#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 3.44 -0.13 3.17 0.00 -1.26 -4.91 121.76 122.07 2jvw s ALA 2 Ca 0.00 -1.50 0.19 0.00 0.00 0.00 0.00 51.96 50.65 2jvw s ALA 2 Cb 0.00 -2.68 -0.18 0.00 0.00 0.00 0.00 23.12 20.26 2jvw s ALA 2 CO 0.00 -1.13 0.65 1.28 0.00 0.00 0.00 175.76 176.56 2jvw n LEU 3 N 5.09 0.50 -3.66 0.00 4.32 -1.26 -4.91 117.00 117.08 2jvw n LEU 3 Ca -0.12 0.21 -0.08 0.00 -0.02 0.00 0.00 56.01 56.00 2jvw n LEU 3 Cb 0.49 0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 42.30 2jvw n LEU 3 CO 0.37 0.11 0.11 -0.51 -1.22 0.00 0.00 177.39 176.26 2jvw s ILE 4 N -3.07 -0.45 -0.35 -0.08 2.07 -1.26 -5.04 121.20 113.01 2jvw s ILE 4 Ca -0.05 0.10 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 2jvw s ILE 4 Cb 0.10 -0.75 0.07 0.00 0.13 0.00 0.00 42.46 42.01 2jvw s ILE 4 CO 0.84 0.04 0.89 0.23 -1.91 0.00 0.00 174.94 175.03 2jvw n MET 5 N 4.96 1.58 -1.61 3.50 2.81 -1.26 -5.00 117.12 122.09 2jvw n MET 5 Ca -0.15 -1.29 -0.43 0.00 -1.81 0.00 0.00 57.70 54.02 2jvw n MET 5 Cb 0.52 -1.08 -0.03 0.00 -0.71 0.00 0.00 33.22 31.92 2jvw n MET 5 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2jvw n THR 6 N -0.03 0.44 -4.98 2.03 -1.04 -1.26 -4.97 114.28 104.47 2jvw n THR 6 Ca 0.03 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.05 61.37 2jvw n THR 6 Cb 0.22 -2.52 -0.16 0.00 -1.82 0.00 0.00 70.33 66.05 2jvw n THR 6 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jvw s GLN 7 N 5.94 1.93 -0.19 -2.82 -0.21 -1.26 -5.12 119.66 117.93 2jvw s GLN 7 Ca 0.98 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 55.66 2jvw s GLN 7 Cb -0.35 -1.71 0.03 0.00 1.00 0.00 0.00 33.01 31.98 2jvw s GLN 7 CO 0.37 0.33 -0.14 -1.14 -2.12 0.00 0.00 175.29 172.58 2jvw s GLN 8 N -0.15 2.43 -0.02 2.91 0.74 -1.26 -5.12 119.66 119.20 2jvw s GLN 8 Ca -0.01 -0.87 -0.22 0.00 0.05 0.00 0.00 55.36 54.32 2jvw s GLN 8 Cb -0.11 -2.48 -0.05 0.00 1.10 0.00 0.00 33.01 31.47 2jvw s GLN 8 CO 0.02 -0.34 0.65 0.54 -0.55 0.00 0.00 175.29 175.60 2jvw s ASN 9 N 1.33 7.01 -1.32 6.67 2.20 -1.26 -4.23 114.94 125.34 2jvw s ASN 9 Ca 0.01 1.20 -0.04 0.00 -0.94 0.00 0.00 52.86 53.09 2jvw s ASN 9 Cb -0.15 -2.39 0.02 0.00 -2.00 0.00 0.00 41.25 36.72 2jvw s ASN 9 CO -0.10 0.02 0.90 0.59 -2.94 0.00 0.00 177.10 175.57 2jvw n ASN 10 N 3.07 -2.75 -0.16 3.54 3.02 -1.26 -4.79 115.26 115.94 2jvw n ASN 10 Ca -0.05 -0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 53.70 2jvw n ASN 10 Cb 0.51 -4.46 0.01 0.00 -0.61 0.00 0.00 39.78 35.23 2jvw n ASN 10 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2jvw h PRO 11 N -2.03 0.66 0.00 3.52 0.13 -1.87 -3.25 132.00 129.15 2jvw h PRO 11 Ca -0.59 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2jvw h PRO 11 Cb 1.36 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jvw h