#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 -0.30 2.12 0.00 -1.26 -4.70 117.12 112.98 2jvj n MET 2 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.70 57.78 2jvj n MET 2 Cb 0.00 -1.54 0.24 0.00 0.00 0.00 0.00 33.22 31.91 2jvj n MET 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2jvj n ASN 3 N 0.00 2.96 -4.71 6.12 5.03 -1.26 -4.88 115.26 118.52 2jvj n ASN 3 Ca 0.00 -2.06 -0.42 0.00 0.87 0.00 0.00 54.58 52.97 2jvj n ASN 3 Cb 0.00 -0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.35 2jvj n ASN 3 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2jvj s GLU 4 N -1.38 4.51 -0.11 3.52 1.03 -1.26 -4.92 118.70 120.10 2jvj s GLU 4 Ca 0.36 1.47 -0.07 0.00 0.03 0.00 0.00 54.97 56.75 2jvj s GLU 4 Cb 0.19 -3.47 0.04 0.00 -0.80 0.00 0.00 34.13 30.09 2jvj s GLU 4 CO 0.23 -0.14 0.27 0.15 -1.33 0.00 0.00 175.26 174.43 2jvj s LYS 5 N 1.26 0.27 -0.03 -4.83 1.02 -1.26 0.88 119.74 117.05 2jvj s LYS 5 Ca 0.52 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.90 2jvj s LYS 5 Cb -0.22 0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 2jvj s LYS 5 CO 0.26 -0.10 0.18 0.42 -0.92 0.00 0.00 175.35 175.19 2jvj s ILE 6 N 0.72 0.04 -0.24 2.17 1.01 -0.85 -0.50 121.20 123.56 2jvj s ILE 6 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2jvj s ILE 6 Cb -0.06 -0.38 0.05 0.00 0.01 0.00 0.00 42.46 42.08 2jvj s ILE 6 CO -0.04 -0.20 -0.13 -0.22 0.00 0.00 0.00 174.94 174.34 2jvj s LEU 7 N -0.71 3.08 -0.35 2.97 1.98 0.24 -0.90 118.68 124.99 2jvj s LEU 7 Ca -0.08 -1.18 -0.17 0.00 -2.89 0.00 0.00 54.13 49.81 2jvj s LEU 7 Cb -0.05 -1.54 -0.01 0.00 0.66 0.00 0.00 46.19 45.26 2jvj s LEU 7 CO 0.01 -0.14 0.47 -0.63 -1.89 0.00 0.00 176.35 174.17 2jvj s ILE 8 N 1.16 5.06 -0.25 6.68 1.09 0.61 0.15 121.20 135.70 2jvj s ILE 8 Ca -0.05 0.23 -0.03 0.00 -1.10 0.00 0.00 60.65 59.71 2jvj s ILE 8 Cb -0.18 -3.92 0.02 0.00 -1.06 0.00 0.00 42.46 37.32 2jvj s ILE 8 CO -0.07 -0.18 -0.04 -0.69 -0.10 0.00 0.00 174.94 173.86 2jvj s VAL 9 N 2.27 3.11 -0.17 2.92 1.01 0.28 -0.23 120.40 129.59 2jvj s VAL 9 Ca 0.16 -0.91 -0.34 0.00 0.00 0.00 0.00 61.98 60.89 2jvj s VAL 9 Cb -0.16 -2.56 0.13 0.00 0.00 0.00 0.00 36.38 33.79 2jvj s VAL 9 CO 0.13 0.21 1.18 -0.62 0.00 0.00 0.00 175.10 175.99 2jvj s ASP 10 N 1.37 -0.16 -0.16 3.32 -1.08 -0.31 -0.56 116.67 119.09 2jvj s ASP 10 Ca 0.01 0.00 0.12 0.00 -0.52 0.00 0.00 52.55 52.16 2jvj s ASP 10 Cb -0.16 0.17 0.62 0.00 -1.46 0.00 0.00 42.92 42.08 2jvj s ASP 10 CO -0.03 -0.27 1.46 -0.67 0.52 0.00 0.00 175.17 176.17 2jvj n ASP 11 N -0.10 4.44 -4.69 -0.34 2.03 -1.26 -4.43 116.55 112.20 2jvj n ASP 11 Ca -0.00 -2.62 -0.44 0.00 0.52 0.00 0.00 54.79 52.24 2jvj n ASP 11 Cb 0.59 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.34 2jvj n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jvj n GLN 12 N 0.57 2.44 -0.22 -0.67 1.13 -1.26 -4.87 117.38 114.50 2jvj n GLN 12 Ca 0.21 0.88 0.02 0.00 -1.94 0.00 0.00 57.00 56.18 2jvj n GLN 12 Cb 0.92 -2.71 0.13 0.00 0.11 0.00 0.00 30.24 28.69 2jvj n GLN 12 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2jvj h TYR 13 N 6.99 0.28 0.00 1.08 3.20 -2.04 -3.34 116.97 123.14 2jvj h TYR 13 Ca -0.45 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2jvj h TYR 13 Cb 1.24 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2jvj h TYR 13 CO 0.69 -0.01 0.00 0.41 -1.64 0.00 0.00 178.16 177.61 2jvj n GLY 14 N -1.32 1.00 0.24 1.82 0.00 -1.26 -4.83 105.19 100.83 2jvj n GLY 14 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.81 1.23 -0.78 -0.61 1.08 -1.98 -0.26 117.51 117.01 2jvj h ILE 15 Ca 0.00 -1.07 0.07 0.00 -0.39 0.00 0.00 64.86 63.47 2jvj h ILE 15 Cb 0.41 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 2jvj h ILE 15 CO 0.00 0.34 0.51 0.03 -0.69 0.00 0.00 178.15 178.34 2jvj h ARG 16 N 0.34 0.78 0.00 2.37 3.08 -1.88 -2.28 114.38 116.79 2jvj h ARG 16 Ca 0.06 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.82 2jvj h ARG 16 Cb 0.54 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2jvj h ARG 16 CO 0.04 0.52 -1.91 1.51 -1.07 0.00 0.00 179.97 179.05 2jvj n ILE 17 N -4.49 1.15 -0.24 2.04 0.13 -0.83 -3.81 119.36 113.32 2jvj n ILE 17 Ca 0.12 -0.74 0.02 0.00 -1.10 0.00 0.00 62.75 61.05 2jvj n ILE 17 Cb 0.25 -0.57 0.15 0.00 -0.84 0.00 0.00 39.64 38.62 2jvj n ILE 17 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2jvj h LEU 18 N 0.00 0.33 -1.65 9.51 3.38 -0.70 0.10 115.31 126.28 2jvj h LEU 18 Ca -0.30 