#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvw s ALA 2 N 0.00 3.78 0.02 3.04 0.00 -1.26 -5.11 121.76 122.23 2jvw s ALA 2 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 2jvw s ALA 2 Cb 0.00 -2.16 0.08 0.00 0.00 0.00 0.00 23.12 21.04 2jvw s ALA 2 CO 0.00 0.64 0.70 -0.48 0.00 0.00 0.00 175.76 176.62 2jvw s LEU 3 N -2.34 -0.57 -0.08 0.00 2.34 -1.26 -5.17 118.68 111.60 2jvw s LEU 3 Ca 0.37 0.37 -0.07 0.00 0.06 0.00 0.00 54.13 54.86 2jvw s LEU 3 Cb -0.13 2.45 -0.04 0.00 -0.56 0.00 0.00 46.19 47.91 2jvw s LEU 3 CO 0.22 -0.71 0.18 0.27 -1.06 0.00 0.00 176.35 175.25 2jvw s ILE 4 N -2.26 5.43 -1.03 1.48 -4.36 -1.26 -5.03 121.20 114.17 2jvw s ILE 4 Ca -0.04 0.21 -0.23 0.00 -0.26 0.00 0.00 60.65 60.33 2jvw s ILE 4 Cb -0.00 -3.47 0.02 0.00 1.25 0.00 0.00 42.46 40.26 2jvw s ILE 4 CO -0.01 0.55 1.63 -0.04 0.24 0.00 0.00 174.94 177.31 2jvw s MET 5 N -1.24 3.32 -0.72 0.37 -1.94 -1.26 -4.93 119.30 112.90 2jvw s MET 5 Ca 0.19 -1.01 -0.26 0.00 -1.71 0.00 0.00 55.69 52.89 2jvw s MET 5 Cb -0.13 -5.30 -0.01 0.00 2.01 0.00 0.00 34.83 31.41 2jvw s MET 5 CO 0.08 -2.60 1.69 0.95 -0.01 0.00 0.00 175.02 175.14 2jvw s THR 6 N 6.48 3.50 -1.82 2.05 -4.23 -1.26 -3.77 115.64 116.59 2jvw s THR 6 Ca 0.54 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2jvw s THR 6 Cb -0.01 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2jvw s THR 6 CO -0.04 -1.24 0.00 0.00 -0.54 0.00 0.00 174.62 172.79 2jvw n GLN 7 N 9.17 -1.33 -2.72 3.99 6.02 -1.26 -4.93 117.38 126.32 2jvw n GLN 7 Ca 0.20 1.06 -0.42 0.00 -0.01 0.00 0.00 57.00 57.82 2jvw n GLN 7 Cb 0.50 -5.41 -0.03 0.00 1.02 0.00 0.00 30.24 26.32 2jvw n GLN 7 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2jvw s GLN 8 N -3.98 3.42 -0.62 -1.09 0.74 -1.25 -4.97 119.66 111.91 2jvw s GLN 8 Ca 0.00 -1.08 -0.15 0.00 0.05 0.00 0.00 55.36 54.18 2jvw s GLN 8 Cb 0.00 -4.78 0.16 0.00 1.10 0.00 0.00 33.01 29.48 2jvw s GLN 8 CO 0.00 -2.00 0.57 -0.80 -0.55 0.00 0.00 175.29 172.52 2jvw s ASN 9 N 4.11 6.34 -0.10 6.67 0.02 -1.26 -5.04 114.94 125.67 2jvw s ASN 9 Ca 0.35 -2.05 0.02 0.00 -1.02 0.00 0.00 52.86 50.16 2jvw s ASN 9 Cb -0.06 -2.21 0.01 0.00 0.02 0.00 0.00 41.25 39.01 2jvw s ASN 9 CO -0.01 -0.77 -0.15 0.20 0.02 0.00 0.00 177.10 176.38 2jvw s ASN 10 N 3.17 2.41 0.53 -1.22 0.01 -1.26 -4.97 114.94 113.61 2jvw s ASN 10 Ca 0.07 -0.42 0.35 0.00 -0.71 0.00 0.00 52.86 52.15 2jvw s ASN 10 Cb -0.24 -1.08 1.85 0.00 0.41 0.00 0.00 41.25 42.19 2jvw s ASN 10 CO -0.00 0.03 2.08 1.55 -1.51 0.00 0.00 177.10 179.24 2jvw h PRO 11 N 7.32 0.00 -0.38 -0.60 0.13 -1.98 -1.79 132.00 134.71 2jvw h PRO 11 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jvw h PRO 11 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jvw h PRO 11 CO 0.49 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.54 2jvw n LEU 12 N -2.78 0.88 0.00 1.56 4.77 -1.26 -4.03 117.00 116.14 2jvw n LEU 12 Ca -0.02 -0.44 0.09 0.00 -0.03 0.00 0.00 56.01 55.61 2jvw n LEU 12 Cb 0.10 -0.22 0.56 0.00 -2.33 0.00 0.00 43.42 41.53 2jvw n LEU 12 CO 0.18 0.19 0.81 1.57 -1.33 0.00 0.00 177.39 178.80 2jvw n HIS 13 N -0.12 0.00 -1.49 -1.77 -0.00 -0.67 -4.90 115.22 106.27 2jvw n HIS 13 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2jvw