#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 1.64 -0.26 3.04 0.00 -1.26 -5.11 121.76 119.81 2jvw s ALA 2 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 2jvw s ALA 2 Cb 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 23.12 22.24 2jvw s ALA 2 CO 0.00 -0.32 0.65 -0.48 0.00 0.00 0.00 175.76 175.61 2jvw s LEU 3 N 1.43 -0.74 -0.09 0.00 2.34 -1.26 -5.15 118.68 115.22 2jvw s LEU 3 Ca 0.02 1.40 -0.30 0.00 0.06 0.00 0.00 54.13 55.31 2jvw s LEU 3 Cb -0.13 2.24 -0.02 0.00 -0.56 0.00 0.00 46.19 47.72 2jvw s LEU 3 CO -0.08 -0.23 1.03 -0.51 -1.06 0.00 0.00 176.35 175.50 2jvw s ILE 4 N 1.27 4.73 -0.45 1.48 2.07 -1.26 -5.02 121.20 124.02 2jvw s ILE 4 Ca -0.07 1.99 -0.05 0.00 -1.41 0.00 0.00 60.65 61.11 2jvw s ILE 4 Cb -0.05 -4.28 0.12 0.00 0.13 0.00 0.00 42.46 38.37 2jvw s ILE 4 CO -0.14 0.02 0.28 -0.32 -1.91 0.00 0.00 174.94 172.87 2jvw s MET 5 N 1.91 2.22 -0.32 3.50 -2.45 -1.26 -5.05 119.30 117.85 2jvw s MET 5 Ca 0.50 -1.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.12 2jvw s MET 5 Cb -0.19 -3.73 0.09 0.00 1.25 0.00 0.00 34.83 32.25 2jvw s MET 5 CO 0.20 -1.13 0.02 0.99 1.05 0.00 0.00 175.02 176.15 2jvw s THR 6 N 1.15 2.09 -0.94 10.11 2.01 -1.26 -5.06 115.64 123.75 2jvw s THR 6 Ca 0.08 -2.08 -0.24 0.00 0.31 0.00 0.00 61.69 59.76 2jvw s THR 6 Cb -0.24 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.81 2jvw s THR 6 CO -0.03 -0.48 1.59 0.00 -0.69 0.00 0.00 174.62 175.01 2jvw s GLN 7 N 1.03 3.21 -0.27 4.92 -2.07 -1.26 -4.98 119.66 120.24 2jvw s GLN 7 Ca 0.06 -0.71 -0.24 0.00 -1.82 0.00 0.00 55.36 52.66 2jvw s GLN 7 Cb -0.19 -5.10 -0.00 0.00 -1.09 0.00 0.00 33.01 26.63 2jvw s GLN 7 CO -0.09 -2.55 0.79 -0.65 -1.32 0.00 0.00 175.29 171.47 2jvw s GLN 8 N 5.72 4.07 0.01 9.60 -0.21 -1.26 -5.03 119.66 132.56 2jvw s GLN 8 Ca 0.52 0.73 -0.23 0.00 0.02 0.00 0.00 55.36 56.41 2jvw s GLN 8 Cb -0.03 -3.68 0.05 0.00 1.00 0.00 0.00 33.01 30.34 2jvw s GLN 8 CO -0.03 -0.58 0.51 0.54 -2.12 0.00 0.00 175.29 173.61 2jvw s ASN 9 N 1.49 -0.43 -0.34 5.90 2.20 -1.26 -5.13 114.94 117.36 2jvw s ASN 9 Ca 0.33 0.27 -0.05 0.00 -0.94 0.00 0.00 52.86 52.46 2jvw s ASN 9 Cb -0.15 0.47 0.05 0.00 -2.00 0.00 0.00 41.25 39.62 2jvw s ASN 9 CO 0.10 -0.64 0.10 0.20 -2.94 0.00 0.00 177.10 173.92 2jvw s ASN 10 N -1.69 5.25 0.02 3.54 -0.87 -1.26 -5.05 114.94 114.89 2jvw s ASN 10 Ca -0.08 -1.26 -0.17 0.00 -1.57 0.00 0.00 52.86 49.78 2jvw s ASN 10 Cb -0.01 -1.84 -0.09 0.00 -0.02 0.00 0.00 41.25 39.28 2jvw s ASN 10 CO 0.02 -0.35 1.12 1.55 -2.57 0.00 0.00 177.10 176.88 2jvw h PRO 11 N 8.18 -0.58 0.00 -0.60 0.13 -2.03 -3.44 132.00 133.65 2jvw h PRO 11 Ca -0.22 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2jvw h PRO 11 Cb 1.08 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jvw h PRO 11 CO 0.61 -0.39 -0.29 1.28 -0.23 0.00 0.00 178.00 178.98 2jvw n LEU 12 N -3.79 0.96 -4.59 1.56 4.77 -1.26 -4.97 117.00 109.69 2jvw n LEU 12 Ca -0.07 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 2jvw n LEU 12 Cb 0.24 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2jvw n LEU 12 CO 0.18 -0.52 1.16 -2.28 -1.33 0.00 0.00 177.39 174.59 2jvw s HIS 13 N -1.91 2.50 -1.25 -1.77 2.46 -1.26 -4.94 115.29 