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2jvj h LEU 18 Cb 1.81 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 2jvj h LEU 18 CO 0.04 0.17 -0.03 -0.07 0.09 0.00 0.00 178.44 178.64 2jvj h LEU 19 N 0.49 0.00 0.33 1.67 4.07 -1.55 -1.76 115.31 118.56 2jvj h LEU 19 Ca 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.30 2jvj h LEU 19 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2jvj h LEU 19 CO -0.33 0.03 -0.16 0.78 -1.08 0.00 0.00 178.44 177.69 2jvj h ASN 20 N 0.00 -0.37 -0.90 -0.43 -0.26 -0.91 -0.17 115.58 112.54 2jvj h ASN 20 Ca -0.00 -0.14 0.08 0.00 -0.56 0.00 0.00 56.30 55.68 2jvj h ASN 20 Cb 0.46 0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.75 2jvj h ASN 20 CO 0.00 -0.06 0.58 -0.33 -1.06 0.00 0.00 177.43 176.57 2jvj h GLU 21 N -0.71 0.93 0.06 0.81 3.07 -0.97 0.44 114.58 118.21 2jvj h GLU 21 Ca -0.05 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2jvj h GLU 21 Cb 0.49 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2jvj h GLU 21 CO 0.07 0.62 -0.03 0.28 -1.40 0.00 0.00 179.01 178.55 2jvj h VAL 22 N 0.96 1.18 0.00 3.13 2.07 -1.25 -3.43 116.25 118.91 2jvj h VAL 22 Ca 0.40 -0.83 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 2jvj h VAL 22 Cb 0.30 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2jvj h VAL 22 CO -0.16 0.21 -1.50 0.49 0.02 0.00 0.00 177.57 176.62 2jvj n PHE 23 N -4.95 0.00 -0.38 1.57 3.72 -0.08 -4.32 117.46 113.02 2jvj n PHE 23 Ca -0.08 0.00 0.32 0.00 -0.05 0.00 0.00 57.45 57.63 2jvj n PHE 23 Cb 0.21 -0.33 0.63 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.15 0.24 1.31 4.37 -0.73 0.33 1.06 115.58 122.01 2jvj h ASN 24 Ca -0.21 0.07 -0.07 0.00 1.87 0.00 0.00 56.30 57.96 2jvj h ASN 24 Cb 1.26 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.87 2jvj h ASN 24 CO -0.08 -0.01 -0.71 0.07 -0.37 0.00 0.00 177.43 176.33 2jvj h LYS 25 N 0.18 0.00 0.00 6.67 -0.00 -1.76 -3.40 116.57 118.26 2jvj h LYS 25 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.31 2jvj h LYS 25 Cb 2.12 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.35 2jvj h LYS 25 CO -0.23 0.20 0.00 -0.85 -0.00 0.00 0.00 179.45 178.57 2jvj n GLU 26 N -2.98 0.00 0.16 0.07 0.28 0.14 -4.98 120.64 113.34 2jvj n GLU 26 Ca -0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.92 2jvj n GLU 26 Cb 0.66 -0.23 -0.03 0.00 1.43 0.00 0.00 31.44 33.27 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 -0.48 -3.18 -1.84 0.00 0.69 -3.45 103.07 94.81 2jvj h GLY 27 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2jvj h GLY 27 CO 0.00 -0.17 0.21 -0.19 0.00 0.00 0.00 176.54 176.39 2jvj s TYR 28 N -3.10 -0.56 -1.12 5.60 2.02 0.25 -4.75 117.35 115.70 2jvj s TYR 28 Ca -0.07 0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 57.03 2jvj s TYR 28 Cb 0.01 0.53 -0.06 0.00 -0.40 0.00 0.00 41.96 42.04 2jvj s TYR 28 CO 0.20 -0.80 2.36 0.94 -1.57 0.00 0.00 175.55 176.67 2jvj n GLN 29 N -0.16 2.55 -2.42 -0.62 -0.06 0.26 -0.16 117.38 116.77 2jvj n GLN 29 Ca -0.17 -1.66 -0.43 0.00 -2.00 0.00 0.00 57.00 52.73 2jvj n GLN 29 Cb 0.64 -2.55 -0.02 0.00 -4.06 0.00 0.00 30.24 24.25 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 3.04 3.98 0.48 1.69 -4.23 -1.17 -2.01 115.64 117.43 2jvj s THR 30 Ca 0.48 1.00 0.06 0.00 -1.18 0.00 0.00 61.69 62.05 2jvj s THR 30 Cb 0.12 -4.32 -0.01 0.00 1.34 0.00 0.00 72.50 69.64 2jvj s THR 30 CO -0.04 -0.84 0.29 0.12 -0.54 0.00 0.00 174.62 173.61 2jvj s PHE 31 N 5.18 2.14 -0.03 3.99 5.36 -0.07 -4.28 117.98 130.27 2jvj s PHE 31 Ca 0.57 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 2jvj s PHE 31 Cb -0.12 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.59 2jvj s PHE 31 CO 0.32 -0.14 -0.07 1.14 -1.46 0.00 0.00 175.22 175.02 2jvj s GLN 32 N -4.10 2.65 -0.01 10.12 0.00 -1.26 -0.29 119.66 126.78 2jvj s GLN 32 Ca 0.36 -0.63 0.01 0.00 -0.00 0.00 0.00 55.36 55.10 2jvj s GLN 32 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 33.01 30.47 2jvj s GLN 32 CO 0.21 0.63 -0.04 0.00 0.00 0.00 0.00 175.29 176.10 2jvj s ALA 33 N -0.89 0.38 -0.12 2.60 0.00 0.69 -4.91 121.76 119.50 2jvj s ALA 33 Ca 0.14 -0.13 0.22 0.00 0.00 0.00 0.00 51.96 52.19 2jvj s ALA 33 Cb -0.11 -0.14 -0.21 0.00 0.00 0.00 0.00 23.12 22.66 2jvj s ALA 33 CO 0.04 0.06 0.70 0.00 0.00 0.00 0.00 175.76 176.57 2jvj n ALA 34 N 3.18 2.72 -2.38 0.00 0.00 -1.26 -1.16 120.51 121.61 2jvj n ALA 34 Ca -0.15 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 2jvj n ALA 34 Cb 0.57 