#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvw n ALA 2 N 0.00 0.00 1.68 3.04 0.00 -1.26 -4.27 120.51 119.71 2jvw n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jvw n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jvw n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jvw n LEU 3 N 0.00 0.29 -3.53 0.00 4.77 -1.26 -4.87 117.00 112.41 2jvw n LEU 3 Ca 0.00 -0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 2jvw n LEU 3 Cb 0.00 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2jvw n LEU 3 CO 0.00 0.07 0.02 -0.38 -1.33 0.00 0.00 177.39 175.77 2jvw n ILE 4 N -0.35 -5.84 -2.18 -0.08 5.41 -1.26 -4.86 119.36 110.20 2jvw n ILE 4 Ca 0.00 -0.64 -0.31 0.00 1.00 0.00 0.00 62.75 62.80 2jvw n ILE 4 Cb 0.07 -4.70 -0.04 0.00 -0.71 0.00 0.00 39.64 34.26 2jvw n ILE 4 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 2jvw s MET 5 N -5.50 2.81 -0.20 0.38 -1.94 -1.26 -4.74 119.30 108.84 2jvw s MET 5 Ca 0.09 -0.45 -0.16 0.00 -1.71 0.00 0.00 55.69 53.45 2jvw s MET 5 Cb -0.02 -5.10 -0.08 0.00 2.01 0.00 0.00 34.83 31.64 2jvw s MET 5 CO 0.77 -3.06 -0.30 2.41 -0.01 0.00 0.00 175.02 174.82 2jvw n THR 6 N 7.60 1.50 -2.55 2.05 -1.04 -1.26 -4.86 114.28 115.73 2jvw n THR 6 Ca 0.37 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.97 2jvw n THR 6 Cb 0.48 -2.21 -0.04 0.00 -1.82 0.00 0.00 70.33 66.74 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 -2.70 4.59 -0.34 -2.82 -0.21 -1.26 -5.03 119.66 111.89 2jvw s GLN 7 Ca -0.30 1.67 -0.09 0.00 0.02 0.00 0.00 55.36 56.66 2jvw s GLN 7 Cb 0.07 -3.31 0.02 0.00 1.00 0.00 0.00 33.01 30.79 2jvw s GLN 7 CO 0.43 0.05 0.15 -1.14 -2.12 0.00 0.00 175.29 172.66 2jvw s GLN 8 N -0.07 2.95 0.53 2.91 0.74 -1.26 -5.10 119.66 120.36 2jvw s GLN 8 Ca 0.50 -0.97 -0.05 0.00 0.05 0.00 0.00 55.36 54.89 2jvw s GLN 8 Cb -0.28 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.26 2jvw s GLN 8 CO 0.33 -0.57 0.84 -0.80 -0.55 0.00 0.00 175.29 174.53 2jvw s ASN 9 N 1.52 5.90 -0.44 6.67 0.01 -1.26 -5.07 114.94 122.27 2jvw s ASN 9 Ca 0.02 0.78 -0.15 0.00 -0.71 0.00 0.00 52.86 52.79 2jvw s ASN 9 Cb -0.18 -1.93 0.05 0.00 0.41 0.00 0.00 41.25 39.60 2jvw s ASN 9 CO 0.05 -0.83 0.36 0.20 -1.51 0.00 0.00 177.10 175.36 2jvw s ASN 10 N -4.21 6.13 0.46 -1.22 -0.87 -1.26 -4.97 114.94 109.00 2jvw s ASN 10 Ca 0.51 -1.12 0.18 0.00 -1.57 0.00 0.00 52.86 50.86 2jvw s ASN 10 Cb -0.10 -2.17 1.15 0.00 -0.02 0.00 0.00 41.25 40.11 2jvw s ASN 10 CO 0.45 -0.56 1.96 1.55 -2.57 0.00 0.00 177.10 177.93 2jvw h PRO 11 N 8.70 0.27 -0.60 -0.60 0.13 -1.96 -1.58 132.00 136.36 2jvw h PRO 11 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2jvw h PRO 11 Cb 1.11 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2jvw h PRO 11 CO 0.81 0.18 0.00 1.28 -0.23 0.00 0.00 178.00 180.04 2jvw n LEU 12 N -4.45 0.60 -0.04 1.56 7.99 -1.26 -3.87 117.00 117.54 2jvw n LEU 12 Ca 0.11 -0.30 -0.12 0.00 -0.01 0.00 0.00 56.01 55.69 2jvw n LEU 12 Cb 0.51 -0.30 -0.07 0.00 -0.11 0.00 0.00 43.42 43.44 2jvw n LEU 12 CO 0.34 0.15 0.71 -0.74 -1.51 0.00 0.00 177.39 176.34 2jvw h HIS 13 N 0.22 0.25 -0.43 -1.77 2.76 -1.72 -3.40 115.15 111.06 2jvw h HIS 13 Ca 0.00 -0.05 -0.28 0.00 -2.20 0.00 0.00 60.37 57.84 2jvw h HIS 13 Cb 0.30 -0.06 -0.26 0.00 1.55 0.00 0.00 27.41 28.94 2jvw h HIS 13 CO 0.00 0.51 -0.72 