109.13 2jvw s HIS 13 Ca -0.08 0.54 -0.20 0.00 0.47 0.00 0.00 55.06 55.79 2jvw s HIS 13 Cb 0.01 -4.43 -0.00 0.00 -0.13 0.00 0.00 32.58 28.03 2jvw s HIS 13 CO 0.13 -1.73 1.84 0.41 -2.47 0.00 0.00 174.74 172.91 2jvw n GLY 14 N 5.09 1.95 3.71 1.59 0.00 -1.26 -4.96 105.19 111.31 2jvw n GLY 14 Ca 0.12 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 7.17 3.63 0.59 -0.61 1.01 -1.26 -5.04 121.20 126.69 2jvw s ILE 15 Ca 0.60 1.14 -0.05 0.00 0.00 0.00 0.00 60.65 62.34 2jvw s ILE 15 Cb 0.02 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2jvw s ILE 15 CO 0.10 0.07 0.89 0.42 0.00 0.00 0.00 174.94 176.42 2jvw s THR 16 N 1.40 3.37 0.25 2.92 -4.23 -1.26 -4.91 115.64 113.18 2jvw s THR 16 Ca 0.62 -0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 2jvw s THR 16 Cb -0.33 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.42 2jvw s THR 16 CO 0.29 -0.34 1.90 0.25 -0.54 0.00 0.00 174.62 176.18 2jvw h LEU 17 N -0.18 1.05 0.07 4.79 5.85 -1.99 0.17 115.31 125.08 2jvw h LEU 17 Ca -0.45 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2jvw h LEU 17 Cb 1.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2jvw h LEU 17 CO 0.60 0.71 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.76 2jvw h GLN 18 N 1.21 -0.10 -0.70 1.25 4.15 -1.99 -0.49 115.11 118.44 2jvw h GLN 18 Ca 0.39 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.84 2jvw h GLN 18 Cb 0.03 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2jvw h GLN 18 CO -0.13 0.08 0.44 -0.22 -1.93 0.00 0.00 178.83 177.07 2jvw h LYS 19 N -0.26 0.85 0.31 1.69 1.63 -1.89 0.39 116.57 119.29 2jvw h LYS 19 Ca -0.01 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2jvw h LYS 19 Cb 0.22 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2jvw h LYS 19 CO 0.02 0.56 -0.24 1.25 -3.45 0.00 0.00 179.45 177.59 2jvw h LEU 20 N 0.88 -0.63 -1.03 5.20 6.46 -0.85 -2.23 115.31 123.12 2jvw h LEU 20 Ca 0.27 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 58.10 2jvw h LEU 20 Cb -0.02 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 2jvw h LEU 20 CO -0.09 -0.37 0.65 0.25 -0.62 0.00 0.00 178.44 178.26 2jvw h LEU 21 N -0.56 1.11 0.10 2.25 5.85 -0.88 -2.79 115.31 120.40 2jvw h LEU 21 Ca -0.02 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jvw h LEU 21 Cb 0.49 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2jvw h LEU 21 CO -0.01 0.79 -0.24 0.74 -0.34 0.00 0.00 178.44 179.38 2jvw h THR 22 N 1.30 0.46 -0.94 1.05 2.02 -0.66 0.06 112.91 116.21 2jvw h THR 22 Ca 0.37 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.65 2jvw h THR 22 Cb -0.10 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 66.69 2jvw h THR 22 CO -0.09 0.00 0.58 -0.33 0.37 0.00 0.00 175.52 176.04 2jvw h GLU 23 N -0.44 0.92 -0.55 6.66 4.39 -1.25 -0.04 114.58 124.28 2jvw h GLU 23 Ca 0.03 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2jvw h GLU 23 Cb 0.47 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2jvw h GLU 23 CO -0.15 0.61 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.24 2jvw h LEU 24 N 0.95 0.95 -0.75 1.33 3.38 -1.17 -0.04 115.31 119.97 2jvw h LEU 24 Ca 0.45 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2jvw h LEU 24 