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 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 -4.82 0.61 0.54 0.00 0.01 -1.26 -4.53 114.94 105.49 2jvj s ASN 35 Ca -0.05 -0.85 0.25 0.00 -0.71 0.00 0.00 52.86 51.51 2jvj s ASN 35 Cb 0.12 0.14 1.54 0.00 0.41 0.00 0.00 41.25 43.46 2jvj s ASN 35 CO 0.86 -0.47 2.15 1.23 -1.51 0.00 0.00 177.10 179.37 2jvj h GLY 36 N 3.57 0.00 1.51 0.66 0.00 -1.91 0.18 103.07 107.10 2jvj h GLY 36 Ca -0.34 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 2jvj h GLY 36 CO 0.58 0.00 -0.66 1.41 0.00 0.00 0.00 176.54 177.87 2jvj h LEU 37 N 0.00 0.57 -0.87 3.11 3.38 -1.97 0.55 115.31 120.08 2jvj h LEU 37 Ca -0.00 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2jvj h LEU 37 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2jvj h LEU 37 CO 0.01 1.07 0.07 -0.61 0.09 0.00 0.00 178.44 179.07 2jvj h GLN 38 N 0.35 0.91 -0.58 1.13 -0.00 -1.58 0.20 115.11 115.55 2jvj h GLN 38 Ca -0.02 -0.23 -0.03 0.00 -0.00 0.00 0.00 58.65 58.38 2jvj h GLN 38 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.56 2jvj h GLN 38 CO 0.12 0.86 0.25 0.00 0.00 0.00 0.00 178.83 180.06 2jvj h ALA 39 N 1.21 1.35 -0.17 3.38 0.00 -0.62 -1.39 119.26 123.04 2jvj h ALA 39 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2jvj h ALA 39 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jvj h ALA 39 CO 0.01 0.49 -0.37 1.25 0.00 0.00 0.00 179.25 180.64 2jvj h LEU 40 N 0.82 0.37 -0.01 0.00 5.85 -0.01 0.40 115.31 122.74 2jvj h LEU 40 Ca 0.20 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2jvj h LEU 40 Cb 0.13 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2jvj h LEU 40 CO -0.02 0.71 -0.21 0.44 -0.34 0.00 0.00 178.44 179.02 2jvj h ASP 41 N 0.30 -0.61 0.24 1.25 3.32 0.06 0.48 116.42 121.47 2jvj h ASP 41 Ca 0.03 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 2jvj h ASP 41 Cb 0.79 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2jvj h ASP 41 CO 0.06 -0.27 -0.36 0.40 -1.72 0.00 0.00 179.24 177.35 2jvj h ILE 42 N -0.33 1.29 -0.13 0.35 1.08 -0.87 0.84 117.51 119.75 2jvj h ILE 42 Ca 0.06 -1.38 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 2jvj h ILE 42 Cb 0.41 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 2jvj h ILE 42 CO -0.19 0.41 0.07 0.58 -0.69 0.00 0.00 178.15 178.32 2jvj h VAL 43 N 0.16 1.05 0.00 1.67 2.07 0.59 0.69 116.25 122.47 2jvj h VAL 43 Ca 0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2jvj h VAL 43 Cb 0.72 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2jvj h VAL 43 CO 0.05 0.05 -1.20 1.07 0.02 0.00 0.00 177.57 177.56 2jvj n THR 44 N -4.50 0.16 -0.05 2.57 5.66 0.08 -2.80 114.28 115.42 2jvj n THR 44 Ca -0.01 -0.30 -0.02 0.00 -3.05 0.00 0.00 64.05 60.67 2jvj n THR 44 Cb 0.10 0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.24 -3.43 116.57 116.04 2jvj h LYS 45 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2jvj h LYS 45 Cb 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 2jvj h LYS 45 CO 0.00 0.00 -2.27 0.39 -0.57 0.00 0.00 179.45 177.00 2jvj n GLU 46 N -4.08 0.68 -3.23 3.15 1.02 0.23 -5.03 120.64 113.37 2jvj n GLU 46 Ca -0.04 -0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 2jvj n GLU 46 Cb 0.14 -1.53 0.07 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.62 -2.74 -1.74 3.49 5.12 -0.31 -4.97 116.66 112.89 2jvj n ARG 47 Ca -0.25 0.85 -0.39 0.00 -1.93 0.00 0.00 57.85 56.12 2jvj n ARG 47 Cb 1.00 -5.74 0.03 0.00 -1.16 0.00 0.00 32.46 26.59 2jvj n ARG 47 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2jvj n PRO 48 N -3.30 1.93 0.09 5.56 -0.02 -1.26 -4.91 135.00 133.09 2jvj n PRO 48 Ca -0.10 0.70 -0.16 0.00 -2.02 0.00 0.00 63.50 61.92 2jvj n PRO 48 Cb 0.62 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 2jvj n PRO 48 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jvj h ASP 49 N 1.84 0.40 -3.36 2.55 5.19 -1.14 -3.45 116.42 118.45 2jvj h ASP 49 Ca -0.50 -0.45 -0.67 0.00 -0.62 0.00 0.00 57.03 54.79 2jvj h ASP 49 Cb 1.29 -0.13 -0.14 0.00 0.18 0.00 0.00 39.33 40.53 2jvj h ASP 49 CO 0.59 1.36 -0.64 -0.76 -3.12 0.00 0.00 179.24 176.66 2jvj s LEU 50 N -7.09 3.52 -0.22 1.55 2.01 -0.35 -1.48 118.68 116.61 2jvj s LEU 50 Ca -0.05 0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.11 2jvj s LEU 50 Cb 0.07 -1.99 0.06 0.00 0.01 0.00 0.00 46.19 44.34 2jvj s LEU 50 CO 0.88 0.30 -0.05 -0.69 1.01 0.00 0.00 176.35 177.79 2jvj s VAL 51 N -1.05 1.43 -0.36 -1.59 1.01 -0.18 0.80 