#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 3.26 0.16 3.04 0.00 -1.26 -5.14 121.76 121.82 2jvw s ALA 2 Ca 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2jvw s ALA 2 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2jvw s ALA 2 CO 0.00 0.45 0.27 -0.51 0.00 0.00 0.00 175.76 175.97 2jvw s LEU 3 N -3.09 4.27 -1.10 0.00 1.02 -1.26 -5.03 118.68 113.49 2jvw s LEU 3 Ca 0.29 0.13 -0.22 0.00 0.02 0.00 0.00 54.13 54.34 2jvw s LEU 3 Cb -0.09 -2.84 0.02 0.00 0.02 0.00 0.00 46.19 43.30 2jvw s LEU 3 CO 0.20 0.05 1.68 -0.63 0.02 0.00 0.00 176.35 177.66 2jvw s ILE 4 N -1.76 3.85 -0.65 -0.59 1.01 -1.26 -4.94 121.20 116.86 2jvw s ILE 4 Ca 0.34 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 2jvw s ILE 4 Cb -0.11 -4.86 0.01 0.00 0.01 0.00 0.00 42.46 37.52 2jvw s ILE 4 CO 0.28 -1.67 1.45 -0.32 0.00 0.00 0.00 174.94 174.67 2jvw s MET 5 N 5.30 3.11 -1.20 2.79 1.75 -1.26 -4.93 119.30 124.86 2jvw s MET 5 Ca 0.55 0.17 -0.21 0.00 -1.25 0.00 0.00 55.69 54.95 2jvw s MET 5 Cb -0.00 -4.20 -0.04 0.00 2.84 0.00 0.00 34.83 33.42 2jvw s MET 5 CO -0.00 -2.20 1.89 0.25 -0.65 0.00 0.00 175.02 174.30 2jvw n THR 6 N 6.71 2.56 0.50 10.11 -2.24 -1.26 -4.57 114.28 126.10 2jvw n THR 6 Ca 0.10 -2.62 0.05 0.00 -2.27 0.00 0.00 64.05 59.31 2jvw n THR 6 Cb 0.50 -2.25 -0.02 0.00 -2.10 0.00 0.00 70.33 66.46 2jvw n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jvw n GLN 7 N 8.12 2.43 -3.90 -0.78 10.64 -1.26 -5.02 117.38 127.61 2jvw n GLN 7 Ca 0.47 -0.46 -0.32 0.00 -1.83 0.00 0.00 57.00 54.86 2jvw n GLN 7 Cb 0.46 -1.09 -0.04 0.00 -0.86 0.00 0.00 30.24 28.70 2jvw n GLN 7 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jvw s GLN 8 N -1.62 3.45 0.10 2.61 0.00 -1.26 -5.10 119.66 117.84 2jvw s GLN 8 Ca 0.08 -0.36 -0.10 0.00 -0.00 0.00 0.00 55.36 54.98 2jvw s GLN 8 Cb 0.09 -3.06 -0.06 0.00 0.00 0.00 0.00 33.01 29.98 2jvw s GLN 8 CO 0.33 0.63 0.42 0.54 0.00 0.00 0.00 175.29 177.20 2jvw s ASN 9 N -2.25 6.64 -0.43 12.60 2.20 -1.26 -5.07 114.94 127.37 2jvw s ASN 9 Ca 0.32 0.79 0.02 0.00 -0.94 0.00 0.00 52.86 53.06 2jvw s ASN 9 Cb -0.13 -2.18 0.15 0.00 -2.00 0.00 0.00 41.25 37.09 2jvw s ASN 9 CO 0.24 0.14 0.28 0.21 -2.94 0.00 0.00 177.10 175.03 2jvw s ASN 10 N -1.86 2.91 0.00 3.54 3.84 -1.26 -4.96 114.94 117.15 2jvw s ASN 10 Ca 0.35 -2.73 0.12 0.00 0.21 0.00 0.00 52.86 50.82 2jvw s ASN 10 Cb -0.14 -0.72 0.54 0.00 -0.55 0.00 0.00 41.25 40.39 2jvw s ASN 10 CO 0.19 -0.24 1.38 -0.81 -2.79 0.00 0.00 177.10 174.83 2jvw n PRO 11 N 3.36 1.36 -0.33 0.43 -0.04 -1.26 -3.90 135.00 134.62 2jvw n PRO 11 Ca 0.17 -0.56 0.08 0.00 -0.04 0.00 0.00 63.50 63.15 2jvw n PRO 11 Cb 0.39 -1.23 0.18 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.14 2.61 0.00 1.53 -0.00 -1.26 -4.64 117.00 115.10 2jvw n LEU 12 Ca 0.10 -3.46 0.14 0.00 -0.00 0.00 0.00 56.01 52.79 2jvw n LEU 12 Cb 0.16 -0.48 0.63 0.00 -0.00 0.00 0.00 43.42 43.73 2jvw n LEU 12 CO 0.08 1.02 0.96 1.57 -0.00 0.00 0.00 177.39 181.02 2jvw n HIS 13 N -1.27 0.00 -1.79 1.47 -0.00 -1.25 -4.57 115.22 107.81 2jvw n HIS 13 Ca 0.18 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.06 2jvw n HIS 13 Cb 0.68 -0.44 -0.07 0.00 -0.12 0.00 0.00 29.99 30.04 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 1.31 1.09 3.75 1.57 0.00 -1.26 -4.94 105.19 106.70 2jvw n GLY 14 Ca 0.09 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 10.61 2.82 0.78 -0.61 1.01 -1.26 -5.01 121.20 129.54 2jvw s ILE 15 Ca 0.68 0.71 -0.11 0.00 0.00 0.00 0.00 60.65 61.93 2jvw s ILE 15 Cb 0.02 -3.45 0.06 0.00 0.01 0.00 0.00 42.46 39.10 2jvw s ILE 15 CO 0.15 0.12 1.08 0.42 0.00 0.00 0.00 174.94 176.72 2jvw s THR 16 N -0.20 3.34 0.23 2.92 -4.23 -1.26 -4.69 115.64 111.75 2jvw s THR 16 Ca 0.56 0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 2jvw s THR 16 Cb -0.40 -3.02 0.19 0.00 1.34 0.00 0.00 72.50 70.61 2jvw s THR 16 CO 0.44 -0.57 1.76 0.25 -0.54 0.00 0.00 174.62 175.96 2jvw h LEU 17 N -1.10 0.39 0.37 4.79 5.85 -1.98 0.30 115.31 123.94 2jvw h LEU 17 Ca -0.45 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2jvw h LEU 17 Cb 1.24 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2jvw h LEU 17 CO 0.55 0.20 -0.25 -0.61 -0.34 0.00 0.00 178.44 177.99 2jvw h GLN 18 N 0.54 -0.58 -0.16 1.25 -0.00 -2.00 -0.06 115.11 114.10 2jvw h GLN 18 Ca 0.37 0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.97 2jvw h GLN 18 Cb 0.47 0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 2jvw h GLN 18 CO -0.32 -0.39 -0.32 -0.22 0.00 0.00 0.00 178.83 177.58 2jvw h LYS 19 N -0.60 0.31 -0.06 1.69 1.63 -1.82 -2.35 116.57 115.37 2jvw h LYS 19 Ca -0.04 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2jvw h LYS 19 Cb 0.51 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2jvw h LYS 19 CO 0.03 0.60 0.03 1.25 -3.45 0.00 0.00 179.45 177.91 2jvw h LEU 20 N 0.27 0.08 -0.71 5.20 6.46 -0.13 0.10 115.31 126.58 2jvw h LEU 20 Ca 0.04 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2jvw h LEU 20 Cb 0.70 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2jvw h LEU 20 CO 0.05 0.20 0.46 0.25 -0.62 0.00 0.00 178.44 178.78 2jvw h LEU 21 N -0.04 0.77 -0.33 2.25 5.85 -0.95 -1.26 115.31 121.61 2jvw h LEU 21 Ca 0.02 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2jvw h LEU 21 Cb 0.14 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2jvw h LEU 21 CO -0.00 0.55 0.07 0.74 -0.34 0.00 0.00 178.44 179.46 2jvw h THR 22 N 0.92 0.85 -0.38 1.05 2.02 -1.13 -1.61 112.91 114.63 2jvw h THR 22 Ca 0.27 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.46 2jvw h THR 22 Cb -0.05 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 66.93 2jvw h THR 22 CO -0.08 0.04 -0.09 -0.33 0.37 0.00 0.00 175.52 175.43 2jvw h GLU 23 N 0.19 0.01 -0.78 6.66 4.39 -0.30 0.11 114.58 124.87 2jvw h GLU 23 Ca 0.15 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.87 2jvw h GLU 23 Cb 0.16 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2jvw h GLU 23 CO -0.19 0.01 0.51 -0.07 -1.16 0.00 0.00 179.01 178.11 2jvw h LEU 24 N 0.01 0.86 -0.25 1.33 3.38 -0.74 0.18 115.31 120.08 2jvw h LEU 24 Ca 0.18 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 2jvw h LEU 24 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jvw h LEU 24 CO -0.39 0.61 -0.64 0.58 0.09 0.00 0.00 178.44 178.69 2jvw h