#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvw h ALA 2 N 0.00 1.19 -1.61 3.04 0.00 -2.14 -3.41 119.26 116.33 2jvw h ALA 2 Ca 0.00 -0.19 -0.47 0.00 0.00 0.00 0.00 54.91 54.25 2jvw h ALA 2 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jvw h ALA 2 CO 0.00 0.25 1.58 -0.51 0.00 0.00 0.00 179.25 180.57 2jvw s LEU 3 N -7.21 3.39 0.31 0.00 1.43 -1.26 -4.95 118.68 110.39 2jvw s LEU 3 Ca -0.02 1.00 -0.27 0.00 -1.03 0.00 0.00 54.13 53.81 2jvw s LEU 3 Cb 0.12 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 2jvw s LEU 3 CO 0.62 -2.75 1.00 0.27 0.23 0.00 0.00 176.35 175.72 2jvw s ILE 4 N 11.47 3.92 -1.00 -0.59 -4.36 -1.26 -4.97 121.20 124.41 2jvw s ILE 4 Ca 0.92 1.72 -0.23 0.00 -0.26 0.00 0.00 60.65 62.81 2jvw s ILE 4 Cb -0.17 -4.02 0.03 0.00 1.25 0.00 0.00 42.46 39.55 2jvw s ILE 4 CO 0.26 0.25 1.57 -0.04 0.24 0.00 0.00 174.94 177.22 2jvw s MET 5 N -1.78 3.35 -0.15 0.37 -1.94 -1.26 -4.86 119.30 113.02 2jvw s MET 5 Ca 0.48 -0.94 -0.05 0.00 -1.71 0.00 0.00 55.69 53.47 2jvw s MET 5 Cb -0.24 -5.29 -0.15 0.00 2.01 0.00 0.00 34.83 31.16 2jvw s MET 5 CO 0.30 -2.49 3.29 0.25 -0.01 0.00 0.00 175.02 176.36 2jvw n THR 6 N 7.11 3.08 -4.20 2.05 -2.24 -1.26 -4.90 114.28 113.92 2jvw n THR 6 Ca 0.35 -1.96 -0.30 0.00 -2.27 0.00 0.00 64.05 59.87 2jvw n THR 6 Cb 0.50 -1.85 -0.09 0.00 -2.10 0.00 0.00 70.33 66.79 2jvw n THR 6 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jvw s GLN 7 N 0.05 2.24 0.23 -0.78 -0.21 -1.26 -5.01 119.66 114.92 2jvw s GLN 7 Ca 0.62 -0.98 0.24 0.00 0.02 0.00 0.00 55.36 55.26 2jvw s GLN 7 Cb 0.33 -2.36 0.92 0.00 1.00 0.00 0.00 33.01 32.90 2jvw s GLN 7 CO -0.07 0.51 1.74 0.00 -2.12 0.00 0.00 175.29 175.35 2jvw n GLN 8 N 0.64 0.21 -1.53 2.91 0.00 -1.26 -4.81 117.38 113.54 2jvw n GLN 8 Ca -0.13 0.34 -0.34 0.00 0.00 0.00 0.00 57.00 56.88 2jvw n GLN 8 Cb 0.52 -1.84 0.08 0.00 0.00 0.00 0.00 30.24 29.00 2jvw n GLN 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2jvw s ASN 9 N -4.31 4.51 -0.65 2.61 -0.87 -1.26 -5.01 114.94 109.96 2jvw s ASN 9 Ca 0.07 2.20 -0.04 0.00 -1.57 0.00 0.00 52.86 53.51 2jvw s ASN 9 Cb 0.11 -2.57 0.17 0.00 -0.02 0.00 0.00 41.25 38.93 2jvw s ASN 9 CO 0.47 -2.04 0.48 0.20 -2.57 0.00 0.00 177.10 173.64 2jvw s ASN 10 N -2.30 5.39 0.00 -1.22 0.01 -1.26 -4.93 114.94 110.63 2jvw s ASN 10 Ca 0.71 -2.87 0.10 0.00 -0.71 0.00 0.00 52.86 50.09 2jvw s ASN 10 Cb -0.25 -1.89 0.58 0.00 0.41 0.00 0.00 41.25 40.09 2jvw s ASN 10 CO 0.44 -0.38 1.12 -0.81 -1.51 0.00 0.00 177.10 175.96 2jvw n PRO 11 N 3.50 0.67 -0.63 -0.60 -0.04 -1.26 -2.33 135.00 134.31 2jvw n PRO 11 Ca 0.09 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2jvw n PRO 11 Cb 0.39 -1.22 0.09 0.00 -0.04 0.00 0.00 33.50 32.72 2jvw n PRO 11 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2jvw n LEU 12 N -0.72 1.52 0.00 1.53 -0.00 -1.26 -4.82 117.00 113.24 2jvw n LEU 12 Ca 0.07 -2.49 0.09 0.00 -0.00 0.00 0.00 56.01 53.69 2jvw n LEU 12 Cb 0.03 -0.25 0.44 0.00 -0.00 0.00 0.00 43.42 43.64 2jvw n LEU 12 CO 0.05 0.71 0.81 1.57 -0.00 0.00 0.00 177.39 180.53 2jvw n HIS 13 N -0.56 0.00 -2.88 1.47 -0.00 -0.98 -4.22 115.22 108.05 2jvw n HIS 13 Ca 0.10 