n HIS 13 Cb 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 2jvw n HIS 13 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jvw n GLY 14 N 0.59 -0.44 2.94 1.57 0.00 -1.26 -5.10 105.19 103.49 2jvw n GLY 14 Ca 0.14 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2jvw n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jvw s ILE 15 N -2.21 0.54 0.59 -0.61 1.01 -1.26 -5.16 121.20 114.10 2jvw s ILE 15 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2jvw s ILE 15 Cb 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2jvw s ILE 15 CO 0.00 0.19 0.91 0.42 0.00 0.00 0.00 174.94 176.46 2jvw s THR 16 N 0.37 3.83 0.53 2.92 -4.23 -1.26 -4.90 115.64 112.90 2jvw s THR 16 Ca -0.05 0.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.79 2jvw s THR 16 Cb -0.09 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.57 2jvw s THR 16 CO 0.00 -0.56 2.08 0.25 -0.54 0.00 0.00 174.62 175.85 2jvw h LEU 17 N -0.18 0.00 0.73 4.79 5.85 -2.01 -0.58 115.31 123.90 2jvw h LEU 17 Ca -0.45 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2jvw h LEU 17 Cb 1.25 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.28 2jvw h LEU 17 CO 0.61 0.00 -0.35 -0.61 -0.34 0.00 0.00 178.44 177.75 2jvw h GLN 18 N 0.00 -0.94 -0.38 1.25 4.15 -1.99 -0.30 115.11 116.90 2jvw h GLN 18 Ca 0.12 0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 2jvw h GLN 18 Cb 0.50 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 2jvw h GLN 18 CO -0.00 -0.61 0.01 -0.22 -1.93 0.00 0.00 178.83 176.08 2jvw h LYS 19 N -1.15 0.60 0.43 1.69 3.11 -1.89 -1.25 116.57 118.11 2jvw h LYS 19 Ca -0.10 -0.13 -0.01 0.00 -2.81 0.00 0.00 60.65 57.60 2jvw h LYS 19 Cb 0.77 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 2jvw h LYS 19 CO 0.16 0.61 -0.37 1.25 -2.81 0.00 0.00 179.45 178.29 2jvw h LEU 20 N 0.57 -1.00 -0.88 5.20 6.46 -1.02 -1.06 115.31 123.58 2jvw h LEU 20 Ca 0.12 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2jvw h LEU 20 Cb 0.35 0.33 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2jvw h LEU 20 CO 0.01 -0.53 0.37 0.25 -0.62 0.00 0.00 178.44 177.92 2jvw h LEU 21 N -0.81 1.08 -0.45 2.25 5.85 -0.92 -2.63 115.31 119.67 2jvw h LEU 21 Ca -0.04 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.63 2jvw h LEU 21 Cb 0.71 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 2jvw h LEU 21 CO -0.03 0.92 0.02 0.74 -0.34 0.00 0.00 178.44 179.75 2jvw h THR 22 N 1.17 0.67 -0.55 1.05 2.02 -1.01 0.11 112.91 116.37 2jvw h THR 22 Ca 0.28 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.50 2jvw h THR 22 Cb 0.14 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 2jvw h THR 22 CO -0.03 0.02 0.15 -0.33 0.37 0.00 0.00 175.52 175.71 2jvw h GLU 23 N 0.14 0.30 -0.77 6.66 4.39 -0.85 0.45 114.58 124.90 2jvw h GLU 23 Ca 0.23 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 2jvw h GLU 23 Cb 0.33 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2jvw h GLU 23 CO -0.36 0.20 0.27 -0.07 -1.16 0.00 0.00 179.01 177.89 2jvw h LEU 24 N 0.31 1.09 -0.27 1.33 3.38 -0.86 -2.10 115.31 118.18 2jvw h LEU 24 Ca 0.28 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 2jvw h LEU 24 Cb 0.37 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jvw h