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jvw h LEU 24 CO -0.24 1.03 -0.22 0.58 0.09 0.00 0.00 178.44 179.67 2jvw h VAL 25 N 0.85 1.27 -0.09 1.22 2.07 -0.19 0.20 116.25 121.58 2jvw h VAL 25 Ca 0.16 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 2jvw h VAL 25 Cb 0.54 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2jvw h VAL 25 CO 0.03 0.44 -0.33 -0.33 0.02 0.00 0.00 177.57 177.39 2jvw h GLU 26 N 0.63 0.37 0.10 1.57 4.39 -0.92 -2.53 114.58 118.20 2jvw h GLU 26 Ca 0.09 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2jvw h GLU 26 Cb 0.71 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2jvw h GLU 26 CO 0.05 0.92 -0.05 1.25 -1.16 0.00 0.00 179.01 180.02 2jvw h HIS 27 N -0.09 -0.13 0.00 4.33 2.76 -1.01 -3.43 115.15 117.59 2jvw h HIS 27 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2jvw h HIS 27 Cb 0.97 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2jvw h HIS 27 CO 0.12 0.33 0.00 0.66 -1.30 0.00 0.00 177.93 177.74 2jvw n TYR 28 N -4.83 0.00 0.00 5.26 4.02 0.64 -5.08 117.16 117.17 2jvw n TYR 28 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2jvw n TYR 28 Cb 0.25 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 2jvw n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jvw n GLY 29 N 1.89 2.66 0.34 2.72 0.00 -0.85 -4.65 105.19 107.30 2jvw n GLY 29 Ca 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 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 1.21 -0.15 1.61 4.06 -1.90 -0.37 115.95 120.41 2jvw h TRP 30 Ca 0.00 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 2jvw h TRP 30 Cb 0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 27.80 2jvw h TRP 30 CO 0.00 0.92 0.06 0.93 -3.56 0.00 0.00 178.44 176.80 2jvw h GLU 31 N 1.14 0.22 -0.45 0.49 4.39 -1.90 0.03 114.58 118.51 2jvw h GLU 31 Ca 0.26 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2jvw h GLU 31 Cb 0.25 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2jvw h GLU 31 CO -0.02 0.30 0.24 0.93 -1.16 0.00 0.00 179.01 179.30 2jvw h GLU 32 N 0.10 0.63 -0.30 2.33 3.07 -1.77 -1.00 114.58 117.63 2jvw h GLU 32 Ca 0.05 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2jvw h GLU 32 Cb 0.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2jvw h GLU 32 CO -0.00 0.52 0.20 -0.07 -1.40 0.00 0.00 179.01 178.25 2jvw h LEU 33 N 0.59 0.35 -1.84 1.33 3.38 -0.99 -2.13 115.31 116.00 2jvw h LEU 33 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2jvw h LEU 33 Cb 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jvw h LEU 33 CO -0.02 0.25 -0.05 0.77 0.09 0.00 0.00 178.44 179.49 2jvw h SER 34 N 0.41 0.00 -0.08 -0.43 4.64 -0.82 0.25 113.55 117.51 2jvw h SER 34 Ca 0.11 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 2jvw h SER 34 Cb -0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2jvw h SER 34 CO -0.02 0.05 -0.43 0.22 -0.87 0.00 0.00 176.83 175.77 2jvw h TYR 35 N 0.00 0.60 0.00 4.77 3.20 -0.63 -3.21 116.97 121.70 2jvw h TYR 35 Ca -0.00 -0.26 -0.14 0.00 3.14 0.00 0.00 58.73 61.46 2jvw h TYR 35 Cb 0.39 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2jvw h TYR 35 CO 0.00 1.03 -0.67 0.52 -1.64 0.00 0.00 178.16 177.40 2jvw h MET 36 N -0.01 0.00 -3.36 1.82 2.86 -0.98 -3.40 114.93 111.86 2jvw h MET 36 Ca -0.03 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.99 2jvw h MET 36 Cb 1.08 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.34 2jvw h MET 36 CO 0.09 0.67 -0.71 0.08 1.06 0.00 0.00 176.91 178.10 2jvw s VAL 37 N -2.93 1.73 -1.23 -2.22 1.01 0.83 -5.06 120.40 112.53 2jvw s VAL 37 Ca 0.03 -2.56 -0.20 0.00 0.00 0.00 0.00 61.98 59.24 2jvw s VAL 37 Cb 0.09 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2jvw s VAL 37 CO 0.77 -0.81 1.77 0.20 0.00 0.00 0.00 175.10 177.03 2jvw s ASN 38 N 0.43 6.27 0.10 3.32 0.02 -1.21 -4.31 114.94 119.56 2jvw s ASN 38 Ca 0.16 -2.10 0.03 0.00 -1.02 0.00 0.00 52.86 49.92 2jvw s ASN 38 Cb -0.23 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.42 2jvw s ASN 38 CO -0.04 -1.76 -0.08 0.27 0.02 0.00 0.00 177.10 175.51 2jvw s ILE 39 N 6.29 0.84 -1.09 0.60 -4.36 -1.26 -5.06 121.20 117.16 2jvw s ILE 39 Ca 0.58 -1.83 -0.19 0.00 -0.26 0.00 0.00 60.65 58.95 2jvw s ILE 39 Cb 0.02 -1.56 -0.07 0.00 1.25 0.00 0.00 42.46 42.10 2jvw s ILE 39 CO 0.08 -0.74 2.03 -3.20 0.24 0.00 0.00 174.94 173.35 2jvw n ASN 40 N 0.17 3.20 0.01 4.36 5.15 -1.26 -4.11 115.26 122.79 2jvw n ASN 40 Ca -0.13 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.09 2jvw n ASN 40 Cb 0.60 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 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 -2.58 0.00 0.04 0.00 3.72 -1.26 -2.97 117.46 114.41 2jvw n PHE 42 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2jvw n PHE 42 Cb 0.00 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.43 0.04 -0.18 -1.08 4.76 -1.26 -4.53 118.16 115.48 2jvw n LYS 43 Ca 0.00 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 2jvw n LYS 43 Cb 0.02 -0.53 0.01 0.00 -1.84 0.00 0.00 35.03 32.68 2jvw n LYS 43 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jvw h LYS 44 N -0.07 1.02 -1.95 1.97 3.64 -1.89 -3.38 116.57 115.91 2jvw h LYS 44 Ca 0.00 -0.39 -0.49 0.00 -1.27 0.00 0.00 60.65 58.50 2jvw h LYS 44 Cb 0.07 -0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 31.50 2jvw h LYS 44 CO 0.00 1.08 -0.89 -3.47 -2.27 0.00 0.00 179.45 173.90 2jvw n ASP 45 N -4.15 -1.07 -4.57 4.20 2.03 -1.16 -5.08 116.55 106.76 2jvw n ASP 45 Ca 0.01 -2.56 -0.35 0.00 0.52 0.00 0.00 54.79 52.41 2jvw n ASP 45 Cb 0.42 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 2jvw n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2jvw s PRO 46 N 0.06 3.15 0.02 -0.67 0.04 -1.24 -4.63 135.00 131.73 2jvw s PRO 46 Ca 0.33 -1.33 0.03 0.00 0.04 0.00 0.00 61.00 60.07 2jvw s PRO 46 Cb 0.06 -5.34 -0.02 0.00 0.04 0.00 0.00 34.50 29.25 2jvw s PRO 46 CO -0.16 -3.09 -0.10 0.45 0.04 0.00 0.00 177.00 174.14 2jvw s SER 47 N 5.73 1.14 0.09 6.66 0.15 -1.26 -5.05 113.70 121.15 2jvw s SER 47 Ca 0.61 -0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.67 2jvw s SER 47 Cb 0.00 -0.07 -0.14 0.00 -1.71 0.00 0.00 66.02 64.10 2jvw s SER 47 CO 0.07 -0.00 1.72 0.40 1.20 0.00 0.00 173.24 176.62 2jvw h ILE 48 N 4.69 0.89 -0.02 6.45 1.08 -1.99 0.98 117.51 129.59 2jvw h ILE 48 Ca -0.34 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2jvw h ILE 48 Cb 1.19 