120.40 120.46 2jvj s VAL 51 Ca 0.19 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2jvj s VAL 51 Cb -0.11 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2jvj s VAL 51 CO 0.09 -0.06 0.95 -0.76 0.00 0.00 0.00 175.10 175.32 2jvj s LEU 52 N 1.45 3.97 -0.07 3.92 1.43 0.40 0.43 118.68 130.22 2jvj s LEU 52 Ca -0.04 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2jvj s LEU 52 Cb -0.18 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2jvj s LEU 52 CO -0.07 -0.87 -0.12 -0.22 0.23 0.00 0.00 176.35 175.31 2jvj s LEU 53 N 3.52 1.62 -0.13 1.79 2.96 -0.45 0.10 118.68 128.08 2jvj s LEU 53 Ca 0.39 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2jvj s LEU 53 Cb -0.12 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 2jvj s LEU 53 CO 0.18 0.02 0.15 -0.62 -1.32 0.00 0.00 176.35 174.77 2jvj s ASP 54 N 0.73 6.37 0.00 3.68 2.15 0.27 -1.67 116.67 128.20 2jvj s ASP 54 Ca -0.13 0.44 0.22 0.00 0.43 0.00 0.00 52.55 53.50 2jvj s ASP 54 Cb -0.16 -2.08 -0.15 0.00 -0.30 0.00 0.00 42.92 40.24 2jvj s ASP 54 CO 0.03 0.35 0.88 0.80 -0.17 0.00 0.00 175.17 177.06 2jvj n MET 55 N 2.35 0.19 -0.07 4.34 0.00 -1.26 -3.35 117.12 119.31 2jvj n MET 55 Ca -0.19 -0.04 0.02 0.00 -0.00 0.00 0.00 57.70 57.49 2jvj n MET 55 Cb 0.54 -1.52 0.06 0.00 0.00 0.00 0.00 33.22 32.30 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 -1.74 1.33 -2.61 2.12 5.02 -1.26 -3.78 118.16 117.22 2jvj n LYS 56 Ca 0.02 -0.47 -0.43 0.00 -2.02 0.00 0.00 58.31 55.42 2jvj n LYS 56 Cb 0.40 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.79 4.61 -0.02 -0.18 -1.16 -1.25 -4.95 121.20 116.46 2jvj s ILE 57 Ca 0.09 1.91 -0.33 0.00 -0.51 0.00 0.00 60.65 61.81 2jvj s ILE 57 Cb 0.05 -4.23 -0.11 0.00 0.61 0.00 0.00 42.46 38.77 2jvj s ILE 57 CO 0.06 -0.07 1.87 -2.65 -2.81 0.00 0.00 174.94 171.33 2jvj n PRO 58 N 5.62 2.36 0.00 3.50 -0.02 -1.26 -3.32 135.00 141.87 2jvj n PRO 58 Ca 0.11 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2jvj n PRO 58 Cb 0.47 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 4.32 2.09 3.28 -1.23 0.00 -1.26 -4.66 105.19 107.73 2jvj n GLY 59 Ca 0.21 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 1.18 -0.55 1.61 -1.94 -1.21 -5.08 119.30 113.31 2jvj s MET 60 Ca 0.00 -1.56 -0.22 0.00 -1.71 0.00 0.00 55.69 52.20 2jvj s MET 60 Cb 0.00 -0.53 0.05 0.00 2.01 0.00 0.00 34.83 36.36 2jvj s MET 60 CO 0.00 -0.05 0.84 -0.51 -0.01 0.00 0.00 175.02 175.29 2jvj s ASP 61 N -3.22 6.28 0.54 3.03 1.01 -1.26 -4.28 116.67 118.77 2jvj s ASP 61 Ca 0.23 -0.62 0.31 0.00 0.71 0.00 0.00 52.55 53.18 2jvj s ASP 61 Cb 0.05 -2.39 1.48 0.00 1.01 0.00 0.00 42.92 43.07 2jvj s ASP 61 CO 0.05 -1.14 1.89 1.23 0.21 0.00 0.00 175.17 177.40 2jvj h GLY 62 N 10.60 0.00 0.08 0.21 0.00 -1.65 -0.04 103.07 112.27 2jvj h GLY 62 Ca -0.27 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.13 2jvj h GLY 62 CO 1.06 0.00 -0.22 1.19 0.00 0.00 0.00 176.54 178.57 2jvj h ILE 63 N 0.00 0.40 -0.36 2.60 6.09 -1.84 -0.05 117.51 124.35 2jvj h ILE 63 Ca 0.41 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.79 2jvj h ILE 63 Cb 1.68 0.40 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 2jvj h ILE 63 CO -0.00 0.00 -0.22 -0.33 -3.07 0.00 0.00 178.15 174.53 2jvj h GLU 64 N -0.19 0.70 -0.28 2.19 4.39 -1.39 -1.35 114.58 118.66 2jvj h GLU 64 Ca 0.17 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2jvj h GLU 64 Cb 0.44 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2jvj h GLU 64 CO -0.43 0.86 0.07 0.82 -1.16 0.00 0.00 179.01 179.17 2jvj h ILE 65 N 0.62 1.21 0.00 3.13 5.03 -1.24 -1.36 117.51 124.90 2jvj h ILE 65 Ca 0.09 -0.71 -0.03 0.00 -0.12 0.00 0.00 64.86 64.10 2jvj h ILE 65 Cb 0.70 1.15 -0.00 0.00 -3.03 0.00 0.00 36.82 35.64 2jvj h ILE 65 CO 0.05 0.23 -0.13 0.25 -0.68 0.00 0.00 178.15 177.88 2jvj h LEU 66 N 0.28 0.00 0.39 1.44 5.85 -0.91 -0.54 115.31 121.82 2jvj h LEU 66 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2jvj h LEU 66 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jvj h LEU 66 CO 0.00 0.13 -0.25 0.11 -0.34 0.00 0.00 178.44 178.09 2jvj h LYS 67 N 0.00 -0.59 -0.29 1.25 1.57 -0.87 -1.99 116.57 115.65 2jvj h LYS 67 Ca -0.00 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jvj h LYS 67 Cb 0.84 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2jvj h LYS 67 CO 0.02 -0.40 0.16 -0.09 -0.57 0.00 0.00 179.45 178.57 2jvj h ARG 68 N -0.62 0.39 -0.12 3.15 9.65 -0.74 -1.90 114.38 124.19 2jvj h ARG 68 Ca -0.04 