VAL 25 N 1.01 1.27 -0.57 1.22 2.07 -0.71 0.29 116.25 120.83 2jvw h VAL 25 Ca 0.30 -1.83 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 2jvw h VAL 25 Cb -0.04 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2jvw h VAL 25 CO -0.08 0.59 0.12 -0.33 0.02 0.00 0.00 177.57 177.89 2jvw h GLU 26 N 0.62 0.90 0.00 1.57 4.39 -0.11 -3.04 114.58 118.91 2jvw h GLU 26 Ca -0.01 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 2jvw h GLU 26 Cb 1.26 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2jvw h GLU 26 CO 0.14 0.82 -1.00 0.72 -1.16 0.00 0.00 179.01 178.53 2jvw n HIS 27 N -4.25 0.72 0.00 4.33 8.25 0.58 -4.85 115.22 120.00 2jvw n HIS 27 Ca 0.04 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2jvw n HIS 27 Cb 0.25 -0.85 0.00 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 -4.51 0.00 0.00 4.41 4.01 0.87 -5.08 117.16 116.86 2jvw n TYR 28 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2jvw n TYR 28 Cb 0.48 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.78 3.62 0.08 2.72 0.00 -0.33 -4.80 105.19 108.26 2jvw n GLY 29 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 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 0.14 -0.64 1.61 4.06 -1.87 -2.24 115.95 117.02 2jvw h TRP 30 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 2jvw h TRP 30 Cb 0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 2jvw h TRP 30 CO 0.00 0.09 0.18 0.93 -3.56 0.00 0.00 178.44 176.07 2jvw h GLU 31 N 0.16 0.99 -0.96 0.49 5.08 -1.95 0.47 114.58 118.86 2jvw h GLU 31 Ca 0.05 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2jvw h GLU 31 Cb -0.01 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 2jvw h GLU 31 CO -0.02 0.86 0.63 0.93 -1.00 0.00 0.00 179.01 180.42 2jvw h GLU 32 N 0.95 1.24 -0.41 2.33 4.39 -1.82 0.24 114.58 121.49 2jvw h GLU 32 Ca 0.21 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 2jvw h GLU 32 Cb 0.31 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jvw h GLU 32 CO -0.00 0.82 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.42 2jvw h LEU 33 N 1.27 0.86 -1.76 1.33 3.38 -0.79 -0.63 115.31 118.98 2jvw h LEU 33 Ca 0.36 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jvw h LEU 33 Cb -0.11 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 2jvw h LEU 33 CO -0.09 1.06 -0.14 -1.28 0.09 0.00 0.00 178.44 178.08 2jvw h SER 34 N 0.65 0.00 0.00 -0.43 0.87 -0.27 0.28 113.55 114.67 2jvw h SER 34 Ca 0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2jvw h SER 34 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2jvw h SER 34 CO 0.06 0.14 -0.05 0.22 -0.53 0.00 0.00 176.83 176.66 2jvw h TYR 35 N 0.00 0.05 0.00 2.24 3.20 -0.30 -3.26 116.97 118.90 2jvw h TYR 35 Ca -0.00 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2jvw h TYR 35 Cb 0.27 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2jvw h TYR 35 CO 0.00 0.90 -0.22 0.52 -1.64 0.00 0.00 178.16 177.72 2jvw h MET 36 N -0.82 0.00 -2.96 1.82 2.86 -0.98 -3.37 114.93 111.47 2jvw h MET 36 Ca -0.01 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.02 2jvw h MET 36 Cb 0.92 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.18 