0.41 -1.30 0.00 0.00 177.93 176.84 2jvw n GLY 14 N -0.15 1.41 3.62 5.26 0.00 -1.25 -5.10 105.19 108.98 2jvw n GLY 14 Ca -0.06 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.23 4.80 0.56 -0.61 1.01 -1.26 -5.04 121.20 119.44 2jvw s ILE 15 Ca 0.24 1.29 0.04 0.00 0.00 0.00 0.00 60.65 62.22 2jvw s ILE 15 Cb 0.43 -4.14 0.10 0.00 0.01 0.00 0.00 42.46 38.86 2jvw s ILE 15 CO -0.03 -0.21 0.77 0.35 0.00 0.00 0.00 174.94 175.82 2jvw n THR 16 N 5.47 0.00 0.07 2.92 -2.24 -1.26 -4.85 114.28 114.39 2jvw n THR 16 Ca 0.04 -1.50 0.17 0.00 -2.27 0.00 0.00 64.05 60.49 2jvw n THR 16 Cb 0.48 -0.77 0.68 0.00 -2.10 0.00 0.00 70.33 68.61 2jvw n THR 16 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jvw h LEU 17 N 0.00 0.00 0.77 3.22 5.85 -1.97 0.13 115.31 123.31 2jvw h LEU 17 Ca -0.26 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2jvw h LEU 17 Cb 1.06 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jvw h LEU 17 CO 0.32 0.00 -0.37 -0.61 -0.34 0.00 0.00 178.44 177.44 2jvw h GLN 18 N 0.00 -1.00 -0.07 1.25 4.15 -1.99 -0.91 115.11 116.54 2jvw h GLN 18 Ca 0.19 0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 2jvw h GLN 18 Cb 0.75 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2jvw h GLN 18 CO -0.00 -0.67 -0.43 -0.22 -1.93 0.00 0.00 178.83 175.58 2jvw h LYS 19 N -1.09 0.15 0.04 1.69 1.63 -1.88 -1.91 116.57 115.21 2jvw h LYS 19 Ca -0.11 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.64 2jvw h LYS 19 Cb 0.80 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.39 2jvw h LYS 19 CO 0.17 0.56 -0.19 1.25 -3.45 0.00 0.00 179.45 177.80 2jvw h LEU 20 N 0.13 -0.54 -0.84 5.20 6.46 -0.74 -0.30 115.31 124.67 2jvw h LEU 20 Ca 0.01 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2jvw h LEU 20 Cb 0.82 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 2jvw h LEU 20 CO 0.06 -0.26 0.54 0.25 -0.62 0.00 0.00 178.44 178.41 2jvw h LEU 21 N -0.33 0.99 -0.17 2.25 5.85 -1.02 -2.76 115.31 120.11 2jvw h LEU 21 Ca 0.04 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2jvw h LEU 21 Cb 0.38 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2jvw h LEU 21 CO -0.15 0.73 -0.10 0.74 -0.34 0.00 0.00 178.44 179.33 2jvw h THR 22 N 1.15 0.70 -0.69 1.05 2.02 -0.76 0.22 112.91 116.60 2jvw h THR 22 Ca 0.31 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.56 2jvw h THR 22 Cb -0.10 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 2jvw h THR 22 CO -0.06 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 175.86 2jvw h GLU 23 N -0.09 0.63 -0.49 6.66 4.39 -0.93 -0.48 114.58 124.27 2jvw h GLU 23 Ca 0.10 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2jvw h GLU 23 Cb 0.23 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2jvw h GLU 23 CO -0.23 0.42 0.18 -0.07 -1.16 0.00 0.00 179.01 178.14 2jvw h LEU 24 N 0.65 0.69 -0.36 1.33 3.38 -1.12 0.05 115.31 119.94 2jvw h LEU 24 Ca 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2jvw h LEU 24 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jvw h LEU 24 CO -0.22 0.69 0.20 0.58 0.09 0.00 0.00 178.44 179.78 2jvw h VAL 25 N 0.65 1.13 -0.15 1.22 2.07 -0.39 0.74 116.25 121.53 2jvw h VAL 25 Ca 0.16 -0.34 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 2jvw h VAL 25 Cb 0.23 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2jvw