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2jvj h ARG 68 Cb 0.51 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2jvj h ARG 68 CO 0.04 0.29 0.01 0.52 2.80 0.00 0.00 179.97 183.63 2jvj h MET 69 N 0.40 0.05 -0.39 0.20 2.86 -0.82 0.47 114.93 117.70 2jvj h MET 69 Ca 0.10 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2jvj h MET 69 Cb 0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2jvj h MET 69 CO -0.02 0.03 0.20 0.87 1.06 0.00 0.00 176.91 179.06 2jvj h LYS 70 N 0.05 0.54 -0.14 1.72 1.79 -0.87 0.26 116.57 119.92 2jvj h LYS 70 Ca 0.05 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2jvj h LYS 70 Cb 0.06 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2jvj h LYS 70 CO -0.09 0.41 -0.17 0.28 -1.08 0.00 0.00 179.45 178.81 2jvj h VAL 71 N 0.54 1.19 -0.07 0.50 2.07 -0.40 -1.84 116.25 118.25 2jvj h VAL 71 Ca 0.14 -0.87 -0.20 0.00 0.82 0.00 0.00 66.70 66.59 2jvj h VAL 71 Cb 0.04 1.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2jvj h VAL 71 CO -0.02 0.27 -0.73 0.40 0.02 0.00 0.00 177.57 177.51 2jvj h ILE 72 N 0.21 1.33 0.00 4.57 1.08 0.19 -3.45 117.51 121.45 2jvj h ILE 72 Ca 0.04 -2.02 0.00 0.00 -0.39 0.00 0.00 64.86 62.49 2jvj h ILE 72 Cb 0.43 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 2jvj h ILE 72 CO 0.03 0.62 0.00 0.47 -0.69 0.00 0.00 178.15 178.57 2jvj n ASP 73 N -4.06 0.39 0.00 1.72 8.00 -0.62 -4.98 116.55 116.99 2jvj n ASP 73 Ca -0.09 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2jvj n ASP 73 Cb 0.73 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2jvj n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jvj n GLU 74 N -3.06 -0.11 0.00 -1.24 1.02 -0.70 -4.75 120.64 111.80 2jvj n GLU 74 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2jvj n GLU 74 Cb 0.00 -2.99 -0.00 0.00 -0.02 0.00 0.00 31.44 28.43 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 -0.06 0.34 -4.67 1.62 3.02 -1.26 -5.00 115.26 109.24 2jvj n ASN 75 Ca 0.00 -0.67 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 2jvj n ASN 75 Cb 0.03 0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 2jvj n ASN 75 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2jvj s ILE 76 N -0.73 4.24 -0.44 2.41 2.07 -1.26 -4.98 121.20 122.51 2jvj s ILE 76 Ca 0.00 1.54 -0.25 0.00 -1.41 0.00 0.00 60.65 60.54 2jvj s ILE 76 Cb 0.00 -3.99 0.02 0.00 0.13 0.00 0.00 42.46 38.63 2jvj s ILE 76 CO 0.01 -0.06 0.87 -0.13 -1.91 0.00 0.00 174.94 173.72 2jvj s ARG 77 N 2.83 3.56 -0.04 3.50 1.81 -0.55 -4.96 118.95 125.09 2jvj s ARG 77 Ca 0.56 0.15 0.05 0.00 -1.72 0.00 0.00 55.73 54.78 2jvj s ARG 77 Cb -0.24 -3.90 -0.02 0.00 -0.45 0.00 0.00 34.95 30.34 2jvj s ARG 77 CO 0.19 -1.12 -0.21 0.14 -0.68 0.00 0.00 175.30 173.63 2jvj s VAL 78 N 3.52 2.50 -0.02 3.52 -7.23 -1.26 -1.01 120.40 120.43 2jvj s VAL 78 Ca 0.34 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2jvj s VAL 78 Cb -0.11 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.89 2jvj s VAL 78 CO 0.23 0.58 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.86 2jvj s ILE 79 N -0.52 0.88 -0.24 -0.62 -1.09 0.17 -1.36 121.20 118.41 2jvj s ILE 79 Ca 0.07 -0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 57.94 2jvj s ILE 79 Cb -0.11 -0.75 -0.05 0.00 -1.58 0.00 0.00 42.46 39.97 2jvj s ILE 79 CO 0.01 0.26 0.14 -0.51 -1.23 0.00 0.00 174.94 173.60 2jvj s ILE 80 N -0.11 5.11 -0.19 2.92 2.07 0.04 -1.35 121.20 129.69 2jvj s ILE 80 Ca 0.02 0.09 0.17 0.00 -1.41 0.00 0.00 60.65 59.52 2jvj s ILE 80 Cb -0.06 -3.39 0.41 0.00 0.13 0.00 0.00 42.46 39.55 2jvj s ILE 80 CO -0.00 0.34 1.29 1.15 -1.91 0.00 0.00 174.94 175.81 2jvj n MET 81 N 4.47 2.29 0.00 3.50 0.00 -0.67 -2.18 117.12 124.52 2jvj n MET 81 Ca -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 57.70 54.89 2jvj n MET 81 Cb 0.52 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.08 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 -0.82 0.00 -1.48 3.17 5.66 -1.22 -4.44 114.28 115.15 2jvj n THR 82 Ca 0.18 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.75 2jvj n THR 82 Cb 0.75 -0.40 -0.10 0.00 -1.55 0.00 0.00 70.33 69.04 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 0.58 0.29 1.79 0.00 -1.26 -3.22 120.51 115.69 2jvj n ALA 83 Ca 0.00 -0.38 0.17 0.00 0.00 0.00 0.00 53.44 53.24 2jvj n ALA 83 Cb 0.00 -2.57 0.88 0.00 0.00 0.00 0.00 19.45 17.77 2jvj n ALA 83 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2jvj h TYR 84 N 13.92 0.00 0.00 