PRO 11 CO 0.56 0.55 0.00 1.47 -0.23 0.00 0.00 178.00 180.36 2jvw n LEU 12 N -4.65 0.36 0.01 1.56 -0.00 -1.26 -4.75 117.00 108.27 2jvw n LEU 12 Ca 0.01 -0.41 -0.12 0.00 -0.00 0.00 0.00 56.01 55.49 2jvw n LEU 12 Cb 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.39 2jvw n LEU 12 CO 0.37 0.09 -0.43 -0.74 -0.00 0.00 0.00 177.39 176.68 2jvw h HIS 13 N 0.00 0.17 -0.49 1.47 2.76 -1.97 -3.45 115.15 113.63 2jvw h HIS 13 Ca 0.00 -0.13 0.06 0.00 -2.20 0.00 0.00 60.37 58.10 2jvw h HIS 13 Cb 0.21 -0.01 -0.18 0.00 1.55 0.00 0.00 27.41 28.99 2jvw h HIS 13 CO 0.00 1.20 -0.23 0.20 -1.30 0.00 0.00 177.93 177.80 2jvw s GLY 14 N -5.09 -1.46 0.04 5.26 0.00 -1.23 -5.12 107.32 99.73 2jvw s GLY 14 Ca -0.07 0.87 -0.37 0.00 0.00 0.00 0.00 44.72 45.15 2jvw s GLY 14 CO 0.82 4.08 1.41 1.39 0.00 0.00 0.00 173.10 180.80 2jvw n ILE 15 N 3.89 0.05 -1.74 0.90 5.41 -1.25 -4.77 119.36 121.84 2jvw n ILE 15 Ca 0.08 -0.01 -0.32 0.00 1.00 0.00 0.00 62.75 63.50 2jvw n ILE 15 Cb 0.61 -0.91 0.04 0.00 -0.71 0.00 0.00 39.64 38.67 2jvw n ILE 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2jvw s THR 16 N 0.93 3.96 0.54 1.39 -4.23 -1.26 -4.84 115.64 112.13 2jvw s THR 16 Ca 0.86 0.74 0.23 0.00 -1.18 0.00 0.00 61.69 62.34 2jvw s THR 16 Cb -0.96 -3.40 0.35 0.00 1.34 0.00 0.00 72.50 69.84 2jvw s THR 16 CO 0.49 -0.73 2.07 0.25 -0.54 0.00 0.00 174.62 176.16 2jvw h LEU 17 N -0.30 0.00 0.78 4.79 5.85 -1.98 -0.28 115.31 124.17 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 1.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.25 2jvw h LEU 17 CO 0.57 0.00 -0.38 -0.61 -0.34 0.00 0.00 178.44 177.68 2jvw h GLN 18 N 0.00 -1.01 -0.73 1.25 4.15 -1.99 0.64 115.11 117.42 2jvw h GLN 18 Ca 0.13 0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.67 2jvw h GLN 18 Cb 0.57 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 2jvw h GLN 18 CO -0.00 -0.67 0.44 -0.22 -1.93 0.00 0.00 178.83 176.45 2jvw h LYS 19 N -1.26 0.81 0.03 1.69 1.63 -1.89 -1.28 116.57 116.30 2jvw h LYS 19 Ca -0.11 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2jvw h LYS 19 Cb 0.81 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 2jvw h LYS 19 CO 0.18 0.54 -0.34 1.25 -3.45 0.00 0.00 179.45 177.63 2jvw h LEU 20 N 0.84 -1.00 -1.03 5.20 6.46 -1.02 -1.33 115.31 123.42 2jvw h LEU 20 Ca 0.31 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 58.17 2jvw h LEU 20 Cb 0.10 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 2jvw h LEU 20 CO -0.14 -0.40 0.34 0.25 -0.62 0.00 0.00 178.44 177.86 2jvw h LEU 21 N -0.51 0.93 0.11 2.25 5.85 -0.71 -2.64 115.31 120.60 2jvw h LEU 21 Ca 0.05 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2jvw h LEU 21 Cb 0.58 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2jvw h LEU 21 CO -0.26 0.79 -0.16 0.74 -0.34 0.00 0.00 