h VAL 25 CO -0.01 0.14 -0.70 -0.33 0.02 0.00 0.00 177.57 176.69 2jvw h GLU 26 N 0.46 0.64 0.00 1.57 4.39 -1.02 -1.74 114.58 118.88 2jvw h GLU 26 Ca 0.13 -0.49 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 2jvw h GLU 26 Cb 0.04 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2jvw h GLU 26 CO -0.02 1.11 -0.27 1.25 -1.16 0.00 0.00 179.01 179.91 2jvw h HIS 27 N 0.45 0.27 0.00 4.33 2.76 -0.94 -3.43 115.15 118.59 2jvw h HIS 27 Ca -0.03 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2jvw h HIS 27 Cb 1.30 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2jvw h HIS 27 CO 0.06 0.96 0.00 0.66 -1.30 0.00 0.00 177.93 178.31 2jvw n TYR 28 N -4.49 0.00 0.00 5.26 4.01 0.24 -5.09 117.16 117.10 2jvw n TYR 28 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2jvw n TYR 28 Cb 0.52 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.58 4.01 0.13 2.72 0.00 -0.65 -4.82 105.19 108.16 2jvw n GLY 29 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.21 0.00 1.61 4.06 -1.86 -0.10 115.95 119.45 2jvw h TRP 30 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2jvw h TRP 30 Cb 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 2jvw h TRP 30 CO 0.00 -0.13 0.00 0.93 -3.56 0.00 0.00 178.44 175.68 2jvw h GLU 31 N -0.14 0.00 0.19 0.49 4.39 -1.94 0.13 114.58 117.70 2jvw h GLU 31 Ca 0.04 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.39 2jvw h GLU 31 Cb 0.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jvw h GLU 31 CO -0.09 0.00 -1.71 0.93 -1.16 0.00 0.00 179.01 176.97 2jvw h GLU 32 N 0.00 0.41 -0.27 2.33 4.39 -1.64 -3.12 114.58 116.69 2jvw h GLU 32 Ca 0.00 -0.70 -0.08 0.00 0.34 0.00 0.00 59.36 58.92 2jvw h GLU 32 Cb 0.15 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2jvw h GLU 32 CO 0.00 1.33 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.95 2jvw h LEU 33 N 0.11 0.45 -0.10 1.33 3.38 0.10 -0.25 115.31 120.33 2jvw h LEU 33 Ca -0.33 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jvw h LEU 33 Cb 2.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2jvw h LEU 33 CO 0.19 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.82 2jvw n SER 34 N -4.19 0.42 -0.02 -0.43 3.41 0.34 -0.40 113.62 112.76 2jvw n SER 34 Ca 0.00 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 58.96 2jvw n SER 34 Cb 0.34 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 2jvw n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jvw n TYR 35 N -1.91 1.05 0.02 7.33 9.36 -0.79 -3.65 117.16 128.57 2jvw n TYR 35 Ca 0.05 0.23 -0.18 0.00 3.32 0.00 0.00 57.90 61.32 2jvw n TYR 35 Cb 0.34 -1.14 -0.08 0.00 -0.63 0.00 0.00 39.34 37.83 2jvw n TYR 35 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2jvw h MET 36 N 0.02 0.71 -4.10 2.98 2.86 -1.06 -3.38 114.93 112.95 2jvw h MET 36 Ca -0.45 -0.67 -0.69 0.00 -2.06 0.00 0.00 59.70 55.83 2jvw h MET 36 Cb 1.99 0.17 -0.35 0.00 0.06 0.00 0.00 31.60 33.46 2jvw h MET 36 CO 0.05 1.27 -0.50 0.08 1.06 0.00 0.00 176.91 178.87 2jvw s VAL 37 N -3.50 3.34 -1.20 -2.22 1.01 0.47 -5.04 120.40 113.25 2jvw s VAL 37 Ca -0.09 -2.48 -0.21 0.00 0.00 0.00 0.00 61.98 59.19 2jvw s VAL 37 Cb 0.08 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2jvw s VAL 37 CO 0.91 -0.76 1.89 0.59 0.00 0.00 0.00 175.10 177.72 2jvw n ASN 38 N 4.08 3.58 -3.84 3.32 3.02 -1.24 -4.17 115.26 120.00 2jvw n ASN 38 Ca 0.02 -2.76 -0.09 0.00 -0.03 0.00 0.00 54.58 51.72 2jvw n ASN 38 Cb 0.39 -1.71 -0.07 0.00 -0.61 0.00 0.00 39.78 37.79 2jvw n ASN 38 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2jvw s ILE 39 N 8.72 0.12 0.36 2.41 -4.36 -1.26 -5.04 121.20 122.16 2jvw s ILE 39 Ca 0.63 -1.13 0.39 0.00 -0.26 0.00 0.00 60.65 60.28 2jvw s ILE 39 Cb 0.02 -1.39 0.41 0.00 1.25 0.00 0.00 42.46 42.75 2jvw s ILE 39 CO 0.12 -0.56 2.16 -1.13 0.24 0.00 0.00 174.94 175.77 2jvw h ASN 40 N 2.67 0.00 -0.22 4.36 -1.24 -1.94 -3.22 115.58 115.99 2jvw h ASN 40 Ca -0.34 0.00 0.06 0.00 0.71 0.00 0.00 56.30 56.74 2jvw h ASN 40 Cb 1.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 2jvw h ASN 40 CO 0.54 0.00 0.28 0.00 -1.29 0.00 0.00 177.43 176.96 2jvw n PHE 42 N -3.61 0.00 -0.05 0.00 3.72 -1.22 -4.43 117.46 111.87 2jvw n PHE 42 Ca 0.03 -0.49 -0.08 0.00 -0.05 0.00 0.00 57.45 56.85 2jvw n PHE 42 Cb 0.41 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.85 2jvw n PHE 42 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2jvw n LYS 43 N -0.51 0.25 -4.62 -1.08 4.81 -0.11 -4.26 118.16 112.63 2jvw n LYS 43 Ca 0.01 0.07 -0.23 0.00 -0.87 0.00 0.00 58.31 57.28 2jvw n LYS 43 Cb 0.28 -1.12 -0.14 0.00 0.02 0.00 0.00 35.03 34.07 2jvw n LYS 43 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2jvw s LYS 44 N -2.20 1.24 -0.83 1.64 2.20 -0.40 -4.78 119.74 116.61 2jvw s LYS 44 Ca -0.14 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.67 2jvw s LYS 44 Cb 0.04 -1.27 -0.05 0.00 -1.51 0.00 0.00 37.83 35.05 2jvw s LYS 44 CO 0.23 0.33 0.73 -0.25 -0.36 0.00 0.00 175.35 176.02 2jvw n ASP 45 N 2.17 -5.09 -1.71 1.43 9.92 -1.26 -4.57 116.55 117.43 2jvw n ASP 45 Ca -0.16 -0.54 -0.03 0.00 -0.53 0.00 0.00 54.79 53.53 2jvw n ASP 45 Cb 0.54 -4.16 -0.04 0.00 -0.64 0.00 0.00 41.12 36.82 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 -2.93 1.08 -4.25 -0.24 -0.04 -1.26 -4.34 135.00 123.01 2jvw n PRO 46 Ca -0.08 -0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 62.79 2jvw n PRO 46 Cb 0.60 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 2.04 5.50 0.25 3.54 0.01 -1.26 -5.00 113.70 118.78 2jvw s SER 47 Ca 0.16 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.58 2jvw s SER 47 Cb 0.07 -1.60 0.48 0.00 0.21 0.00 0.00 66.02 65.18 2jvw s SER 47 CO 0.00 0.37 1.69 0.40 0.41 0.00 0.00 173.24 176.12 2jvw h ILE 48 N 4.03 0.54 -0.59 1.44 1.08 -1.99 0.14 117.51 122.17 2jvw h ILE 48 Ca -0.52 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 63.91 2jvw h ILE 48 Cb 1.20 0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 2jvw h ILE 48 CO 0.56 0.06 0.29 0.50 -0.69 0.00 0.00 178.15 178.86 2jvw h LYS 49 N 0.31 0.52 -0.19 2.37 1.63 -1.95 -0.89 116.57 118.37 2jvw h LYS 49 Ca 0.42 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.12 2jvw h LYS 49 Cb 0.71 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2jvw h LYS 49 CO -0.49 0.35 -0.16 0.77 -3.45 0.00 0.00 179.45 176.46 2jvw h SER 50 N 0.54 0.48 0.33 4.20 0.02 -1.10 -1.88 113.55 116.13 2jvw h SER 50 Ca 0.27 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2jvw h SER 50 Cb 0.22 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jvw h SER 50 CO -0.21 0.84 -0.16 0.28 -1.14 0.00 0.00 176.83 176.45 2jvw