LEU 24 CO -0.33 0.99 -0.62 0.58 0.09 0.00 0.00 178.44 179.16 2jvw h VAL 25 N 1.13 1.28 -0.15 1.22 2.07 -0.29 0.25 116.25 121.76 2jvw h VAL 25 Ca 0.25 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 2jvw h VAL 25 Cb 0.27 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2jvw h VAL 25 CO -0.01 0.58 -0.37 -0.33 0.02 0.00 0.00 177.57 177.46 2jvw h GLU 26 N 0.62 0.31 0.01 1.57 5.08 -0.82 -2.65 114.58 118.70 2jvw h GLU 26 Ca -0.01 -0.14 -0.41 0.00 -1.00 0.00 0.00 59.36 57.80 2jvw h GLU 26 Cb 1.23 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 2jvw h GLU 26 CO 0.13 0.64 -2.33 0.72 -1.00 0.00 0.00 179.01 177.18 2jvw n HIS 27 N -4.05 0.22 -0.08 4.33 8.25 -0.80 -4.80 115.22 118.28 2jvw n HIS 27 Ca -0.01 0.08 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 2jvw n HIS 27 Cb 0.46 -1.02 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 2jvw n HIS 27 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jvw n TYR 28 N -4.00 0.63 0.00 4.41 4.01 0.74 -5.09 117.16 117.87 2jvw n TYR 28 Ca -0.48 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2jvw n TYR 28 Cb 0.89 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 2jvw n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jvw n GLY 29 N 1.54 1.85 0.32 2.72 0.00 -0.42 -4.47 105.19 106.73 2jvw n GLY 29 Ca -0.13 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 2jvw n GLY 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jvw h TRP 30 N 0.00 1.10 0.14 1.61 4.06 -1.86 -0.46 115.95 120.55 2jvw h TRP 30 Ca 0.00 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.94 2jvw h TRP 30 Cb 0.00 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 27.78 2jvw h TRP 30 CO 0.00 0.76 -0.27 0.93 -3.56 0.00 0.00 178.44 176.31 2jvw h GLU 31 N 1.11 -0.48 -0.28 0.49 4.39 -1.87 -0.82 114.58 117.13 2jvw h GLU 31 Ca 0.28 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.97 2jvw h GLU 31 Cb 0.03 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2jvw h GLU 31 CO -0.05 -0.32 0.02 0.93 -1.16 0.00 0.00 179.01 178.44 2jvw h GLU 32 N -0.49 0.48 -0.59 2.33 3.07 -1.74 -3.09 114.58 114.54 2jvw h GLU 32 Ca 0.02 -0.14 0.07 0.00 -0.50 0.00 0.00 59.36 58.81 2jvw h GLU 32 Cb 0.51 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 2jvw h GLU 32 CO -0.14 0.61 0.40 -0.07 -1.40 0.00 0.00 179.01 178.41 2jvw h LEU 33 N 0.28 0.47 0.00 1.33 3.38 -0.92 0.19 115.31 120.04 2jvw h LEU 33 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jvw h LEU 33 Cb 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jvw h LEU 33 CO 0.01 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 2jvw n SER 34 N -4.48 0.00 -0.04 -0.43 3.41 -0.33 -1.76 113.62 110.00 2jvw n SER 34 Ca 0.09 0.43 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 2jvw n SER 34 Cb 0.26 -0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 63.62 2jvw n SER 34 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2jvw n TYR 35 N -1.47 0.97 -0.11 7.33 4.01 0.63 -3.09 117.16 125.43 2jvw n TYR 35 Ca 0.04 0.23 -0.06 0.00 -0.16 0.00 0.00 57.90 57.96 2jvw n TYR 35 Cb 0.17 -1.12 0.02 0.00 -0.31 0.00 0.00 39.34 38.10 2jvw n TYR 35 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 2jvw h MET 36 N -0.13 0.27 -3.74 -0.72 2.86 -1.19 -3.36 114.93 108.93 2jvw h MET 36 Ca -0.45 -0.02 -0.61 0.00 -2.06 0.00 0.00 59.70 56.56 2jvw h MET 36 Cb 1.90 -0.06 -0.40 0.00 0.06 0.00 0.00 31.60 33.10 2jvw h MET 36 CO -0.00 0.18 -0.73 0.08 1.06 0.00 0.00 176.91 177.49 2jvw s VAL 37 N -6.16 1.48 -1.15 -2.22 1.01 -0.72 -5.06 120.40 107.57 2jvw s VAL 37 Ca -0.13 -2.02 -0.23 0.00 0.00 0.00 0.00 61.98 59.61 2jvw s VAL 37 Cb 0.12 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 2jvw s VAL 37 CO 0.71 -0.71 1.93 0.59 0.00 0.00 0.00 175.10 177.62 2jvw n ASN 38 N 4.31 3.05 -4.15 3.32 4.13 -1.18 -4.44 115.26 120.31 2jvw n ASN 38 Ca 0.02 -2.70 -0.21 0.00 1.68 0.00 0.00 54.58 53.37 2jvw n ASN 38 Cb 0.40 -1.69 -0.14 0.00 -1.54 0.00 0.00 39.78 36.81 2jvw n ASN 38 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2jvw s ILE 39 N 10.46 1.18 -1.30 2.41 -4.36 -1.26 -5.06 121.20 123.28 2jvw s ILE 39 Ca 0.67 -0.94 -0.15 0.00 -0.26 0.00 0.00 60.65 59.97 2jvw s ILE 39 Cb 0.01 -1.05 -0.02 0.00 1.25 0.00 0.00 42.46 42.65 2jvw s ILE 39 CO 0.14 0.10 2.22 -3.20 0.24 0.00 0.00 174.94 174.43 2jvw n ASN 40 N 2.07 4.00 0.00 4.36 5.15 -1.26 -3.57 115.26 126.00 2jvw n ASN 40 Ca -0.17 -2.76 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 2jvw n ASN 40 Cb 0.55 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 2jvw n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jvw n PHE 42 N -0.77 0.00 -0.02 0.00 3.72 -1.23 -4.39 117.46 114.76 2jvw n PHE 42 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 2jvw n PHE 42 Cb 0.00 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.47 2jvw n PHE 42 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jvw n LYS 43 N -0.48 0.11 -2.47 -1.08 4.76 -1.26 -4.58 118.16 113.15 2jvw n LYS 43 Ca 0.18 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.25 2jvw n LYS 43 Cb 0.28 -0.68 -0.03 0.00 -1.84 0.00 0.00 35.03 32.75 2jvw n LYS 43 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2jvw s LYS 44 N -1.39 4.48 -0.84 1.97 -2.85 -1.26 -3.97 119.74 115.88 2jvw s LYS 44 Ca -0.06 1.73 -0.03 0.00 -1.00 0.00 0.00 55.97 56.61 2jvw s LYS 44 Cb 0.01 -3.34 -0.01 0.00 -2.06 0.00 0.00 37.83 32.42 2jvw s LYS 44 CO 0.09 -0.16 0.74 -3.47 0.10 0.00 0.00 175.35 172.64 2jvw n ASP 45 N 3.56 -7.04 -4.58 0.03 -0.08 -1.26 -4.77 116.55 102.42 2jvw n ASP 45 Ca 0.07 -0.37 -0.26 0.00 -1.51 0.00 0.00 54.79 52.72 2jvw n ASP 45 Cb 0.47 -4.69 -0.07 0.00 2.34 0.00 0.00 41.12 39.16 2jvw n ASP 45 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 2jvw s PRO 46 N -3.74 2.25 0.00 -0.67 0.02 -1.25 -4.66 135.00 126.95 2jvw s PRO 46 Ca 0.12 -1.05 0.03 0.00 0.02 0.00 0.00 61.00 60.12 2jvw s PRO 46 Cb -0.03 -5.20 -0.01 0.00 0.02 0.00 0.00 34.50 29.28 2jvw s PRO 46 CO 0.78 -4.28 -0.10 0.45 -0.33 0.00 0.00 177.00 173.52 2jvw s SER 47 N 6.83 1.13 0.29 2.53 0.15 -1.26 -5.04 113.70 118.33 2jvw s SER 47 Ca 0.71 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.13 2jvw s SER 47 Cb -0.01 -0.10 0.54 0.00 -1.71 0.00 0.00 66.02 64.73 2jvw s SER 47 CO 0.14 0.07 1.86 0.40 1.20 0.00 0.00 173.24 176.91 2jvw h ILE 48 N 4.82 0.97 0.03 6.45 1.08 -2.00 -1.61 117.51 127.25 2jvw h ILE 48 Ca -0.32 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2jvw h