178.44 179.21 2jvw h THR 22 N 1.02 0.63 -0.45 1.05 2.02 -0.60 -0.26 112.91 116.32 2jvw h THR 22 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 2jvw h THR 22 Cb 0.11 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2jvw h THR 22 CO -0.03 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 175.71 2jvw h GLU 23 N -0.33 0.64 -0.50 6.66 5.08 -1.19 0.52 114.58 125.46 2jvw h GLU 23 Ca 0.02 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2jvw h GLU 23 Cb 0.34 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jvw h GLU 23 CO -0.08 0.53 0.19 -0.07 -1.00 0.00 0.00 179.01 178.58 2jvw h LEU 24 N 0.64 0.69 -0.77 1.33 3.38 -1.07 -0.03 115.31 119.48 2jvw h LEU 24 Ca 0.16 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2jvw h LEU 24 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2jvw h LEU 24 CO -0.02 0.68 -0.07 0.58 0.09 0.00 0.00 178.44 179.71 2jvw h VAL 25 N 0.66 1.26 0.16 1.22 2.07 -0.45 0.51 116.25 121.69 2jvw h VAL 25 Ca 0.16 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2jvw h VAL 25 Cb 0.21 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jvw h VAL 25 CO -0.01 0.40 -0.08 -0.33 0.02 0.00 0.00 177.57 177.57 2jvw h GLU 26 N 0.79 -0.21 0.00 1.57 4.39 -0.68 -2.81 114.58 117.62 2jvw h GLU 26 Ca 0.14 0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.62 2jvw h GLU 26 Cb 0.57 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2jvw h GLU 26 CO 0.03 -0.11 -1.41 0.72 -1.16 0.00 0.00 179.01 177.08 2jvw n HIS 27 N -5.17 0.73 0.05 4.33 8.25 -0.04 -4.59 115.22 118.77 2jvw n HIS 27 Ca -0.09 0.31 -0.21 0.00 -0.26 0.00 0.00 57.72 57.48 2jvw n HIS 27 Cb 0.13 -0.99 -0.15 0.00 1.12 0.00 0.00 29.99 30.10 2jvw n HIS 27 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2jvw h TYR 28 N -1.00 0.56 0.00 4.41 -1.99 -0.31 -3.51 116.97 115.13 2jvw h TYR 28 Ca -0.35 -0.41 0.00 0.00 2.00 0.00 0.00 58.73 59.97 2jvw h TYR 28 Cb 1.23 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.93 2jvw h TYR 28 CO -0.02 1.38 0.00 0.41 -0.00 0.00 0.00 178.16 179.92 2jvw n GLY 29 N 1.69 -1.21 0.33 3.88 0.00 0.41 -4.04 105.19 106.25 2jvw n GLY 29 Ca -0.16 -1.59 0.16 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.38 1.61 4.06 -1.87 -2.66 115.95 117.47 2jvw h TRP 30 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2jvw h TRP 30 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2jvw h TRP 30 CO 0.00 0.00 -0.27 0.93 -3.56 0.00 0.00 178.44 175.54 2jvw h GLU 31 N 0.00 -0.59 -0.42 0.49 5.08 -1.95 0.11 114.58 117.29 2jvw h GLU 31 Ca 0.10 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2jvw h GLU 31 Cb 0.47 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2jvw h GLU 31 CO -0.00 -0.39 0.25 0.93 -1.00 0.00 0.00 179.01 178.80 2jvw h GLU 32 N -0.61 0.57 -0.53 2.33 5.08 -1.66 -1.90 