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 2jvw h ILE 48 CO 0.45 0.00 0.01 0.50 -0.69 0.00 0.00 178.15 178.43 2jvw h LYS 49 N -0.12 0.03 -0.49 2.37 3.64 -1.98 -1.82 116.57 118.19 2jvw h LYS 49 Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2jvw h LYS 49 Cb 0.11 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2jvw h LYS 49 CO 0.00 0.06 0.21 1.03 -2.27 0.00 0.00 179.45 178.48 2jvw h SER 50 N -0.02 0.66 -0.38 4.20 0.87 -1.88 -2.73 113.55 114.27 2jvw h SER 50 Ca 0.01 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 2jvw h SER 50 Cb 0.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2jvw h SER 50 CO -0.00 0.63 0.15 0.77 -0.53 0.00 0.00 176.83 177.85 2jvw h SER 51 N 0.65 0.53 -0.56 6.23 4.64 -0.73 -1.95 113.55 122.35 2jvw h SER 51 Ca 0.17 -0.17 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2jvw h SER 51 Cb 0.16 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.04 2jvw h SER 51 CO -0.02 0.55 0.12 -0.07 -0.87 0.00 0.00 176.83 176.55 2jvw h LEU 52 N 0.48 0.02 -0.40 5.97 3.38 -1.26 0.13 115.31 123.63 2jvw h LEU 52 Ca 0.13 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2jvw h LEU 52 Cb 0.19 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2jvw h LEU 52 CO -0.01 0.03 0.04 0.11 0.09 0.00 0.00 178.44 178.70 2jvw h LYS 53 N 0.26 0.15 -0.97 1.13 6.56 -1.17 -2.00 116.57 120.54 2jvw h LYS 53 Ca 0.29 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 2jvw h LYS 53 Cb 0.40 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.98 2jvw h LYS 53 CO -0.36 0.10 0.62 0.35 -2.06 0.00 0.00 179.45 178.10 2jvw h PHE 54 N 0.16 1.25 0.00 -1.35 3.57 -0.48 -1.79 116.94 118.29 2jvw h PHE 54 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2jvw h PHE 54 Cb 0.25 -0.42 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2jvw h PHE 54 CO -0.23 0.80 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.48 2jvw h LEU 55 N 1.33 0.00 -0.74 0.59 3.38 -0.20 0.19 115.31 119.86 2jvw h LEU 55 Ca 0.35 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 2jvw h LEU 55 Cb -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2jvw h LEU 55 CO -0.07 0.10 -0.62 0.03 0.09 0.00 0.00 178.44 177.97 2jvw h ARG 56 N 0.00 0.06 0.00 1.13 2.47 -0.62 -3.11 114.38 114.30 2jvw h ARG 56 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2jvw h ARG 56 Cb 0.21 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2jvw h ARG 56 CO 0.01 0.65 -0.83 1.63 0.56 0.00 0.00 179.97 182.00 2jvw n LYS 57 N -3.82 0.24 -3.64 0.04 5.02 -0.57 -4.73 118.16 110.70 2jvw n LYS 57 Ca -0.01 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2jvw n LYS 57 Cb 0.62 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 2jvw n LYS 57 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jvw s THR 58 N -3.16 0.68 0.07 -0.18 2.01 0.56 -5.01 115.64 110.62 2jvw s THR 58 Ca 0.06 -1.62 -0.10 0.00 0.31 0.00 0.00 61.69 60.33 2jvw s THR 58 Cb 0.15 -1.51 -0.28 0.00 0.01 0.00 0.00 72.50 70.87 2jvw s THR 58 CO 0.76 -0.80 1.14 0.44 -0.69 0.00 0.00 174.62 175.47 2jvw h ASP 59 N 7.61 0.70 0.08 3.53 3.32 -1.85 -3.13 116.42 126.67 2jvw h ASP 59 Ca -0.08 -0.67 -0.00 0.00 0.02 0.00 0.00 57.03 56.30 2jvw h ASP 59 Cb 0.98 