ILE 48 Cb 1.18 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2jvw h ILE 48 CO 0.48 0.19 -0.01 0.50 -0.69 0.00 0.00 178.15 178.61 2jvw h LYS 49 N 1.02 -0.04 -0.13 2.37 3.11 -1.96 -2.24 116.57 118.71 2jvw h LYS 49 Ca 0.47 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.31 2jvw h LYS 49 Cb 0.40 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2jvw h LYS 49 CO -0.23 0.40 0.06 0.66 -2.81 0.00 0.00 179.45 177.54 2jvw h SER 50 N -0.48 0.17 0.44 4.20 4.64 -1.85 -2.15 113.55 118.52 2jvw h SER 50 Ca -0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2jvw h SER 50 Cb 0.45 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2jvw h SER 50 CO 0.01 0.24 -0.26 0.77 -0.87 0.00 0.00 176.83 176.71 2jvw h SER 51 N 0.09 -0.66 -0.57 4.97 4.64 -1.38 -2.41 113.55 118.23 2jvw h SER 51 Ca 0.04 0.04 0.12 0.00 -0.47 0.00 0.00 61.79 61.52 2jvw h SER 51 Cb 0.11 0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 62.30 2jvw h SER 51 CO -0.01 -0.42 0.02 -0.07 -0.87 0.00 0.00 176.83 175.48 2jvw h LEU 52 N -0.67 -0.21 -1.64 5.97 3.38 -1.40 0.15 115.31 120.88 2jvw h LEU 52 Ca -0.05 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2jvw h LEU 52 Cb 0.55 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2jvw h LEU 52 CO 0.06 -0.08 0.32 0.50 0.09 0.00 0.00 178.44 179.32 2jvw h LYS 53 N 0.14 0.44 -0.04 1.13 3.64 -1.24 0.53 116.57 121.17 2jvw h LYS 53 Ca 0.30 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 2jvw h LYS 53 Cb 0.47 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2jvw h LYS 53 CO -0.47 0.29 -0.71 0.35 -2.27 0.00 0.00 179.45 176.64 2jvw h PHE 54 N 0.45 0.79 -0.66 1.91 3.57 -0.63 -3.31 116.94 119.06 2jvw h PHE 54 Ca 0.20 -0.40 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 2jvw h PHE 54 Cb 0.23 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2jvw h PHE 54 CO -0.00 1.22 0.21 -0.07 -2.23 0.00 0.00 178.31 177.44 2jvw h LEU 55 N 0.14 0.95 -0.92 0.59 3.38 0.41 -2.63 115.31 117.22 2jvw h LEU 55 Ca -0.08 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2jvw h LEU 55 Cb 1.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2jvw h LEU 55 CO 0.14 0.88 0.03 0.03 0.09 0.00 0.00 178.44 179.62 2jvw h ARG 56 N 0.98 0.83 0.00 1.13 3.08 -1.06 -2.41 114.38 116.93 2jvw h ARG 56 Ca 0.22 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jvw h ARG 56 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2jvw h ARG 56 CO -0.01 0.81 0.00 1.57 -1.07 0.00 0.00 179.97 181.27 2jvw h LYS 57 N 0.78 0.00 -4.13 0.04 2.10 -1.62 -3.42 116.57 110.31 2jvw h LYS 57 Ca 0.16 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 58.06 2jvw h LYS 57 Cb 0.42 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.49 2jvw h LYS 57 CO 0.01 0.00 -0.26 0.99 -2.00 0.00 0.00 179.45 178.20 2jvw s THR 58 N -3.17 4.89 0.15 0.07 2.01 -0.91 -4.97 115.64 113.71 2jvw s THR 58 Ca 0.09 -1.68 -0.22 0.00 0.31 0.00 0.00 61.69 60.18 2jvw s THR 58 Cb 0.08 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.47 2jvw s THR 58 CO 0.63 -0.85 1.64 0.44 -0.69 0.00 0.00 174.62 175.79 2jvw h ASP 59 N 8.64 -0.70 1.04 3.53 5.19 -1.83 -1.93 116.42 130.38 2jvw h ASP 59 Ca -0.24 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2jvw h ASP 