0.00 -0.00 -1.91 0.73 116.97 129.71 2jvj h TYR 84 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.58 2jvj h TYR 84 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.04 2jvj h TYR 84 CO 1.02 0.05 0.00 0.41 -0.00 0.00 0.00 178.16 179.63 2jvj n GLY 85 N -0.65 -0.99 0.33 0.10 0.00 -1.26 -2.03 105.19 100.68 2jvj n GLY 85 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.03 2jvj n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jvj n GLU 86 N -1.28 1.44 0.22 1.61 4.07 0.25 -2.90 120.64 124.05 2jvj n GLU 86 Ca 0.10 -0.65 0.18 0.00 -0.06 0.00 0.00 57.16 56.73 2jvj n GLU 86 Cb 0.17 -1.44 0.85 0.00 -0.06 0.00 0.00 31.44 30.96 2jvj n GLU 86 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 2jvj h LEU 87 N 1.48 0.00 0.40 4.31 -0.00 -1.55 0.48 115.31 120.44 2jvj h LEU 87 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2jvj h LEU 87 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2jvj h LEU 87 CO 0.00 0.00 -0.19 -0.78 -0.00 0.00 0.00 178.44 177.47 2jvj h ASP 88 N 0.00 -0.46 0.00 0.17 3.58 -1.79 -3.22 116.42 114.71 2jvj h ASP 88 Ca 0.08 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2jvj h ASP 88 Cb 0.51 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 2jvj h ASP 88 CO -0.00 -0.04 -0.30 -0.03 -2.88 0.00 0.00 179.24 175.99 2jvj h MET 89 N -1.12 0.00 -0.16 0.28 4.05 -1.65 -3.29 114.93 113.03 2jvj h MET 89 Ca -0.06 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2jvj h MET 89 Cb 0.42 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2jvj h MET 89 CO 0.09 0.21 0.06 0.00 0.23 0.00 0.00 176.91 177.50 2jvj h ALA 90 N -0.84 0.21 0.23 0.39 0.00 -0.31 -1.78 119.26 117.16 2jvj h ALA 90 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jvj h ALA 90 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jvj h ALA 90 CO -0.02 -0.20 -0.11 0.37 0.00 0.00 0.00 179.25 179.29 2jvj h GLN 91 N 0.10 -0.30 0.00 0.00 5.75 -1.64 -2.01 115.11 117.02 2jvj h GLN 91 Ca 0.05 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2jvj h GLN 91 Cb 0.18 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.80 2jvj h GLN 91 CO -0.00 -0.04 0.00 0.93 -2.65 0.00 0.00 178.83 177.07 2jvj h GLU 92 N -1.02 0.00 -0.26 1.69 5.08 -1.61 -1.63 114.58 116.83 2jvj h GLU 92 Ca -0.03 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2jvj h GLU 92 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2jvj h GLU 92 CO 0.05 0.00 0.18 0.77 -1.00 0.00 0.00 179.01 179.01 2jvj h SER 93 N 0.00 0.14 0.00 1.42 0.02 -1.42 -3.46 113.55 110.25 2jvj h SER 93 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jvj h SER 93 Cb 0.32 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jvj h SER 93 CO 0.00 0.09 0.00 1.17 -1.14 0.00 0.00 176.83 176.95 2jvj n LYS 94 N -4.49 0.00 0.00 3.45 4.81 -0.63 -5.02 118.16 116.29 2jvj n LYS 94 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2jvj n LYS 94 Cb 0.22 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.27 2jvj n LYS 94 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jvj n GLU 95 N -1.75 0.00 0.33 1.64 4.07 -1.13 -4.96 120.64 118.84 2jvj n GLU 95 Ca 0.00 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.29 2jvj n GLU 95 Cb 0.00 0.00 1.04 0.00 -0.06 0.00 0.00 31.44 32.42 2jvj n GLU 95 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2jvj h LEU 96 N 0.00 0.00 -0.35 4.31 4.07 -1.84 0.22 115.31 121.73 2jvj h LEU 96 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jvj h LEU 96 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2jvj h LEU 96 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2jvj n GLY 97 N -1.14 -0.08 1.64 0.83 0.00 -0.75 -3.76 105.19 101.92 2jvj n GLY 97 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.26 -1.44 -1.33 4.61 0.00 0.78 -4.23 120.51 118.65 2jvj n ALA 98 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jvj n ALA 98 Cb 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.00 -4.86 0.00 7.99 -0.47 -4.80 117.00 114.87 2jvj n LEU 99 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.67 2jvj n LEU 99 Cb 0.25 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.51 2jvj n LEU 99 CO 0.00 0.00 0.20 0.42 -1.51 0.00 0.00 177.39 176.51 2jvj s THR 100 N 0.28 4.92 0.36 -5.08 -4.23 -1.26 -4.78 115.64 105.85 2jvj s THR 100 Ca 0.00 0.61 0.09 0.00 -1.18 0.00 0.00 61.69 61.21 2jvj s THR 100 Cb 0.00 -3.