h SER 51 N 0.13 -0.37 -0.75 3.07 0.02 -0.84 -2.83 113.55 111.97 2jvw h SER 51 Ca 0.03 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2jvw h SER 51 Cb 0.69 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 2jvw h SER 51 CO 0.04 -0.15 0.49 -0.07 -1.14 0.00 0.00 176.83 176.01 2jvw h LEU 52 N -0.58 0.65 -0.74 5.07 3.38 -1.24 -0.96 115.31 120.89 2jvw h LEU 52 Ca -0.04 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2jvw h LEU 52 Cb 0.42 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2jvw h LEU 52 CO 0.07 0.40 0.41 0.50 0.09 0.00 0.00 178.44 179.91 2jvw h LYS 53 N 0.73 0.68 -0.00 1.13 3.64 -1.13 -0.01 116.57 121.61 2jvw h LYS 53 Ca 0.34 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 2jvw h LYS 53 Cb 0.36 -0.15 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2jvw h LYS 53 CO -0.12 0.45 -0.87 0.35 -2.27 0.00 0.00 179.45 176.99 2jvw h PHE 54 N 0.70 0.89 -0.95 1.91 3.57 -1.11 -3.19 116.94 118.76 2jvw h PHE 54 Ca 0.35 -0.48 0.01 0.00 3.53 0.00 0.00 57.97 61.38 2jvw h PHE 54 Cb 0.31 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2jvw h PHE 54 CO -0.08 1.31 0.63 -0.07 -2.23 0.00 0.00 178.31 177.87 2jvw h LEU 55 N 0.21 1.10 -0.28 0.59 3.38 -0.79 0.15 115.31 119.67 2jvw h LEU 55 Ca -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2jvw h LEU 55 Cb 1.55 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2jvw h LEU 55 CO 0.17 0.79 0.00 -2.11 0.09 0.00 0.00 178.44 177.39 2jvw n ARG 56 N -4.39 1.19 -0.00 1.13 1.85 -0.06 -3.31 116.66 113.07 2jvw n ARG 56 Ca 0.11 -0.28 0.03 0.00 -1.00 0.00 0.00 57.85 56.71 2jvw n ARG 56 Cb 0.02 -1.37 -0.05 0.00 -1.05 0.00 0.00 32.46 30.00 2jvw n ARG 56 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2jvw n LYS 57 N -0.55 0.47 -4.83 2.89 4.81 -0.32 -5.03 118.16 115.60 2jvw n LYS 57 Ca 0.17 -0.06 -0.30 0.00 -0.87 0.00 0.00 58.31 57.25 2jvw n LYS 57 Cb 0.15 -1.13 -0.14 0.00 0.02 0.00 0.00 35.03 33.93 2jvw n LYS 57 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2jvw s THR 58 N -2.39 2.39 0.00 3.15 2.01 0.39 -5.08 115.64 116.10 2jvw s THR 58 Ca -0.02 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.68 2jvw s THR 58 Cb 0.04 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.59 2jvw s THR 58 CO 0.27 0.37 0.00 0.47 -0.69 0.00 0.00 174.62 175.03 2jvw n ASP 59 N 1.73 0.00 -0.30 3.53 9.92 -1.26 -3.98 116.55 126.19 2jvw n ASP 59 Ca -0.17 0.19 0.12 0.00 -0.53 0.00 0.00 54.79 54.41 2jvw n ASP 59 Cb 0.52 -0.20 0.29 0.00 -0.64 0.00 0.00 41.12 41.09 2jvw n ASP 59 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2jvw h TRP 60 N 0.00 0.61 -0.99 1.24 5.08 -1.99 0.20 115.95 120.11 2jvw h TRP 60 Ca 0.00 0.04 0.11 0.00 1.08 0.00 0.00 58.89 60.12 2jvw h TRP 60 Cb 0.00 -0.13 -0.08 0.00 -3.00 0.00 0.00 29.16 25.95 2jvw h TRP 60 CO 0.00 -0.04 0.62 0.00 -1.28 0.00 0.00 178.44 177.74 2jvw h ALA 61 N 1.69 1.45 0.45 0.11 0.00 -1.94 -0.33 119.26 120.69 2jvw h ALA 61 Ca 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 2jvw h ALA 61 Cb 0.99 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jvw h ALA 61 CO -0.52 0.26 -0.22 -0.09 0.00 0.00 0.00 179.25 178.69 2jvw h ARG 62 N 1.02 -0.58 -0.61 0.00 2.43 -0.73 -1.61 114.38 114.30 2jvw h ARG 62 Ca 0.47 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.69 2jvw h ARG 62 