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2jvw h ASP 59 CO 0.42 1.49 -0.02 4.11 -1.72 0.00 0.00 179.24 183.52 2jvw h TRP 60 N 0.20 0.00 -0.67 4.55 5.08 -1.95 0.39 115.95 123.55 2jvw h TRP 60 Ca -0.16 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.76 2jvw h TRP 60 Cb 1.91 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 28.04 2jvw h TRP 60 CO 0.09 0.02 0.22 0.00 -1.28 0.00 0.00 178.44 177.50 2jvw h ALA 61 N 1.98 1.12 -0.24 0.11 0.00 -1.91 -2.77 119.26 117.56 2jvw h ALA 61 Ca -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jvw h ALA 61 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2jvw h ALA 61 CO 0.00 0.61 0.12 0.00 0.00 0.00 0.00 179.25 179.98 2jvw h ARG 62 N 0.98 0.25 -0.94 0.00 3.08 -1.01 -0.76 114.38 116.00 2jvw h ARG 62 Ca 0.22 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.47 2jvw h ARG 62 Cb 0.26 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.14 2jvw h ARG 62 CO -0.01 0.17 0.49 0.93 -1.07 0.00 0.00 179.97 180.47 2jvw h GLU 63 N 0.26 0.51 0.00 0.04 4.39 -1.31 0.23 114.58 118.70 2jvw h GLU 63 Ca 0.09 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2jvw h GLU 63 Cb 0.02 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2jvw h GLU 63 CO -0.06 0.34 -0.00 0.00 -1.16 0.00 0.00 179.01 178.13 2jvw h ARG 64 N 0.53 -0.01 -0.22 2.33 2.47 -1.15 -2.56 114.38 115.77 2jvw h ARG 64 Ca 0.58 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.30 2jvw h ARG 64 Cb 1.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 2jvw h ARG 64 CO -0.47 0.54 0.14 0.28 0.56 0.00 0.00 179.97 181.02 2jvw h VAL 65 N -0.55 1.07 -0.70 2.04 2.07 -0.32 -2.04 116.25 117.81 2jvw h VAL 65 Ca -0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2jvw h VAL 65 Cb 0.55 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2jvw h VAL 65 CO 0.00 0.07 0.28 -0.33 0.02 0.00 0.00 177.57 177.61 2jvw h GLU 66 N 0.29 1.04 -0.68 1.57 5.08 -0.69 -2.26 114.58 118.93 2jvw h GLU 66 Ca 0.08 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2jvw h GLU 66 Cb -0.01 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2jvw h GLU 66 CO -0.02 0.85 0.43 -0.97 -1.00 0.00 0.00 179.01 178.31 2jvw h ASN 67 N 1.02 0.72 -0.98 1.42 -1.24 -1.17 -0.66 115.58 114.70 2jvw h ASN 67 Ca 0.24 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.28 2jvw h ASN 67 Cb 0.20 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 2jvw h ASN 67 CO -0.02 0.51 0.64 0.40 -1.29 0.00 0.00 177.43 177.67 2jvw h ILE 68 N 0.86 1.15 -0.19 2.57 2.04 -0.91 -0.05 117.51 122.98 2jvw h ILE 68 Ca 0.26 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2jvw h ILE 68 Cb -0.02 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 35.88 2jvw h ILE 68 CO -0.09 0.22 0.04 0.22 0.00 0.00 0.00 178.15 178.54 2jvw h TYR 69 N 1.21 0.33 -0.71 1.37 3.20 -0.82 -0.28 116.97 121.28 2jvw h TYR 69 Ca 0.40 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.26 2jvw h TYR 69 Cb 0.04 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 2jvw h TYR 69 CO -0.00 0.45 0.43 -0.07 -1.64 0.00 0.00 178.16 177.33 2jvw h LEU 70 N 0.12 0.68 -0.77 2.82 3.38 -0.77 -1.14 115.31 119.63 2jvw h LEU 70 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jvw