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.22 2jvw n HIS 13 Cb 0.78 -0.45 -0.01 0.00 -0.12 0.00 0.00 29.99 30.20 2jvw n HIS 13 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2jvw s GLY 14 N -2.89 -0.94 0.04 1.57 0.00 -1.26 -5.15 107.32 98.68 2jvw s GLY 14 Ca 0.12 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 2jvw s GLY 14 CO 0.34 3.46 0.61 -0.42 0.00 0.00 0.00 173.10 177.09 2jvw s ILE 15 N 0.86 4.81 0.60 0.90 1.01 -1.26 -5.08 121.20 123.03 2jvw s ILE 15 Ca 0.29 1.29 -0.07 0.00 0.00 0.00 0.00 60.65 62.16 2jvw s ILE 15 Cb -0.00 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2jvw s ILE 15 CO -0.07 0.47 0.93 0.42 0.00 0.00 0.00 174.94 176.69 2jvw s THR 16 N -0.55 3.72 0.18 2.92 -4.23 -1.26 -4.88 115.64 111.55 2jvw s THR 16 Ca 0.31 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.80 2jvw s THR 16 Cb -0.19 -3.49 0.10 0.00 1.34 0.00 0.00 72.50 70.26 2jvw s THR 16 CO 0.19 -0.53 1.74 0.25 -0.54 0.00 0.00 174.62 175.73 2jvw h LEU 17 N -0.23 0.15 -0.08 4.79 5.85 -1.98 0.47 115.31 124.29 2jvw h LEU 17 Ca -0.45 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2jvw h LEU 17 Cb 1.25 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 2jvw h LEU 17 CO 0.61 0.11 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.93 2jvw h GLN 18 N 0.34 -0.38 -0.61 1.25 -0.00 -1.99 0.08 115.11 113.80 2jvw h GLN 18 Ca 0.24 0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.86 2jvw h GLN 18 Cb 0.27 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.81 2jvw h GLN 18 CO -0.26 -0.25 0.17 -0.22 0.00 0.00 0.00 178.83 178.27 2jvw h LYS 19 N -0.39 0.97 0.53 1.69 1.63 -1.90 -2.73 116.57 116.37 2jvw h LYS 19 Ca 0.08 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 2jvw h LYS 19 Cb 0.51 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2jvw h LYS 19 CO -0.30 0.88 -0.38 1.25 -3.45 0.00 0.00 179.45 177.45 2jvw h LEU 20 N 0.89 -0.99 -0.70 5.20 6.46 -0.38 -1.78 115.31 124.00 2jvw h LEU 20 Ca 0.19 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.05 2jvw h LEU 20 Cb 0.33 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 2jvw h LEU 20 CO -0.00 -0.57 0.44 0.25 -0.62 0.00 0.00 178.44 177.94 2jvw h LEU 21 N -0.89 0.73 -0.47 2.25 5.85 -1.04 -2.17 115.31 119.57 2jvw h LEU 21 Ca -0.06 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.74 2jvw h LEU 21 Cb 0.74 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2jvw h LEU 21 CO 0.02 0.51 0.08 0.74 -0.34 0.00 0.00 178.44 179.46 2jvw h THR 22 N 0.87 0.73 -0.35 1.05 2.02 -1.32 -1.26 112.91 114.65 2jvw h THR 22 Ca 0.28 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 2jvw h THR 22 Cb -0.01 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2jvw h THR 22 CO -0.10 0.04 0.10 -0.33 0.37 0.00 0.00 175.52 175.60 2jvw h GLU 23 N 0.21 0.50 -0.55 6.66 5.08 -0.81 -0.64 114.58 125.03 2jvw h GLU 23 Ca 0.23 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2jvw h GLU 23 Cb 0.31 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jvw h GLU 23 CO -0.32 0.45 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.05 2jvw h LEU 24 N 0.50 0.94 -1.03 1.33 3.38 -0.67 0.60 115.31 120.35 2jvw h LEU 24 Ca 0.12 