59 Cb 1.08 0.33 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 2jvw h ASP 59 CO 0.96 -0.26 -0.02 4.11 -3.12 0.00 0.00 179.24 180.91 2jvw h TRP 60 N -0.22 0.00 -0.09 4.55 5.08 -1.93 -3.03 115.95 120.30 2jvw h TRP 60 Ca 0.13 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.93 2jvw h TRP 60 Cb 0.43 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.60 2jvw h TRP 60 CO -0.37 0.02 -0.62 0.00 -1.28 0.00 0.00 178.44 176.18 2jvw h ALA 61 N 1.98 0.20 -0.25 0.11 0.00 -1.66 -3.25 119.26 116.39 2jvw h ALA 61 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.39 2jvw h ALA 61 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2jvw h ALA 61 CO 0.00 0.47 -0.36 0.00 0.00 0.00 0.00 179.25 179.36 2jvw h ARG 62 N 0.22 -0.26 -0.80 0.00 2.47 -1.35 -0.76 114.38 113.90 2jvw h ARG 62 Ca -0.05 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 2jvw h ARG 62 Cb 1.27 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.60 2jvw h ARG 62 CO 0.13 -0.17 0.52 0.93 0.56 0.00 0.00 179.97 181.94 2jvw h GLU 63 N -0.27 0.85 -0.19 0.04 5.08 -1.70 -1.24 114.58 117.15 2jvw h GLU 63 Ca 0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2jvw h GLU 63 Cb 0.39 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jvw h GLU 63 CO -0.38 0.56 -0.00 0.00 -1.00 0.00 0.00 179.01 178.19 2jvw h ARG 64 N 0.87 0.34 -0.61 2.33 3.08 -1.47 -0.58 114.38 118.35 2jvw h ARG 64 Ca 0.34 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2jvw h ARG 64 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2jvw h ARG 64 CO -0.12 0.55 0.39 0.28 -1.07 0.00 0.00 179.97 180.00 2jvw h VAL 65 N 0.09 1.16 -0.48 2.04 2.07 -0.68 -1.53 116.25 118.92 2jvw h VAL 65 Ca 0.05 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2jvw h VAL 65 Cb 0.40 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2jvw h VAL 65 CO 0.01 0.16 0.20 -0.33 0.02 0.00 0.00 177.57 177.63 2jvw h GLU 66 N 0.83 0.68 -0.69 1.57 5.08 -1.16 -2.03 114.58 118.86 2jvw h GLU 66 Ca 0.22 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2jvw h GLU 66 Cb -0.08 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 2jvw h GLU 66 CO -0.05 0.55 0.17 -0.97 -1.00 0.00 0.00 179.01 177.72 2jvw h ASN 67 N 0.68 1.04 -0.41 1.42 -1.24 -0.45 -1.79 115.58 114.83 2jvw h ASN 67 Ca 0.17 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 56.98 2jvw h ASN 67 Cb 0.12 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2jvw h ASN 67 CO -0.02 1.00 0.27 0.40 -1.29 0.00 0.00 177.43 177.79 2jvw h ILE 68 N 1.05 1.07 -0.35 2.57 2.04 -0.59 -0.10 117.51 123.20 2jvw h ILE 68 Ca 0.22 -0.17 -0.14 0.00 1.00 0.00 0.00 64.86 65.76 2jvw h ILE 68 Cb 0.36 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jvw h ILE 68 CO 0.00 0.09 -0.35 0.22 0.00 0.00 0.00 178.15 178.11 2jvw h TYR 69 N 0.50 0.94 -0.98 1.37 3.20 -0.93 -1.70 116.97 119.38 2jvw h TYR 69 Ca 0.16 -0.26 0.01 0.00 3.14 0.00 0.00 58.73 61.78 2jvw h TYR 69 Cb 0.02 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 2jvw h TYR 69 CO -0.00 1.03 0.65 -0.07 -1.64 0.00 0.00 178.16 178.13 2jvw h LEU 70 N 0.66 1.11 -0.76 2.82 3.38 -0.42 0.13 115.31 122.24 2jvw h LEU 70 Ca 0.06 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2jvw h LEU 70 Cb 0.90 