2jvw h MET 36 CO 0.01 0.22 -0.74 0.08 1.06 0.00 0.00 176.91 177.54 2jvw s VAL 37 N -3.42 1.39 -1.09 -2.22 1.01 0.98 -5.06 120.40 111.99 2jvw s VAL 37 Ca 0.03 -2.61 -0.22 0.00 0.00 0.00 0.00 61.98 59.17 2jvw s VAL 37 Cb 0.09 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 2jvw s VAL 37 CO 0.66 -0.92 1.76 0.21 0.00 0.00 0.00 175.10 176.81 2jvw s ASN 38 N 0.28 5.88 0.04 3.32 2.47 -1.23 -4.41 114.94 121.29 2jvw s ASN 38 Ca 0.19 -1.53 0.05 0.00 0.42 0.00 0.00 52.86 51.98 2jvw s ASN 38 Cb -0.22 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 36.98 2jvw s ASN 38 CO -0.01 -2.13 -0.14 0.27 -3.72 0.00 0.00 177.10 171.37 2jvw s ILE 39 N 7.57 1.09 -1.42 -5.21 -4.36 -1.26 -5.05 121.20 112.57 2jvw s ILE 39 Ca 0.59 -1.05 -0.11 0.00 -0.26 0.00 0.00 60.65 59.82 2jvw s ILE 39 Cb -0.01 -1.01 -0.05 0.00 1.25 0.00 0.00 42.46 42.64 2jvw s ILE 39 CO 0.02 -0.05 2.57 -3.20 0.24 0.00 0.00 174.94 174.53 2jvw n ASN 40 N 1.78 6.48 0.00 4.36 5.15 -1.26 -3.63 115.26 128.14 2jvw n ASN 40 Ca -0.19 -2.61 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 2jvw n ASN 40 Cb 0.55 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 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 -0.01 0.00 0.04 -1.89 -2.84 116.94 112.25 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 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2jvw h PHE 42 CO 0.00 0.00 -0.19 1.63 -0.60 0.00 0.00 178.31 179.15 2jvw n LYS 43 N -2.84 0.87 -3.58 1.51 5.02 -1.26 -4.56 118.16 113.33 2jvw n LYS 43 Ca 0.02 -0.46 -0.12 0.00 -2.02 0.00 0.00 58.31 55.73 2jvw n LYS 43 Cb 0.33 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 2jvw n LYS 43 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2jvw s LYS 44 N -2.45 0.23 -0.54 1.97 -2.85 -1.07 -4.97 119.74 110.07 2jvw s LYS 44 Ca 0.27 0.70 -0.03 0.00 -1.00 0.00 0.00 55.97 55.91 2jvw s LYS 44 Cb 0.20 -0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.77 2jvw s LYS 44 CO 0.49 -0.40 0.54 -0.25 0.10 0.00 0.00 175.35 175.83 2jvw n ASP 45 N 5.36 -6.70 -1.37 0.03 8.00 -1.26 -4.67 116.55 115.94 2jvw n ASP 45 Ca -0.06 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jvw n ASP 45 Cb 0.50 -4.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 2jvw n ASP 45 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jvw n PRO 46 N -1.32 0.92 -3.48 -0.24 -0.04 -1.26 -4.51 135.00 125.07 2jvw n PRO 46 Ca 0.02 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 2jvw n PRO 46 Cb 0.47 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.68 6.78 0.17 3.54 0.01 -1.26 -4.99 113.70 119.63 2jvw s SER 47 Ca 0.00 0.96 -0.21 0.00 1.31 0.00 0.00 55.95 58.01 2jvw s SER 47 Cb 0.00 -2.24 0.09 0.00 0.21 0.00 0.00 66.02 64.08 2jvw s SER 47 CO 0.00 0.24 1.61 0.40 0.41 0.00 0.00 173.24 175.90 2jvw h ILE 48 N 3.30 0.30 -0.86 1.44 1.08 -2.00 -1.37 117.51 119.40 2jvw h ILE 48 Ca -0.50 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.99 2jvw h ILE 48 Cb 1.21 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 2jvw h ILE 48 CO 0.64 0.00 0.57 0.11 -0.69 0.00 0.00 178.15 178.78 2jvw h LYS 49 N -0.19 1.08 0.23 2.37 1.79 -1.96 -0.23 116.57 119.66 2jvw h LYS 49 Ca 0.19 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2jvw h LYS 49 Cb 0.50 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2jvw h LYS 49 CO -0.53 0.71 -0.11 1.03 -1.08 0.00 0.00 179.45 179.47 2jvw h SER 50 N 1.11 -0.26 -0.53 0.86 0.87 -1.59 -2.71 113.55 111.30 2jvw h SER 50 Ca 0.33 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2jvw h SER 50 Cb -0.03 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2jvw h SER 50 CO -0.09 -0.08 0.11 0.77 -0.53 0.00 0.00 176.83 177.01 2jvw h SER 51 N -0.43 0.83 -0.90 6.23 4.64 -1.02 -2.80 113.55 120.10 2jvw h SER 51 Ca -0.03 -0.25 0.14 0.00 -0.47 0.00 0.00 61.79 61.19 2jvw h SER 51 Cb 0.33 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.11 2jvw h SER 51 CO 0.05 0.86 0.51 -0.07 -0.87 0.00 0.00 176.83 177.31 2jvw h LEU 52 N 0.76 0.66 -0.54 5.97 3.38 -1.04 0.63 115.31 125.14 2jvw h LEU 52 Ca 0.16 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2jvw h LEU 52 Cb 0.37 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2jvw h LEU 52 CO 0.01 0.30 0.30 0.11 0.09 0.00 0.00 178.44 179.24 2jvw h LYS 53 N 0.73 0.75 -0.68 1.13 1.57 -1.22 -1.28 116.57 117.57 2jvw h LYS 53 Ca 0.48 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.11 2jvw h LYS 53 Cb 0.63 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2jvw h LYS 53 CO -0.33 0.57 0.17 0.35 -0.57 0.00 0.00 179.45 179.64 2jvw h PHE 54 N 0.72 1.14 -0.40 -1.35 3.57 -1.04 -2.12 116.94 117.46 2jvw h PHE 54 Ca 0.19 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2jvw h PHE 54 Cb 0.04 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2jvw h PHE 54 CO -0.02 0.93 0.02 -0.07 -2.23 0.00 0.00 178.31 176.95 2jvw h LEU 55 N 1.02 0.59 -0.57 0.59 3.38 -0.72 0.14 115.31 119.75 2jvw h LEU 55 Ca 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2jvw h LEU 55 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jvw h LEU 55 CO 0.00 0.65 0.25 0.03 0.09 0.00 0.00 178.44 179.46 2jvw h ARG 56 N 0.60 0.83 -0.22 1.13 3.08 -0.94 -3.16 114.38 115.69 2jvw h ARG 56 Ca 0.13 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 2jvw h ARG 56 Cb 0.34 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2jvw h ARG 56 CO 0.01 0.69 -0.56 0.87 -1.07 0.00 0.00 179.97 179.91 2jvw h LYS 57 N 0.77 0.68 -4.61 0.04 1.57 -0.83 -3.42 116.57 110.77 2jvw h LYS 57 Ca 0.19 -0.43 -0.68 0.00 -1.87 0.00 0.00 60.65 57.85 2jvw h LYS 57 Cb 0.15 0.05 -0.35 0.00 0.08 0.00 0.00 32.23 32.16 2jvw h LYS 57 CO -0.02 1.05 -0.63 0.99 -0.57 0.00 0.00 179.45 180.27 2jvw s THR 58 N -4.02 2.94 0.07 -0.16 2.01 0.45 -4.99 115.64 111.93 2jvw s THR 58 Ca -0.09 -1.96 -0.27 0.00 0.31 0.00 0.00 61.69 59.69 2jvw s THR 58 Cb 0.11 -2.96 -0.17 0.00 0.01 0.00 0.00 72.50 69.49 2jvw s THR 58 CO 0.86 -0.51 1.63 0.44 -0.69 0.00 0.00 174.62 176.35 2jvw h ASP 59 N 7.92 -0.30 -0.02 3.53 5.19 -1.82 -2.65 116.42 128.28 2jvw h ASP 59 Ca -0.13 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2jvw h ASP 59 Cb 1.04 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 2jvw h ASP 59 CO 0.61 -0.16 0.02 4.11 -3.12 0.00 0.00 179.24 180.70 2jvw h TRP 