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2jvw h LEU 24 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jvw h LEU 24 CO -0.01 1.01 -0.40 0.58 0.09 0.00 0.00 178.44 179.71 2jvw h VAL 25 N 0.88 1.30 -0.12 1.22 2.07 -0.54 0.21 116.25 121.27 2jvw h VAL 25 Ca 0.16 -1.46 -0.19 0.00 0.82 0.00 0.00 66.70 66.03 2jvw h VAL 25 Cb 0.55 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2jvw h VAL 25 CO 0.03 0.43 -0.66 -0.33 0.02 0.00 0.00 177.57 177.06 2jvw h GLU 26 N 0.14 0.67 0.00 1.57 5.08 -0.75 -3.21 114.58 118.08 2jvw h GLU 26 Ca 0.01 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2jvw h GLU 26 Cb 0.77 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2jvw h GLU 26 CO 0.06 1.17 -1.86 0.72 -1.00 0.00 0.00 179.01 178.09 2jvw n HIS 27 N -4.07 0.01 0.01 4.33 8.25 0.17 -4.81 115.22 119.11 2jvw n HIS 27 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2jvw n HIS 27 Cb 0.68 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.17 -0.03 0.00 4.41 4.01 0.64 -5.06 117.16 118.96 2jvw n TYR 28 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2jvw n TYR 28 Cb 0.54 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 3.37 2.60 0.24 2.72 0.00 -0.57 -4.80 105.19 108.76 2jvw n GLY 29 Ca 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.90 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 0.45 0.44 1.61 4.06 -1.88 -3.05 115.95 117.58 2jvw h TRP 30 Ca 0.00 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 2jvw h TRP 30 Cb 0.00 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2jvw h TRP 30 CO 0.00 0.59 -0.25 0.93 -3.56 0.00 0.00 178.44 176.15 2jvw h GLU 31 N 0.38 -0.63 -0.54 0.49 4.39 -1.89 0.92 114.58 117.70 2jvw h GLU 31 Ca 0.06 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2jvw h GLU 31 Cb 0.56 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2jvw h GLU 31 CO 0.04 -0.42 0.33 0.93 -1.16 0.00 0.00 179.01 178.73 2jvw h GLU 32 N -0.65 0.64 -0.50 2.33 4.39 -1.86 -0.36 114.58 118.56 2jvw h GLU 32 Ca -0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2jvw h GLU 32 Cb 0.52 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2jvw h GLU 32 CO 0.07 0.42 0.29 -0.07 -1.16 0.00 0.00 179.01 178.56 2jvw h LEU 33 N 0.65 0.61 -1.17 1.33 3.38 -1.41 -0.94 115.31 117.76 2jvw h LEU 33 Ca 0.21 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2jvw h LEU 33 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jvw h LEU 33 CO -0.09 0.50 -0.39 -1.28 0.09 0.00 0.00 178.44 177.27 2jvw h SER 34 N 0.67 0.05 0.01 -0.43 0.87 -0.46 -0.85 113.55 113.41 2jvw h SER 34 Ca 0.18 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 2jvw h SER 34 Cb 0.01 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2jvw h SER 34 CO -0.03 0.44 -0.53 0.22 -0.53 0.00 0.00 176.83 176.39 2jvw h TYR 35 N 0.04 0.52 -0.27 2.24 3.20 -0.75 -3.35 116.97 118.60 2jvw h TYR 35 Ca 0.00 -0.29 -0.15 0.00 3.14 0.00 0.00 58.73 61.43 2jvw h TYR 35 Cb 0.71 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2jvw h TYR 35 CO 0.00 1.11 -0.43 0.52 -1.64 0.00 0.00 178.16 177.72 2jvw h MET 36 N -0.22 0.77 -4.72 1.82 2.86 -1.15 -3.39 114.93 110.89 2jvw h MET 36 Ca -0.07 -0.47 -0.70 0.00 -2.06 0.00 0.00 59.70 56.40 2jvw h MET 36 Cb 1.27 0.05 -0.20 0.00 0.06 0.00 0.00 31.60 32.78 2jvw h MET 36 CO 0.10 1.09 -0.12 0.08 1.06 0.00 0.00 176.91 179.12 2jvw s VAL 37 N -4.17 5.03 -0.88 -2.22 1.01 -0.33 -4.99 120.40 113.85 2jvw s VAL 37 Ca -0.12 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 2jvw s VAL 37 Cb 0.09 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 2jvw s VAL 37 CO 0.86 -0.66 1.94 0.59 0.00 0.00 0.00 175.10 177.82 2jvw n ASN 38 N 5.74 2.73 -3.83 3.32 4.13 -1.26 -4.57 115.26 121.52 2jvw n ASN 38 Ca -0.09 -2.70 -0.10 0.00 1.68 0.00 0.00 54.58 53.38 2jvw n ASN 38 Cb 0.45 -1.26 -0.08 0.00 -1.54 0.00 0.00 39.78 37.35 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 5.95 0.11 -1.16 2.41 -4.36 -1.26 -5.09 121.20 117.81 2jvw s ILE 39 Ca 0.59 -0.93 -0.10 0.00 -0.26 0.00 0.00 60.65 59.94 2jvw s ILE 39 Cb 0.12 -1.03 0.24 0.00 1.25 0.00 0.00 42.46 43.03 2jvw s ILE 39 CO 0.11 -0.51 1.30 -3.20 0.24 0.00 0.00 174.94 172.87 2jvw n ASN 40 N 0.46 5.46 0.11 4.36 5.15 -1.26 -4.58 115.26 124.96 2jvw n ASN 40 Ca -0.18 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 50.76 2jvw n ASN 40 Cb 0.60 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 2jvw n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jvw h PHE 42 N 0.00 0.00 -0.67 0.00 0.04 -1.90 -0.80 116.94 113.61 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 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2jvw h PHE 42 CO 0.00 0.04 0.00 1.17 -0.60 0.00 0.00 178.31 178.92 2jvw n LYS 43 N -3.31 2.56 -3.84 1.51 3.00 -1.26 -4.53 118.16 112.29 2jvw n LYS 43 Ca -0.02 -2.42 -0.30 0.00 -0.00 0.00 0.00 58.31 55.58 2jvw n LYS 43 Cb 0.19 -1.52 -0.15 0.00 0.00 0.00 0.00 35.03 33.55 2jvw n LYS 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2jvw s LYS 44 N -1.10 1.08 -0.73 1.64 2.20 -0.31 -4.87 119.74 117.65 2jvw s LYS 44 Ca 0.45 -1.08 -0.03 0.00 -0.36 0.00 0.00 55.97 54.96 2jvw s LYS 44 Cb 0.23 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 2jvw s LYS 44 CO 0.31 -0.82 0.67 -0.25 -0.36 0.00 0.00 175.35 174.89 2jvw n ASP 45 N 4.74 -7.01 -4.54 1.43 9.92 -1.26 -4.71 116.55 115.12 2jvw n ASP 45 Ca -0.05 -0.25 -0.23 0.00 -0.53 0.00 0.00 54.79 53.74 2jvw n ASP 45 Cb 0.43 -4.30 -0.10 0.00 -0.64 0.00 0.00 41.12 36.51 2jvw n ASP 45 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2jvw n PRO 46 N -1.81 0.49 -3.99 -0.24 -0.04 -1.26 -4.89 135.00 123.25 2jvw n PRO 46 Ca -0.07 -0.40 -0.19 0.00 -0.04 0.00 0.00 63.50 62.79 2jvw n PRO 46 Cb 0.55 -2.85 -0.17 0.00 -0.04 0.00 0.00 33.50 31.00 2jvw n PRO 46 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jvw s SER 47 N 8.70 0.89 0.08 3.54 0.01 -1.26 -5.06 113.70 120.60 2jvw s SER 47 Ca 1.07 -0.08 -0.33 0.00 1.31 0.00 0.00 55.95 57.92 2jvw s SER 47 Cb -0.41 -0.36 -0.17 0.00 0.21 0.00 0.00 66.02 65.29 2jvw s SER 47 CO 0.27 -0.10 1.61 0.40 0.41 0.00 0.00 173.24 175.83 2jvw h ILE 48 N 6.22 0.26 -0.79 1.44 1.08 -1.99 -1.49 117.51 122.24 2jvw h ILE 48 Ca -0.35 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.20 2jvw h ILE 48 Cb 1.14 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 2jvw h ILE 48 CO 0.42 0.00 0.45 0.11 -0.69 0.00 0.00 178.15 178.44 2jvw h LYS 49 N -0.90 0.75 -0.14 2.37 1.57 -1.99 -0.61 116.57 117.62 2jvw h LYS 49 Ca -0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2jvw h LYS 49 Cb 0.73 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2jvw h LYS 49 CO 0.07 0.50 0.01 1.03 -0.57 0.00 0.00 179.45 180.49 2jvw h SER 50 N 0.77 0.23 -0.80 0.86 0.87 -1.93 -2.73 113.55 110.83 2jvw h SER 50 Ca 0.37 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2jvw h SER 50 Cb 0.30 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2jvw h SER 50 CO -0.23 0.47 0.52 0.28 -0.53 0.00 0.00 176.83 177.34 2jvw h SER 51 N -0.01 0.87 -0.20 6.23 0.02 -0.75 -1.20 113.55 118.50 2jvw h SER 51 Ca 0.04 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2jvw h SER 51 Cb 0.34 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2jvw h SER 51 CO 0.01 0.61 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.16 2jvw h LEU 52 N 1.03 -0.26 -1.13 5.07 3.38 -1.09 -0.19 115.31 122.12 2jvw h LEU 52 Ca 0.31 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.36 2jvw h LEU 52 Cb -0.04 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2jvw h LEU 52 CO -0.09 -0.10 0.57 0.50 0.09 0.00 0.00 178.44 179.41 2jvw h LYS 53 N -0.04 1.16 -0.68 1.13 3.64 -1.13 -1.61 116.57 119.04 2jvw h LYS 53 Ca 0.11 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2jvw h LYS 53 Cb 0.20 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2jvw h LYS 53 CO -0.23 0.77 0.27 0.35 -2.27 0.00 0.00 179.45 178.34 2jvw h PHE 54 N 1.19 1.03 -0.22 1.91 3.57 -0.59 -2.52 116.94 121.31 2jvw h PHE 54 Ca 0.32 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2jvw h PHE 54 Cb -0.13 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.29 2jvw h PHE 54 CO 0.00 0.80 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.67 2jvw h LEU 55 N 0.96 0.35 -0.39 0.59 3.38 -0.47 0.23 115.31 119.95 2jvw h LEU 55 Ca 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2jvw h LEU 55 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jvw h LEU 55 CO -0.02 0.52 0.12 0.03 0.09 0.00 0.00 178.44 179.18 2jvw h ARG 56 N 0.34 0.60 0.04 1.13 2.47 -0.96 -3.26 114.38 114.73 2jvw h ARG 56 Ca 0.06 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2jvw h ARG 56 Cb 0.46 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2jvw h ARG 56 CO 0.03 0.61 -0.02 1.57 0.56 0.00 0.00 179.97 182.71 2jvw h LYS 57 N 0.48 -0.06 -5.59 0.04 2.10 -1.26 -3.39 116.57 108.90 2jvw h LYS 57 Ca 0.12 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 58.11 2jvw h LYS 57 Cb 0.26 0.01 -0.12 0.00 -0.90 0.00 0.00 32.23 31.48 2jvw h LYS 57 CO -0.00 0.47 1.59 0.99 -2.00 0.00 0.00 179.45 180.49 2jvw s THR 58 N -2.34 4.33 0.14 0.07 2.01 0.79 -4.87 115.64 115.77 2jvw s THR 58 Ca -0.11 -1.62 -0.16 0.00 0.31 0.00 0.00 61.69 60.11 2jvw s THR 58 Cb -0.01 -5.03 0.01 0.00 0.01 0.00 0.00 72.50 67.48 2jvw s THR 58 CO 0.41 -1.83 1.72 -0.78 -0.69 0.00 0.00 174.62 173.45 2jvw h ASP 59 N 8.42 0.55 -0.59 3.53 3.58 -1.76 -2.70 116.42 127.45 2jvw h ASP 59 Ca 0.29 -0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.67 2jvw h ASP 59 Cb 0.94 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2jvw