h LEU 70 Cb 0.29 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jvw h LEU 70 CO 0.00 0.46 0.49 0.50 0.09 0.00 0.00 178.44 179.98 2jvw h LYS 71 N 0.82 1.03 -0.88 1.13 3.64 -0.85 -2.48 116.57 118.98 2jvw h LYS 71 Ca 0.30 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2jvw h LYS 71 Cb 0.08 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 2jvw h LYS 71 CO -0.14 0.71 0.53 1.25 -2.27 0.00 0.00 179.45 179.54 2jvw h LEU 72 N 1.05 1.05 -0.34 5.20 5.85 -0.23 0.30 115.31 128.18 2jvw h LEU 72 Ca 0.28 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 2jvw h LEU 72 Cb -0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 2jvw h LEU 72 CO -0.06 0.80 -0.19 1.56 -0.34 0.00 0.00 178.44 180.21 2jvw h GLN 73 N 1.20 0.74 0.00 1.25 1.08 -0.94 0.15 115.11 118.59 2jvw h GLN 73 Ca 0.31 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 2jvw h GLN 73 Cb -0.06 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 2jvw h GLN 73 CO -0.06 0.95 -0.35 0.07 -0.95 0.00 0.00 178.83 178.48 2jvw h ARG 74 N 0.52 0.00 0.00 1.46 0.11 -1.37 -3.00 114.38 112.09 2jvw h ARG 74 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2jvw h ARG 74 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2jvw h ARG 74 CO 0.06 0.35 -0.34 1.58 0.10 0.00 0.00 179.97 181.71 2jvw n HIS 75 N -3.46 0.48 -1.69 4.08 -0.00 0.09 -4.93 115.22 109.79 2jvw n HIS 75 Ca 0.00 0.14 -0.54 0.00 0.46 0.00 0.00 57.72 57.78 2jvw n HIS 75 Cb 0.52 -0.64 -0.06 0.00 -0.12 0.00 0.00 29.99 29.68 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 -1.96 1.48 0.35 1.57 4.81 0.50 -4.90 118.16 120.02 2jvw n LYS 76 Ca 0.05 0.54 -0.16 0.00 -0.87 0.00 0.00 58.31 57.87 2jvw n LYS 76 Cb 0.40 -2.29 -0.08 0.00 0.02 0.00 0.00 35.03 33.08 2jvw n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2jvw h GLU 77 N 8.11 -0.88 -5.51 1.64 3.07 -1.91 -3.44 114.58 115.66 2jvw h GLU 77 Ca -0.46 0.06 -0.64 0.00 -0.50 0.00 0.00 59.36 57.82 2jvw h GLU 77 Cb 1.30 0.20 -0.13 0.00 -0.84 0.00 0.00 28.75 29.29 2jvw h GLU 77 CO 0.96 -0.56 -0.54 1.03 -1.40 0.00 0.00 179.01 178.51 2jvw s ARG 78 N -5.00 3.68 0.37 2.33 0.52 -1.26 -5.09 118.95 114.49 2jvw s ARG 78 Ca -0.15 -0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 54.53 2jvw s ARG 78 Cb 0.02 -3.16 -0.09 0.00 0.52 0.00 0.00 34.95 32.23 2jvw s ARG 78 CO 0.49 0.50 1.02 0.54 0.02 0.00 0.00 175.30 177.87 2jvw s ASN 79 N -0.26 6.98 0.06 0.23 4.22 -1.26 -5.06 114.94 119.85 2jvw s ASN 79 Ca 0.09 1.99 -0.26 0.00 -2.14 0.00 0.00 52.86 52.54 2jvw s ASN 79 Cb -0.12 -2.59 0.08 0.00 1.28 0.00 0.00 41.25 39.90 2jvw s ASN 79 CO 0.01 -0.33 0.68 -1.58 -2.04 0.00 0.00 177.10 173.85 2jvw s GLN 80 N -2.29 1.12 -0.07 3.55 2.00 -1.26 -5.17 119.66 117.54 2jvw s GLN 80 Ca 0.54 -0.21 -0.01 0.00 -2.00 0.00 0.00 55.36 53.68 2jvw s GLN 80 Cb -0.22 0.52 -0.03 0.00 0.80 0.00 0.00 33.01 34.08 2jvw s GLN 80 CO 0.27 -0.45 -0.00 -0.48 -0.50 0.00 0.00 175.29 174.13 2jvw s LEU 81 N -2.20 3.55 0.00 3.68 2.34 -1.26 -5.28 118.68 119.51 2jvw s LEU 81 Ca -0.02 0.11 0.30 0.00 0.06 0.00 0.00 54.13 54.58 2jvw s LEU 81 Cb -0.01 -1.84 1.44 0.00 -0.56 0.00 0.00 46.19 45.22 2jvw s LEU 81 CO -0.05 0.36 1.96 -1.84 -1.06 0.00 0.00 176.35 175.72