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.10 2jvj s THR 100 CO 0.00 0.11 -0.06 -1.38 -0.54 0.00 0.00 174.62 172.75 2jvj s HIS 101 N -1.61 2.44 -0.30 3.99 -3.43 -1.25 -0.78 115.29 114.36 2jvj s HIS 101 Ca 0.41 -0.53 -0.16 0.00 -0.80 0.00 0.00 55.06 53.97 2jvj s HIS 101 Cb -0.13 -1.48 0.17 0.00 -1.43 0.00 0.00 32.58 29.71 2jvj s HIS 101 CO 0.20 0.54 1.17 0.12 -2.00 0.00 0.00 174.74 174.78 2jvj s PHE 102 N -2.63 -0.22 -0.69 0.38 5.36 -0.93 -4.98 117.98 114.28 2jvj s PHE 102 Ca 0.33 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.52 2jvj s PHE 102 Cb 0.04 0.07 0.41 0.00 -0.34 0.00 0.00 43.02 43.20 2jvj s PHE 102 CO 0.17 -0.12 1.88 0.00 -1.46 0.00 0.00 175.22 175.69 2jvj n ALA 103 N 5.45 6.19 -2.71 11.12 0.00 -1.20 -3.98 120.51 135.38 2jvj n ALA 103 Ca -0.07 -3.82 -0.13 0.00 0.00 0.00 0.00 53.44 49.42 2jvj n ALA 103 Cb 0.55 -1.63 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.88 0.61 -0.61 0.00 1.02 -1.26 -4.91 119.74 110.71 2jvj s LYS 104 Ca 0.57 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 2jvj s LYS 104 Cb 0.47 -0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 2jvj s LYS 104 CO -0.18 0.04 2.22 -2.14 -0.92 0.00 0.00 175.35 174.37 2jvj s PRO 105 N -2.04 2.20 0.46 -1.68 0.02 -1.26 -4.94 135.00 127.76 2jvj s PRO 105 Ca -0.05 0.90 -0.01 0.00 0.02 0.00 0.00 61.00 61.86 2jvj s PRO 105 Cb -0.07 -4.60 -0.01 0.00 0.02 0.00 0.00 34.50 29.84 2jvj s PRO 105 CO -0.01 -3.32 0.69 -0.59 -0.33 0.00 0.00 177.00 173.45 2jvj s PHE 106 N 11.56 3.30 0.15 6.54 -0.12 -1.26 -5.07 117.98 133.08 2jvj s PHE 106 Ca 0.86 0.36 -0.27 0.00 -0.05 0.00 0.00 56.93 57.83 2jvj s PHE 106 Cb -0.14 -2.31 -0.07 0.00 -0.63 0.00 0.00 43.02 39.87 2jvj s PHE 106 CO 0.19 -0.34 0.83 0.34 -0.05 0.00 0.00 175.22 176.19 2jvj s ASP 107 N -4.19 7.42 0.50 1.98 -1.08 -1.26 -4.96 116.67 115.09 2jvj s ASP 107 Ca 0.48 1.69 0.21 0.00 -0.52 0.00 0.00 52.55 54.41 2jvj s ASP 107 Cb -0.10 -2.53 1.28 0.00 -1.46 0.00 0.00 42.92 40.11 2jvj s ASP 107 CO 0.39 0.13 1.99 0.16 0.52 0.00 0.00 175.17 178.37 2jvj h ILE 108 N 3.51 0.79 -0.77 4.11 -2.65 -2.00 -0.16 117.51 120.35 2jvj h ILE 108 Ca -0.46 -0.04 0.10 0.00 1.03 0.00 0.00 64.86 65.49 2jvj h ILE 108 Cb 1.21 0.65 -0.07 0.00 -2.05 0.00 0.00 36.82 36.55 2jvj h ILE 108 CO 0.68 0.02 0.41 -0.78 0.03 0.00 0.00 178.15 178.51 2jvj h ASP 109 N 0.12 0.55 -0.96 2.16 3.58 -1.99 0.16 116.42 120.05 2jvj h ASP 109 Ca 0.26 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.78 2jvj h ASP 109 Cb 0.85 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.80 2jvj h ASP 109 CO -0.03 0.31 0.64 -0.08 -2.88 0.00 0.00 179.24 177.19 2jvj h GLU 110 N 0.68 1.24 0.10 0.28 4.57 -1.42 -1.46 114.58 118.58 2jvj h GLU 110 Ca 0.38 -0.07 -0.28 0.00 -1.18 0.00 0.00 59.36 58.20 2jvj h GLU 110 Cb 0.39 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2jvj h GLU 110 CO -0.27 0.82 -1.37 0.97 -1.18 0.00 0.00 179.01 177.98 2jvj h ILE 111 N 1.27 1.34 -0.37 2.32 6.09 -1.05 -1.06 117.51 126.05 2jvj h ILE 111 Ca 0.36 -2.97 -0.14 0.00 -1.37 0.00 0.00 64.86 60.75 2jvj h ILE 111 Cb -0.09 2.83 -0.01 0.00 0.47 0.00 0.00 36.82 40.01 2jvj h ILE 111 CO -0.09 0.85 -0.33 0.08 -3.07 0.00 0.00 178.15 175.58 2jvj h ARG 112 N 0.06 0.84 -0.36 2.19 0.11 -0.66 -0.23 114.38 116.33 2jvj h ARG 112 Ca -0.18 -0.41 -0.10 0.00 0.10 0.00 0.00 59.98 59.40 2jvj h ARG 112 Cb 1.97 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.04 2jvj h ARG 112 CO 0.17 1.04 -0.17 0.22 0.10 0.00 0.00 179.97 181.34 2jvj h ASP 113 N 0.70 0.77 -0.58 0.08 3.58 -1.30 -1.77 116.42 117.89 2jvj h ASP 113 Ca 0.07 -0.40 -0.09 0.00 0.42 0.00 0.00 57.03 57.03 2jvj h ASP 113 Cb 0.89 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2jvj h ASP 113 CO 0.08 1.00 0.01 0.00 -2.88 0.00 0.00 179.24 177.45 2jvj h ALA 114 N 0.79 0.89 -0.02 -0.78 0.00 -0.99 0.24 119.26 119.39 2jvj h ALA 114 Ca 0.08 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2jvj h ALA 114 Cb 0.71 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jvj h ALA 114 CO 0.05 0.66 -0.75 -0.39 0.00 0.00 0.00 179.25 178.82 2jvj h VAL 115 N 0.95 1.47 0.00 0.00 -1.51 -1.05 0.36 116.25 116.47 2jvj h VAL 115 Ca 0.17 -2.38 -0.06 0.00 -1.23 0.00 0.00 66.70 63.20 2jvj h VAL 115 Cb 0.53 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 2jvj h VAL 115 CO 0.03 0.69 -0.28 0.50 -1.23 0.00 0.00 177.57 177.28 2jvj h LYS 116 N 0.10 0.00 0.18 5.19 3.64 -1.01 0.84 116.57 125.51 2jvj h LYS 116 Ca -0.02 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 2jvj h LYS 116 Cb 1.32 