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2jvw h LEU 70 CO 0.08 0.80 0.42 0.50 0.09 0.00 0.00 178.44 180.33 2jvw h LYS 71 N 1.31 0.70 -0.19 1.13 3.64 -0.80 -2.15 116.57 120.21 2jvw h LYS 71 Ca 0.36 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 2jvw h LYS 71 Cb -0.13 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 2jvw h LYS 71 CO -0.08 0.47 -0.27 1.25 -2.27 0.00 0.00 179.45 178.54 2jvw h LEU 72 N 0.73 0.37 -0.99 5.20 5.85 -0.12 -2.26 115.31 124.08 2jvw h LEU 72 Ca 0.36 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2jvw h LEU 72 Cb 0.31 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2jvw h LEU 72 CO -0.23 0.64 0.42 1.56 -0.34 0.00 0.00 178.44 180.49 2jvw h GLN 73 N 0.32 1.14 -0.44 1.25 1.08 -0.19 0.92 115.11 119.20 2jvw h GLN 73 Ca 0.05 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2jvw h GLN 73 Cb 0.65 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2jvw h GLN 73 CO 0.05 0.85 0.00 2.89 -0.95 0.00 0.00 178.83 181.67 2jvw n ARG 74 N -4.33 2.02 0.00 1.46 1.85 -0.99 -3.90 116.66 112.76 2jvw n ARG 74 Ca 0.08 -1.31 0.00 0.00 -1.00 0.00 0.00 57.85 55.62 2jvw n ARG 74 Cb 0.11 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 2jvw n ARG 74 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2jvw n HIS 75 N 0.48 0.00 -1.16 2.89 -0.00 -0.18 -4.84 115.22 112.41 2jvw n HIS 75 Ca 0.12 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.00 2jvw n HIS 75 Cb 0.38 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.18 2jvw n HIS 75 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2jvw n LYS 76 N -0.17 3.09 0.18 1.57 3.00 0.30 -4.56 118.16 121.57 2jvw n LYS 76 Ca 0.00 -1.81 0.10 0.00 -0.00 0.00 0.00 58.31 56.60 2jvw n LYS 76 Cb 0.09 -2.56 0.10 0.00 0.00 0.00 0.00 35.03 32.66 2jvw n LYS 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2jvw h GLU 77 N 4.67 0.00 -6.19 1.64 5.08 -1.88 -3.45 114.58 114.44 2jvw h GLU 77 Ca 0.66 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.46 2jvw h GLU 77 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2jvw h GLU 77 CO 1.36 0.10 0.97 1.03 -1.00 0.00 0.00 179.01 181.47 2jvw s ARG 78 N -3.18 4.19 0.57 2.33 3.00 -1.26 -4.99 118.95 119.61 2jvw s ARG 78 Ca 0.05 1.82 -0.15 0.00 0.00 0.00 0.00 55.73 57.45 2jvw s ARG 78 Cb 0.06 -3.85 -0.05 0.00 0.00 0.00 0.00 34.95 31.11 2jvw s ARG 78 CO 0.71 -0.78 1.02 1.21 0.00 0.00 0.00 175.30 177.46 2jvw s ASN 79 N 2.52 6.18 -0.26 0.23 3.84 -1.26 -5.07 114.94 121.13 2jvw s ASN 79 Ca 0.61 1.63 -0.03 0.00 0.21 0.00 0.00 52.86 55.28 2jvw s ASN 79 Cb -0.25 -2.51 0.09 0.00 -0.55 0.00 0.00 41.25 38.02 2jvw s ASN 79 CO 0.20 -0.89 0.10 -1.58 -2.79 0.00 0.00 177.10 172.13 2jvw s GLN 80 N -4.32 0.41 0.56 0.43 0.74 -1.26 -5.14 119.66 111.08 2jvw s GLN 80 Ca 0.60 -0.59 -0.15 0.00 0.05 0.00 0.00 55.36 55.27 2jvw s GLN 80 Cb -0.12 -1.68 -0.06 0.00 1.10 0.00 0.00 33.01 32.24 2jvw s GLN 80 CO 0.39 -0.88 1.01 -0.51 -0.55 0.00 0.00 175.29 174.75 2jvw s LEU 81 N 1.93 3.49 0.00 3.68 1.02 -1.26 -5.16 118.68 122.38 2jvw s LEU 81 Ca 0.06 1.57 0.24 0.00 0.02 0.00 0.00 54.13 56.01 2jvw s LEU 81 Cb -0.17 -4.50 0.19 0.00 0.02 0.00 0.00 46.19 41.73 2jvw s LEU 81 CO -0.24 -0.77 1.25 -0.62 0.02 0.00 0.00 176.35 176.00