h ASP 59 CO 1.35 0.52 0.39 4.11 -2.88 0.00 0.00 179.24 182.73 2jvw h TRP 60 N 0.53 0.60 -0.70 0.28 5.08 -1.89 -0.19 115.95 119.66 2jvw h TRP 60 Ca 0.14 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.11 2jvw h TRP 60 Cb 0.12 -0.20 -0.03 0.00 -3.00 0.00 0.00 29.16 26.05 2jvw h TRP 60 CO -0.01 0.33 0.36 0.00 -1.28 0.00 0.00 178.44 177.83 2jvw h ALA 61 N 1.67 0.89 -0.61 0.11 0.00 -1.81 -1.20 119.26 118.32 2jvw h ALA 61 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jvw h ALA 61 Cb 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2jvw h ALA 61 CO -0.07 0.43 0.36 -0.09 0.00 0.00 0.00 179.25 179.88 2jvw h ARG 62 N 0.96 0.68 -0.67 0.00 1.12 -0.98 -0.78 114.38 114.71 2jvw h ARG 62 Ca 0.24 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.05 2jvw h ARG 62 Cb 0.08 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 2jvw h ARG 62 CO -0.03 0.45 0.32 0.93 -3.11 0.00 0.00 179.97 178.52 2jvw h GLU 63 N 0.70 0.95 -0.27 0.20 5.08 -0.92 -1.84 114.58 118.48 2jvw h GLU 63 Ca 0.26 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2jvw h GLU 63 Cb 0.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2jvw h GLU 63 CO -0.13 0.73 0.12 0.00 -1.00 0.00 0.00 179.01 178.74 2jvw h ARG 64 N 0.94 0.39 -0.68 2.33 2.47 -0.58 -2.50 114.38 116.75 2jvw h ARG 64 Ca 0.23 -0.06 0.08 0.00 -1.26 0.00 0.00 59.98 58.97 2jvw h ARG 64 Cb 0.10 -0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.29 2jvw h ARG 64 CO -0.03 0.39 0.34 0.28 0.56 0.00 0.00 179.97 181.52 2jvw h VAL 65 N 0.29 0.88 -0.46 2.04 2.07 -0.69 -0.09 116.25 120.29 2jvw h VAL 65 Ca 0.09 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2jvw h VAL 65 Cb 0.14 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2jvw h VAL 65 CO -0.01 0.11 0.25 -0.33 0.02 0.00 0.00 177.57 177.61 2jvw h GLU 66 N 0.60 0.48 -0.58 1.57 5.08 -1.25 -1.90 114.58 118.58 2jvw h GLU 66 Ca 0.33 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2jvw h GLU 66 Cb 0.31 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2jvw h GLU 66 CO -0.24 0.32 0.30 -0.97 -1.00 0.00 0.00 179.01 177.41 2jvw h ASN 67 N 0.49 0.71 -0.79 1.42 -1.24 -0.85 -1.57 115.58 113.76 2jvw h ASN 67 Ca 0.20 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2jvw h ASN 67 Cb 0.08 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 2jvw h ASN 67 CO -0.12 0.59 0.46 0.40 -1.29 0.00 0.00 177.43 177.47 2jvw h ILE 68 N 0.80 1.23 -0.50 2.57 2.04 -0.45 -1.16 117.51 122.03 2jvw h ILE 68 Ca 0.20 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2jvw h ILE 68 Cb 0.05 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2jvw h ILE 68 CO -0.03 0.24 0.12 0.22 0.00 0.00 0.00 178.15 178.70 2jvw h TYR 69 N 1.08 0.78 -0.55 1.37 3.20 -0.57 -2.01 116.97 120.27 2jvw h TYR 69 Ca 0.28 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2jvw h TYR 69 Cb -0.02 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2jvw h TYR 69 CO -0.00 0.66 0.17 -0.07 -1.64 0.00 0.00 178.16 177.27 2jvw h LEU 70 N 0.74 0.76 -1.00 2.82 3.38 -0.67 -0.29 115.31 121.05 2jvw h LEU 70 Ca 0.17 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2jvw h LEU 70 Cb 0.27 