114.58 117.86 2jvw h GLU 32 Ca -0.05 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2jvw h GLU 32 Cb 0.50 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2jvw h GLU 32 CO 0.03 0.43 0.27 -0.07 -1.00 0.00 0.00 179.01 178.66 2jvw h LEU 33 N 0.56 0.38 -1.68 1.33 3.38 -1.47 -0.56 115.31 117.24 2jvw h LEU 33 Ca 0.15 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2jvw h LEU 33 Cb -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jvw h LEU 33 CO -0.03 0.26 -0.07 -1.28 0.09 0.00 0.00 178.44 177.41 2jvw h SER 34 N 0.51 0.00 -0.07 -0.43 0.87 -0.60 0.15 113.55 113.98 2jvw h SER 34 Ca 0.24 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 2jvw h SER 34 Cb 0.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jvw h SER 34 CO -0.17 0.07 -0.80 0.22 -0.53 0.00 0.00 176.83 175.62 2jvw h TYR 35 N 0.00 0.95 0.01 2.24 3.20 -0.28 -3.25 116.97 119.84 2jvw h TYR 35 Ca -0.00 -0.46 -0.17 0.00 3.14 0.00 0.00 58.73 61.24 2jvw h TYR 35 Cb 0.46 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2jvw h TYR 35 CO 0.00 1.29 -0.90 0.52 -1.64 0.00 0.00 178.16 177.43 2jvw h MET 36 N 0.34 0.02 -3.63 1.82 2.86 -1.35 -3.42 114.93 111.57 2jvw h MET 36 Ca -0.08 -0.04 -0.79 0.00 -2.06 0.00 0.00 59.70 56.73 2jvw h MET 36 Cb 1.45 0.02 -0.28 0.00 0.06 0.00 0.00 31.60 32.85 2jvw h MET 36 CO 0.16 1.02 0.27 0.08 1.06 0.00 0.00 176.91 179.50 2jvw s VAL 37 N -2.33 5.68 -1.27 -2.22 1.01 0.50 -4.95 120.40 116.82 2jvw s VAL 37 Ca -0.25 -3.15 -0.08 0.00 0.00 0.00 0.00 61.98 58.49 2jvw s VAL 37 Cb 0.03 -4.45 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2jvw s VAL 37 CO 0.64 -1.12 2.99 -0.46 0.00 0.00 0.00 175.10 177.15 2jvw n ASN 38 N 3.09 8.01 -4.93 3.32 6.94 -1.23 -4.31 115.26 126.16 2jvw n ASN 38 Ca 0.20 -2.66 -0.25 0.00 -0.02 0.00 0.00 54.58 51.85 2jvw n ASN 38 Cb 0.41 -1.50 0.00 0.00 -2.36 0.00 0.00 39.78 36.34 2jvw n ASN 38 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2jvw s ILE 39 N 1.33 4.70 -1.18 1.53 -4.36 -1.26 -4.97 121.20 116.99 2jvw s ILE 39 Ca 0.67 -0.19 -0.15 0.00 -0.26 0.00 0.00 60.65 60.71 2jvw s ILE 39 Cb 0.21 -3.76 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 2jvw s ILE 39 CO -0.06 -0.61 2.19 -3.20 0.24 0.00 0.00 174.94 173.50 2jvw n ASN 40 N -2.08 4.06 0.13 4.36 2.85 -1.26 -3.54 115.26 119.78 2jvw n ASN 40 Ca -0.01 -2.70 0.00 0.00 -0.11 0.00 0.00 54.58 51.76 2jvw n ASN 40 Cb 0.56 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.19 2jvw n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jvw h PHE 42 N 0.00 0.00 -0.15 0.00 0.04 -1.86 -2.60 116.94 112.37 2jvw h PHE 42 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jvw h PHE 42 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2jvw h PHE 42 CO 0.00 0.20 0.00 1.63 -0.60 0.00 0.00 178.31 179.54 2jvw n LYS 