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2jvj h LYS 116 CO 0.11 0.28 -1.78 -0.22 -2.27 0.00 0.00 179.45 175.57 2jvj h LYS 117 N 0.00 0.38 0.00 1.90 1.63 -0.15 -3.34 116.57 117.00 2jvj h LYS 117 Ca -0.00 -0.66 -0.14 0.00 -0.85 0.00 0.00 60.65 59.00 2jvj h LYS 117 Cb 0.79 0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 2jvj h LYS 117 CO 0.04 1.31 -0.68 -0.92 -3.45 0.00 0.00 179.45 175.75 2jvj h TYR 118 N 0.10 0.00 -3.20 1.91 3.20 -0.25 -3.37 116.97 115.36 2jvj h TYR 118 Ca -0.35 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 60.87 2jvj h TYR 118 Cb 2.09 0.00 -0.40 0.00 1.54 0.00 0.00 36.73 39.96 2jvj h TYR 118 CO 0.10 0.68 -0.43 -0.51 -1.64 0.00 0.00 178.16 176.36 2jvj s LEU 119 N -7.35 5.01 0.12 2.82 1.43 0.28 -4.95 118.68 116.04 2jvj s LEU 119 Ca -0.01 -3.70 -0.25 0.00 -1.03 0.00 0.00 54.13 49.15 2jvj s LEU 119 Cb 0.12 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2jvj s LEU 119 CO 0.77 -0.14 1.65 1.55 0.23 0.00 0.00 176.35 180.41 2jvj h PRO 120 N 5.74 -0.33 0.00 1.29 0.13 -1.73 -3.42 132.00 133.68 2jvj h PRO 120 Ca 0.12 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2jvj h PRO 120 Cb 0.79 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2jvj h PRO 120 CO 0.75 -0.22 0.00 -0.11 -0.23 0.00 0.00 178.00 178.20 2jvj n LEU 121 N -5.34 0.00 0.00 1.56 0.00 -1.26 -4.66 117.00 107.30 2jvj n LEU 121 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.96 2jvj n LEU 121 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.68 2jvj n LEU 121 CO 0.23 0.00 0.00 2.29 0.00 0.00 0.00 177.39 179.91 2jvj n LYS 122 N 0.00 0.00 0.00 1.96 2.85 -1.26 -5.07 118.16 116.64 2jvj n LYS 122 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2jvj n LYS 122 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2jvj n LYS 122 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jvj n SER 123 N -0.33 0.00 0.00 -5.58 2.88 -1.26 -5.07 113.62 104.26 2jvj n SER 123 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jvj n SER 123 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jvj n SER 123 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jvj n ASN 124 N -0.21 0.00 -2.68 -3.46 2.85 -1.26 -4.84 115.26 105.66 2jvj n ASN 124 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 2jvj n ASN 124 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 2jvj n ASN 124 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2jvj n LEU 125 N 0.00 -7.18 -4.28 1.20 0.00 -1.26 -5.07 117.00 100.41 2jvj n LEU 125 Ca 0.00 1.82 -0.15 0.00 0.00 0.00 0.00 56.01 57.68 2jvj n LEU 125 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 43.42 40.01 2jvj n LEU 125 CO 0.00 -3.60 -0.32 -1.83 0.00 0.00 0.00 177.39 171.64 2jvj s GLU 126 N -1.21 1.23 -0.12 1.96 -1.05 -1.26 -5.15 118.70 113.10 2jvj s GLU 126 Ca -0.13 -1.61 0.03 0.00 -0.15 0.00 0.00 54.97 53.11 2jvj s GLU 126 Cb 0.01 -0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.30 2jvj s GLU 126 CO 0.78 -0.13 -0.22 -3.38 0.95 0.00 0.00 175.26 173.26 2jvj s HIS 127 N -3.58 2.63 -0.58 4.83 -3.43 -1.26 -5.07 115.29 108.83 2jvj s HIS 127 Ca 0.27 -1.09 -0.27 0.00 -0.80 0.00 0.00 55.06 53.17 2jvj s HIS 127 Cb 0.06 -1.77 -0.01 0.00 -1.43 0.00 0.00 32.58 29.43 2jvj s HIS 127 CO 0.07 -0.46 1.76 -1.01 -2.00 0.00 0.00 174.74 173.10 2jvj s HIS 128 N 0.51 1.79 -0.22 0.38 0.09 -1.26 -4.93 115.29 111.66 2jvj s HIS 128 Ca -0.14 0.68 -0.29 0.00 -0.00 0.00 0.00 55.06 55.31 2jvj s HIS 128 Cb -0.17 -4.16 -0.03 0.00 -0.00 0.00 0.00 32.58 28.22 2jvj s HIS 128 CO 0.05 -2.33 1.71 -1.58 -0.00 0.00 0.00 174.74 172.59 2jvj s HIS 129 N 8.26 1.94 -0.03 1.40 5.04 -1.26 -4.98 115.29 125.67 2jvj s HIS 129 Ca 0.65 0.48 -0.11 0.00 -1.54 0.00 0.00 55.06 54.54 2jvj s HIS 129 Cb -0.13 -4.02 -0.05 0.00 0.04 0.00 0.00 32.58 28.42 2jvj s HIS 129 CO 0.22 -3.21 0.31 -1.01 -2.34 0.00 0.00 174.74 168.71 2jvj s HIS 130 N 5.58 3.66 -0.64 3.88 3.76 -1.26 -5.02 115.29 125.25 2jvj s HIS 130 Ca 0.76 0.78 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 2jvj s HIS 130 Cb -0.26 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.29 2jvj s HIS 130 CO 0.31 0.66 1.71 -1.58 -0.85 0.00 0.00 174.74 174.98 2jvj s HIS 131 N -1.13 1.83 0.00 1.40 2.46 -1.26 -5.33 115.29 113.26 2jvj s HIS 131 Ca 0.22 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2jvj s HIS 131 Cb -0.15 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.07 2jvj s HIS 131 CO 0.11 -2.25 0.00 1.58 -2.47 0.00 0.00 174.74 171.71