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2jvw h LEU 70 CO -0.00 0.73 0.65 0.11 0.09 0.00 0.00 178.44 180.01 2jvw h LYS 71 N 0.80 1.16 -0.27 1.13 1.57 -0.52 -1.44 116.57 119.00 2jvw h LYS 71 Ca 0.18 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2jvw h LYS 71 Cb 0.24 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jvw h LYS 71 CO -0.01 0.77 0.06 1.25 -0.57 0.00 0.00 179.45 180.95 2jvw h LEU 72 N 1.19 0.41 -1.07 2.94 5.85 -0.80 -3.11 115.31 120.72 2jvw h LEU 72 Ca 0.43 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jvw h LEU 72 Cb 0.14 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2jvw h LEU 72 CO -0.17 0.53 0.53 1.56 -0.34 0.00 0.00 178.44 180.55 2jvw h GLN 73 N 0.26 1.16 0.00 1.25 1.08 -0.54 0.47 115.11 118.80 2jvw h GLN 73 Ca 0.08 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2jvw h GLN 73 Cb 0.28 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2jvw h GLN 73 CO 0.00 0.81 0.00 2.89 -0.95 0.00 0.00 178.83 181.58 2jvw n ARG 74 N -4.37 0.07 -0.01 1.46 1.85 -0.59 -2.57 116.66 112.50 2jvw n ARG 74 Ca 0.09 0.20 0.07 0.00 -1.00 0.00 0.00 57.85 57.22 2jvw n ARG 74 Cb 0.06 -1.61 -0.11 0.00 -1.05 0.00 0.00 32.46 29.75 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 -1.73 0.00 -2.04 2.89 -0.00 -0.52 -5.03 115.22 108.78 2jvw n HIS 75 Ca 0.05 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.94 2jvw n HIS 75 Cb 0.26 -0.27 0.05 0.00 -0.12 0.00 0.00 29.99 29.91 2jvw n HIS 75 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2jvw s LYS 76 N -2.89 2.75 -0.37 1.57 2.20 0.15 -4.95 119.74 118.21 2jvw s LYS 76 Ca -0.03 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 2jvw s LYS 76 Cb 0.10 -2.09 -0.08 0.00 -1.51 0.00 0.00 37.83 34.25 2jvw s LYS 76 CO 0.60 -1.01 2.31 -0.85 -0.36 0.00 0.00 175.35 176.04 2jvw n GLU 77 N -2.92 1.39 -2.46 4.03 0.28 -1.26 -4.92 120.64 114.78 2jvw n GLU 77 Ca 0.06 0.29 -0.43 0.00 -0.16 0.00 0.00 57.16 56.92 2jvw n GLU 77 Cb 0.58 -3.05 -0.02 0.00 1.43 0.00 0.00 31.44 30.37 2jvw n GLU 77 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jvw s ARG 78 N 7.08 4.24 0.16 3.44 0.52 -1.26 -4.98 118.95 128.15 2jvw s ARG 78 Ca 1.04 1.62 -0.32 0.00 -0.52 0.00 0.00 55.73 57.55 2jvw s ARG 78 Cb -0.44 -3.73 -0.12 0.00 0.52 0.00 0.00 34.95 31.17 2jvw s ARG 78 CO 0.36 -0.68 1.72 0.09 0.02 0.00 0.00 175.30 176.81 2jvw n ASN 79 N 6.47 3.73 -2.53 0.23 4.13 -1.26 -5.00 115.26 121.03 2jvw n ASN 79 Ca 0.13 1.04 0.00 0.00 1.68 0.00 0.00 54.58 57.44 2jvw n ASN 79 Cb 0.45 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.18 2jvw n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jvw n GLN 80 N 4.36 0.13 -0.94 3.52 0.00 -1.26 -5.06 117.38 118.13 2jvw n GLN 80 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 57.00 56.87 2jvw n GLN 80 Cb 0.33 0.00 0.26 0.00 0.00 0.00 0.00 30.24 30.83 2jvw n GLN 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jvw s LEU 81 N 0.00 0.27 0.00 2.61 1.02 -1.26 -5.27 118.68 116.05 2jvw s LEU 81 Ca 0.00 0.60 0.31 0.00 0.02 0.00 0.00 54.13 55.06 2jvw s LEU 81 Cb 0.00 -2.22 1.62 0.00 0.02 0.00 0.00 46.19 45.60 2jvw s LEU 81 CO 0.00 -4.47 2.06 -0.62 0.02 0.00 0.00 176.35 173.34