02 118.68 119.08 2jvj s LEU 125 Ca 0.12 -1.40 0.04 0.00 -1.03 0.00 0.00 54.13 51.86 2jvj s LEU 125 Cb -0.22 0.10 0.29 0.00 0.03 0.00 0.00 46.19 46.39 2jvj s LEU 125 CO -0.04 -0.76 1.03 -0.62 0.23 0.00 0.00 176.35 176.19 2jvj n GLU 126 N -0.44 2.23 -3.61 1.70 -0.58 -1.26 -4.80 120.64 113.88 2jvj n GLU 126 Ca 0.00 -1.14 -0.36 0.00 -0.42 0.00 0.00 57.16 55.25 2jvj n GLU 126 Cb 0.66 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.75 2jvj n GLU 126 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2jvj s HIS 127 N -1.55 3.45 0.11 -0.32 3.76 -1.26 -5.00 115.29 114.48 2jvj s HIS 127 Ca 0.20 0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 55.50 2jvj s HIS 127 Cb 0.16 -2.27 -0.13 0.00 1.11 0.00 0.00 32.58 31.44 2jvj s HIS 127 CO 0.05 0.27 1.32 0.45 -0.85 0.00 0.00 174.74 175.98 2jvj h HIS 128 N 6.62 1.02 -4.97 1.40 3.86 -2.03 -3.47 115.15 117.59 2jvj h HIS 128 Ca -0.41 -0.45 -0.39 0.00 -1.16 0.00 0.00 60.37 57.95 2jvj h HIS 128 Cb 1.16 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 2jvj h HIS 128 CO 0.60 1.28 -0.59 1.58 0.86 0.00 0.00 177.93 181.66 2jvj n HIS 129 N -3.92 -1.92 -3.24 2.45 -0.00 -1.26 -4.93 115.22 102.39 2jvj n HIS 129 Ca -0.07 0.52 0.03 0.00 -0.00 0.00 0.00 57.72 58.20 2jvj n HIS 129 Cb 0.75 -3.82 -0.02 0.00 -0.00 0.00 0.00 29.99 26.90 2jvj n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jvj s HIS 130 N -3.07 -1.23 0.01 1.57 5.04 -1.26 -5.17 115.29 111.19 2jvj s HIS 130 Ca 0.36 1.48 0.06 0.00 -1.54 0.00 0.00 55.06 55.42 2jvj s HIS 130 Cb -0.17 0.50 -0.03 0.00 0.04 0.00 0.00 32.58 32.91 2jvj s HIS 130 CO 0.44 -0.66 -0.17 -1.58 -2.34 0.00 0.00 174.74 170.44 2jvj s HIS 131 N 2.85 2.60 -0.99 3.88 2.46 -1.26 -5.24 115.29 119.59 2jvj s HIS 131 Ca 0.10 -0.23 0.08 0.00 0.47 0.00 0.00 55.06 55.48 2jvj s HIS 131 Cb -0.13 -1.51 0.06 0.00 -0.13 0.00 0.00 32.58 30.87 2jvj s HIS 131 CO -0.18 0.23 0.75 1.58 -2.47 0.00 0.00 174.74 174.65