60 N -0.41 0.00 -0.02 4.55 5.08 -1.94 -0.20 115.95 123.01 2jvw h TRP 60 Ca -0.04 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.86 2jvw h TRP 60 Cb 0.31 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.48 2jvw h TRP 60 CO -0.04 0.00 -0.29 0.00 -1.28 0.00 0.00 178.44 176.83 2jvw h ALA 61 N 1.97 0.06 -0.17 0.11 0.00 -1.87 -3.23 119.26 116.13 2jvw h ALA 61 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jvw h ALA 61 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jvw h ALA 61 CO -0.00 0.12 0.09 -0.09 0.00 0.00 0.00 179.25 179.37 2jvw h ARG 62 N -0.37 0.23 -0.87 0.00 2.43 -0.80 -2.68 114.38 112.32 2jvw h ARG 62 Ca -0.03 -0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.30 2jvw h ARG 62 Cb 1.01 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 2jvw h ARG 62 CO 0.06 0.25 0.58 0.93 -1.51 0.00 0.00 179.97 180.27 2jvw h GLU 63 N 0.16 0.42 -0.03 0.20 5.08 -1.23 -1.00 114.58 118.18 2jvw h GLU 63 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2jvw h GLU 63 Cb 0.09 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jvw h GLU 63 CO -0.01 0.28 -0.03 0.00 -1.00 0.00 0.00 179.01 178.25 2jvw h ARG 64 N 0.44 0.08 0.19 2.33 3.08 -1.51 -2.38 114.38 116.60 2jvw h ARG 64 Ca 0.45 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.47 2jvw h ARG 64 Cb 1.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 2jvw h ARG 64 CO -0.17 0.54 -0.27 0.28 -1.07 0.00 0.00 179.97 179.28 2jvw h VAL 65 N -0.39 0.42 -0.50 2.04 2.07 -0.91 -0.16 116.25 118.82 2jvw h VAL 65 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2jvw h VAL 65 Cb 0.53 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2jvw h VAL 65 CO 0.01 0.00 0.18 1.05 0.02 0.00 0.00 177.57 178.83 2jvw h GLU 66 N -0.52 0.73 -0.66 1.57 4.11 -1.38 -2.29 114.58 116.14 2jvw h GLU 66 Ca 0.01 -0.11 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 2jvw h GLU 66 Cb 0.52 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2jvw h GLU 66 CO -0.11 0.62 0.09 -0.97 0.07 0.00 0.00 179.01 178.71 2jvw h ASN 67 N 0.72 1.05 -0.59 3.06 -1.24 -1.04 -2.44 115.58 115.10 2jvw h ASN 67 Ca 0.17 -0.26 0.06 0.00 0.71 0.00 0.00 56.30 56.98 2jvw h ASN 67 Cb 0.18 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 2jvw h ASN 67 CO -0.01 1.05 0.30 0.40 -1.29 0.00 0.00 177.43 177.88 2jvw h ILE 68 N 1.02 0.94 -0.79 2.57 2.04 -0.46 0.98 117.51 123.81 2jvw h ILE 68 Ca 0.20 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2jvw h ILE 68 Cb 0.46 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2jvw h ILE 68 CO 0.02 0.10 0.39 0.22 0.00 0.00 0.00 178.15 178.88 2jvw h TYR 69 N 0.56 1.11 -0.23 1.37 3.20 -1.30 0.47 116.97 122.16 2jvw h TYR 69 Ca 0.27 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2jvw h TYR 69 Cb 0.19 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2jvw h TYR 69 CO -0.10 0.80 0.11 -0.07 -1.64 0.00 0.00 178.16 177.26 2jvw h LEU 70 N 1.12 0.30 -1.31 2.82 3.38 -0.85 -0.41 115.31 120.36 2jvw h LEU 70 Ca 0.27 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2jvw h LEU 70 Cb 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2jvw h LEU 70 CO -0.04 0.33 