43 N -3.67 2.08 -3.29 1.51 5.02 -1.25 -4.52 118.16 114.03 2jvw n LYS 43 Ca -0.01 -1.59 0.03 0.00 -2.02 0.00 0.00 58.31 54.71 2jvw n LYS 43 Cb 0.32 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 2jvw n LYS 43 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jvw s LYS 44 N -1.83 0.49 -0.88 1.97 2.20 -0.99 -4.98 119.74 115.73 2jvw s LYS 44 Ca 0.34 1.00 -0.03 0.00 -0.36 0.00 0.00 55.97 56.92 2jvw s LYS 44 Cb 0.20 0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 37.07 2jvw s LYS 44 CO 0.30 -0.42 0.78 -3.47 -0.36 0.00 0.00 175.35 172.19 2jvw n ASP 45 N 5.40 -7.19 -4.56 1.43 2.03 -1.25 -4.35 116.55 108.06 2jvw n ASP 45 Ca -0.05 -0.38 -0.29 0.00 0.52 0.00 0.00 54.79 54.59 2jvw n ASP 45 Cb 0.51 -5.09 -0.04 0.00 -0.72 0.00 0.00 41.12 35.77 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 -3.71 2.44 0.04 -0.67 0.04 -1.19 -4.76 135.00 127.19 2jvw s PRO 46 Ca 0.19 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.44 2jvw s PRO 46 Cb -0.03 -4.79 -0.02 0.00 0.04 0.00 0.00 34.50 29.69 2jvw s PRO 46 CO 0.76 -3.29 -0.08 -1.12 0.04 0.00 0.00 177.00 173.31 2jvw s SER 47 N 8.64 0.86 0.09 6.66 0.01 -1.26 -5.06 113.70 123.63 2jvw s SER 47 Ca 0.73 -0.51 -0.34 0.00 1.31 0.00 0.00 55.95 57.14 2jvw s SER 47 Cb -0.10 0.02 -0.16 0.00 0.21 0.00 0.00 66.02 66.00 2jvw s SER 47 CO 0.08 -0.17 1.58 0.40 0.41 0.00 0.00 173.24 175.54 2jvw h ILE 48 N 4.54 0.11 -0.32 1.44 1.08 -2.00 -1.56 117.51 120.79 2jvw h ILE 48 Ca -0.35 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 2jvw h ILE 48 Cb 1.20 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 2jvw h ILE 48 CO 0.41 0.00 -0.01 0.11 -0.69 0.00 0.00 178.15 177.97 2jvw h LYS 49 N -0.93 0.58 -0.99 2.37 6.56 -1.98 -2.36 116.57 119.82 2jvw h LYS 49 Ca -0.05 -0.19 0.24 0.00 -1.06 0.00 0.00 60.65 59.59 2jvw h LYS 49 Cb 0.81 -0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 32.34 2jvw h LYS 49 CO -0.05 0.72 0.65 0.77 -2.06 0.00 0.00 179.45 179.48 2jvw h SER 50 N 0.38 0.42 -0.09 0.86 0.02 -1.88 0.12 113.55 113.38 2jvw h SER 50 Ca 0.09 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2jvw h SER 50 Cb 0.47 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2jvw h SER 50 CO 0.02 0.12 -0.11 -1.28 -1.14 0.00 0.00 176.83 174.44 2jvw h SER 51 N 0.40 0.26 -0.87 3.07 0.87 -0.97 -3.29 113.55 113.01 2jvw h SER 51 Ca 0.54 -0.50 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 2jvw h SER 51 Cb 1.39 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 63.19 2jvw h SER 51 CO -0.24 0.71 0.50 -0.07 -0.53 0.00 0.00 176.83 177.20 2jvw h LEU 52 N -0.19 0.71 -2.14 2.23 3.38 -0.30 0.12 115.31 119.12 2jvw h LEU 52 Ca 0.01 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2jvw h LEU 52 Cb 0.64 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jvw h LEU 