0.50 0.11 0.09 0.00 0.00 178.44 179.44 2jvw h LYS 71 N 0.24 0.84 -0.81 1.13 1.57 -0.52 -0.60 116.57 118.42 2jvw h LYS 71 Ca 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2jvw h LYS 71 Cb 0.11 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2jvw h LYS 71 CO -0.01 0.55 0.37 1.25 -0.57 0.00 0.00 179.45 181.04 2jvw h LEU 72 N 0.86 1.07 -0.24 2.94 5.85 -0.39 -2.13 115.31 123.27 2jvw h LEU 72 Ca 0.32 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2jvw h LEU 72 Cb 0.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2jvw h LEU 72 CO -0.10 0.91 0.12 1.56 -0.34 0.00 0.00 178.44 180.59 2jvw h GLN 73 N 1.15 0.34 0.00 1.25 1.08 0.50 0.71 115.11 120.14 2jvw h GLN 73 Ca 0.28 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.36 2jvw h GLN 73 Cb 0.14 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2jvw h GLN 73 CO -0.03 0.32 -0.35 0.07 -0.95 0.00 0.00 178.83 177.88 2jvw h ARG 74 N 0.27 0.00 -0.00 1.46 0.11 -1.41 -2.59 114.38 112.22 2jvw h ARG 74 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 2jvw h ARG 74 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2jvw h ARG 74 CO -0.01 0.35 -0.40 0.72 0.10 0.00 0.00 179.97 180.73 2jvw n HIS 75 N -3.94 0.00 -1.88 4.08 8.25 -0.81 -4.96 115.22 115.97 2jvw n HIS 75 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2jvw n HIS 75 Cb 0.41 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2jvw n HIS 75 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2jvw s LYS 76 N -2.78 4.17 0.42 -0.41 2.20 0.24 -5.01 119.74 118.57 2jvw s LYS 76 Ca 0.17 2.48 -0.19 0.00 -0.36 0.00 0.00 55.97 58.07 2jvw s LYS 76 Cb 0.18 -2.99 -0.10 0.00 -1.51 0.00 0.00 37.83 33.41 2jvw s LYS 76 CO 0.62 -0.45 0.91 -1.83 -0.36 0.00 0.00 175.35 174.24 2jvw s GLU 77 N -1.99 4.15 -0.05 4.03 -1.05 -1.26 -4.99 118.70 117.54 2jvw s GLU 77 Ca 0.52 1.00 -0.36 0.00 -0.15 0.00 0.00 54.97 55.98 2jvw s GLU 77 Cb -0.45 -2.23 -0.14 0.00 -0.44 0.00 0.00 34.13 30.88 2jvw s GLU 77 CO 0.60 -0.02 1.73 2.89 0.95 0.00 0.00 175.26 181.41 2jvw n ARG 78 N -0.70 1.85 -2.41 -4.83 0.00 -1.26 -4.89 116.66 104.41 2jvw n ARG 78 Ca 0.06 0.67 -0.39 0.00 -0.00 0.00 0.00 57.85 58.19 2jvw n ARG 78 Cb 0.54 -2.45 -0.03 0.00 -0.00 0.00 0.00 32.46 30.52 2jvw n ARG 78 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2jvw s ASN 79 N 2.86 5.98 0.08 2.89 -0.87 -1.26 -4.85 114.94 119.76 2jvw s ASN 79 Ca 0.90 -0.53 0.05 0.00 -1.57 0.00 0.00 52.86 51.71 2jvw s ASN 79 Cb -0.80 -2.56 0.27 0.00 -0.02 0.00 0.00 41.25 38.15 2jvw s ASN 79 CO 0.51 -1.94 1.14 0.00 -2.57 0.00 0.00 177.10 174.23 2jvw n GLN 80 N 9.20 0.03 -0.02 -0.60 10.64 -1.26 -4.61 117.38 130.76 2jvw n GLN 80 Ca 0.16 0.52 -0.00 0.00 -1.83 0.00 0.00 57.00 55.84 2jvw n GLN 80 Cb 0.50 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 2jvw n GLN 80 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2jvw n LEU 81 N -1.66 0.00 0.00 2.61 4.32 -1.26 -5.11 117.00 115.89 2jvw n LEU 81 Ca -0.00 -0.01 0.16 0.00 -0.02 0.00 0.00 56.01 56.13 2jvw n LEU 81 Cb 0.03 -0.01 0.94 0.00 -1.62 0.00 0.00 43.42 42.76 2jvw n LEU 81 CO 0.02 -0.64 1.10 -1.84 -1.22 0.00 0.00 177.39 174.81