52 CO 0.03 0.38 0.17 0.11 0.09 0.00 0.00 178.44 179.22 2jvw h LYS 53 N 0.81 0.00 0.08 1.13 6.56 -1.27 -1.49 116.57 122.40 2jvw h LYS 53 Ca 0.43 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.65 2jvw h LYS 53 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 2jvw h LYS 53 CO -0.27 0.00 -2.13 0.34 -2.06 0.00 0.00 179.45 175.33 2jvw n PHE 54 N -4.13 0.87 -0.10 -1.35 7.35 0.06 -4.27 117.46 115.89 2jvw n PHE 54 Ca 0.02 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2jvw n PHE 54 Cb 0.30 -1.11 0.28 0.00 0.35 0.00 0.00 39.48 39.30 2jvw n PHE 54 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2jvw h LEU 55 N 0.01 0.67 -0.88 -2.13 3.38 -0.59 0.16 115.31 115.93 2jvw h LEU 55 Ca -0.47 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.45 2jvw h LEU 55 Cb 1.97 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 2jvw h LEU 55 CO 0.02 0.58 0.58 0.08 0.09 0.00 0.00 178.44 179.79 2jvw h ARG 56 N 0.75 1.13 0.00 1.13 0.11 -1.47 -2.82 114.38 113.20 2jvw h ARG 56 Ca 0.19 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 60.14 2jvw h ARG 56 Cb 0.09 -0.25 -0.01 0.00 1.11 0.00 0.00 29.97 30.91 2jvw h ARG 56 CO -0.02 0.74 -1.10 1.57 0.10 0.00 0.00 179.97 181.26 2jvw h LYS 57 N 1.16 0.00 -3.57 0.08 2.10 -1.66 -3.41 116.57 111.27 2jvw h LYS 57 Ca 0.34 0.00 -0.74 0.00 -2.00 0.00 0.00 60.65 58.25 2jvw h LYS 57 Cb -0.08 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 30.94 2jvw h LYS 57 CO -0.09 0.10 -0.05 0.99 -2.00 0.00 0.00 179.45 178.40 2jvw s THR 58 N -3.21 4.72 0.10 0.07 2.01 0.52 -4.95 115.64 114.91 2jvw s THR 58 Ca -0.01 -3.15 -0.18 0.00 0.31 0.00 0.00 61.69 58.66 2jvw s THR 58 Cb 0.09 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2jvw s THR 58 CO 0.79 -1.02 1.58 -0.78 -0.69 0.00 0.00 174.62 174.50 2jvw h ASP 59 N 6.89 0.46 -0.50 3.53 3.58 -1.81 -2.78 116.42 125.79 2jvw h ASP 59 Ca 0.09 -0.26 0.08 0.00 0.42 0.00 0.00 57.03 57.37 2jvw h ASP 59 Cb 0.93 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 2jvw h ASP 59 CO 0.80 0.60 0.34 4.11 -2.88 0.00 0.00 179.24 182.21 2jvw h TRP 60 N 0.30 0.34 -0.25 0.28 5.08 -1.92 -0.52 115.95 119.26 2jvw h TRP 60 Ca 0.09 0.01 -0.06 0.00 1.08 0.00 0.00 58.89 60.00 2jvw h TRP 60 Cb 0.34 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.38 2jvw h TRP 60 CO 0.02 0.17 -0.09 0.00 -1.28 0.00 0.00 178.44 177.26 2jvw h ALA 61 N 1.74 0.35 -0.17 0.11 0.00 -1.85 -2.97 119.26 116.47 2jvw h ALA 61 Ca 0.23 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jvw h ALA 61 Cb 0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jvw h ALA 61 CO -0.05 0.18 -0.03 -0.09 0.00 0.00 0.00 179.25 179.26 2jvw h ARG 62 N 0.24 0.01 -0.50 0.00 2.43 -0.91 -1.55 114.38 114.10 2jvw h ARG 62 Ca 0.06 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2jvw h ARG 62 Cb 0.58 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 2jvw h ARG 62 CO 0.03 0.01 -0.06 0.93 -1.51 0.00 0.00 179.97 179.36 2jvw h GLU 63 N 0.01 0.05 -0.04 0.20 5.08 -1.24 0.09 114.58 118.73 2jvw h GLU 63 Ca 0.08 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2jvw h GLU 63 Cb 0.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2jvw h GLU 63 CO -0.16 0.03 0.02 0.00 -1.00 0.00 0.00 179.01 177.90 2jvw h ARG 64 N 0.05 0.06 -0.34 2.33 3.08 -1.34 -0.74 114.38 117.47 2jvw h ARG 64 Ca 0.25 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.35 2jvw h ARG 64 Cb 0.38 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2jvw h ARG 64 CO -0.47 0.15 0.02 0.28 -1.07 0.00 0.00 179.97 178.88 2jvw h VAL 65 N -0.05 0.77 -0.67 2.04 2.07 -0.68 0.17 116.25 119.90 2jvw h VAL 65 Ca 0.01 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 2jvw h VAL 65 Cb 0.11 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2jvw h VAL 65 CO -0.00 0.02 0.11 -0.33 0.02 0.00 0.00 177.57 177.39 2jvw h GLU 66 N 0.12 1.12 -0.60 1.57 5.08 -0.94 -2.37 114.58 118.56 2jvw h GLU 66 Ca 0.17 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2jvw h GLU 66 Cb 0.22 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2jvw h GLU 66 CO -0.26 1.02 0.19 -0.97 -1.00 0.00 0.00 179.01 177.99 2jvw h ASN 67 N 1.04 0.84 -0.88 1.42 -1.24 -0.63 -1.43 115.58 114.70 2jvw h ASN 67 Ca 0.20 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2jvw h ASN 67 Cb 0.45 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 2jvw h ASN 67 CO 0.01 0.79 0.46 0.40 -1.29 0.00 0.00 177.43 177.80 2jvw h ILE 68 N 0.88 1.26 -0.39 2.57 2.04 -0.68 -2.24 117.51 120.96 2jvw h ILE 68 Ca 0.20 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 2jvw h ILE 68 Cb 0.25 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2jvw h ILE 68 CO -0.01 0.30 -0.04 0.22 0.00 0.00 0.00 178.15 178.62 2jvw h TYR 69 N 1.24 0.67 -0.63 1.37 3.20 -0.90 -2.04 116.97 119.88 2jvw h TYR 69 Ca 0.31 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.12 2jvw h TYR 69 Cb 0.06 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 2jvw h TYR 69 CO 0.01 0.67 0.41 -0.07 -1.64 0.00 0.00 178.16 177.54 2jvw h LEU 70 N 0.59 0.62 -1.27 2.82 3.38 -0.71 0.44 115.31 121.19 2jvw h LEU 70 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jvw h LEU 70 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2jvw h LEU 70 CO 0.02 0.43 0.34 0.11 0.09 0.00 0.00 178.44 179.43 2jvw h LYS 71 N 0.72 0.84 -0.27 1.13 1.57 -0.89 -0.28 116.57 119.40 2jvw h LYS 71 Ca 0.25 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 2jvw h LYS 71 Cb 0.11 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2jvw h LYS 71 CO -0.07 0.62 -0.38 1.25 -0.57 0.00 0.00 179.45 180.30 2jvw h LEU 72 N 0.86 0.80 0.18 2.94 5.85 -0.94 -2.95 115.31 122.05 2jvw h LEU 72 Ca 0.22 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2jvw h LEU 72 Cb 0.01 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2jvw h LEU 72 CO -0.04 1.15 -0.09 1.56 -0.34 0.00 0.00 178.44 180.68 2jvw h GLN 73 N 0.48 -0.24 0.00 1.25 1.08 -0.49 -0.10 115.11 117.08 2jvw h GLN 73 Ca 0.03 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2jvw h GLN 73 Cb 0.97 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2jvw h GLN 73 CO 0.09 -0.16 0.00 2.89 -0.95 0.00 0.00 178.83 180.70 2jvw n ARG 74 N -5.20 0.12 0.02 1.46 -4.01 -0.16 -0.07 116.66 108.82 2jvw n ARG 74 Ca -0.09 0.55 -0.16 0.00 -1.04 0.00 0.00 57.85 57.11 2jvw n ARG 74 Cb 0.13 -1.84 -0.14 0.00 -3.04 0.00 0.00 32.46 27.56 2jvw n ARG 74 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2jvw h HIS 75 N 0.00 0.32 -0.01 2.89 2.76 -1.10 -3.36 115.15 116.65 2jvw h HIS 75 Ca 0.00 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2jvw h HIS 75 Cb 0.10 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2jvw h HIS 75 CO 0.00 1.39 -0.32 0.36 -1.30 0.00 0.00 177.93 178.07 2jvw n LYS 76 N -3.34 0.93 -0.34 5.26 2.85 -0.15 -4.41 118.16 118.96 2jvw n LYS 76 Ca -0.21 -0.62 0.31 0.00 -1.05 0.00 0.00 58.31 56.74 2jvw n LYS 76 Cb 1.05 -1.49 0.65 0.00 -0.65 0.00 0.00 35.03 34.59 2jvw n LYS 76 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2jvw h GLU 77 N 1.51 0.15 -0.63 -1.58 4.11 -0.64 0.50 114.58 118.00 2jvw h GLU 77 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2jvw h GLU 77 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jvw h GLU 77 CO 0.00 0.10 0.00 0.54 0.07 0.00 0.00 179.01 179.72 2jvw n ARG 78 N -4.39 4.17 -4.17 1.06 1.74 -1.26 -4.90 116.66 108.91 2jvw n ARG 78 Ca 0.27 -2.77 -0.18 0.00 -0.77 0.00 0.00 57.85 54.39 2jvw n ARG 78 Cb 1.14 -2.07 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 2jvw n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jvw s ASN 79 N -0.76 1.70 -0.03 0.55 2.47 0.16 -5.16 114.94 113.86 2jvw s ASN 79 Ca 0.49 -0.62 -0.12 0.00 0.42 0.00 0.00 52.86 53.02 2jvw s ASN 79 Cb 0.35 -0.05 0.02 0.00 -1.45 0.00 0.00 41.25 40.12 2jvw s ASN 79 CO 0.17 -0.07 0.28 -1.58 -3.72 0.00 0.00 177.10 172.18 2jvw s GLN 80 N -1.75 0.56 -0.03 0.43 0.74 -1.26 -5.01 119.66 113.34 2jvw s GLN 80 Ca -0.02 -0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.13 2jvw s GLN 80 Cb -0.10 0.25 -0.05 0.00 1.10 0.00 0.00 33.01 34.21 2jvw s GLN 80 CO 0.02 -0.14 0.51 -0.51 -0.55 0.00 0.00 175.29 174.63 2jvw s LEU 81 N -0.98 4.40 0.00 3.68 1.43 -1.26 -5.26 118.68 120.69 2jvw s LEU 81 Ca -0.11 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2jvw s LEU 81 Cb -0.05 -2.78 0.09 0.00 0.03 0.00 0.00 46.19 43.48 2jvw s LEU 81 CO 0.03 0.14 0.58 -1.84 0.23 0.00 0.00 176.35 175.49