Cb 0.40 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 2jvw h ARG 62 CO -0.24 -0.34 0.40 0.93 -1.51 0.00 0.00 179.97 179.21 2jvw h GLU 63 N -0.70 0.80 -0.37 0.20 3.07 -1.37 -2.48 114.58 113.74 2jvw h GLU 63 Ca -0.06 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2jvw h GLU 63 Cb 0.51 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2jvw h GLU 63 CO 0.10 0.53 0.22 0.00 -1.40 0.00 0.00 179.01 178.46 2jvw h ARG 64 N 0.83 0.50 0.62 2.33 2.47 -0.83 0.84 114.38 121.14 2jvw h ARG 64 Ca 0.22 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 2jvw h ARG 64 Cb -0.09 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.12 2jvw h ARG 64 CO -0.05 0.39 -0.36 0.28 0.56 0.00 0.00 179.97 180.79 2jvw h VAL 65 N 0.47 0.27 -0.15 2.04 2.07 -0.86 -1.50 116.25 118.59 2jvw h VAL 65 Ca 0.13 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 2jvw h VAL 65 Cb 0.02 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2jvw h VAL 65 CO -0.02 0.00 -0.08 1.05 0.02 0.00 0.00 177.57 178.54 2jvw h GLU 66 N -0.92 0.22 -0.76 1.57 4.11 -1.48 -2.02 114.58 115.30 2jvw h GLU 66 Ca -0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2jvw h GLU 66 Cb 0.73 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2jvw h GLU 66 CO 0.10 0.32 0.49 -0.97 0.07 0.00 0.00 179.01 179.01 2jvw h ASN 67 N 0.22 0.88 -0.56 3.06 -1.24 -0.59 -0.61 115.58 116.74 2jvw h ASN 67 Ca 0.05 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 2jvw h ASN 67 Cb 0.28 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2jvw h ASN 67 CO 0.01 0.65 0.26 0.40 -1.29 0.00 0.00 177.43 177.47 2jvw h ILE 68 N 1.03 1.20 -0.58 2.57 2.04 -0.56 -0.57 117.51 122.64 2jvw h ILE 68 Ca 0.28 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2jvw h ILE 68 Cb -0.10 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2jvw h ILE 68 CO -0.06 0.25 0.08 0.22 0.00 0.00 0.00 178.15 178.63 2jvw h TYR 69 N 0.84 1.05 -0.83 1.37 3.20 -0.95 -0.67 116.97 120.98 2jvw h TYR 69 Ca 0.20 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jvw h TYR 69 Cb 0.13 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2jvw h TYR 69 CO 0.01 0.92 0.53 -0.07 -1.64 0.00 0.00 178.16 177.90 2jvw h LEU 70 N 0.88 0.98 -1.41 2.82 3.38 -0.71 0.15 115.31 121.40 2jvw h LEU 70 Ca 0.17 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2jvw h LEU 70 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jvw h LEU 70 CO 0.02 0.73 0.42 0.50 0.09 0.00 0.00 178.44 180.20 2jvw h LYS 71 N 1.14 0.76 -0.01 1.13 3.11 -0.71 -1.96 116.57 120.02 2jvw h LYS 71 Ca 0.30 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.92 2jvw h LYS 71 Cb -0.09 -0.17 0.01 0.00 -1.00 0.00 0.00 32.23 30.98 2jvw h LYS 71 CO -0.06 0.50 -0.67 1.25 -2.81 0.00 0.00 179.45 177.66 2jvw h LEU 72 N 0.78 0.61 -0.94 5.20 5.85 -0.33 -3.32 115.31 123.17 2jvw h LEU 72 Ca 0.25 -0.74 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2jvw h LEU 72 Cb 0.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2jvw h LEU 72 CO -0.07 1.27 0.41 1.56 -0.34 0.00 0.00 178.44 181.28 2jvw h GLN 73 N 0.02 1.17 0.00 1.25 1.08 -0.37 0.51 115.11 118.77 2jvw h GLN 73 Ca -0.08 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2jvw h GLN 73 Cb 1.36 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2jvw h GLN 73 CO 0.13 0.89 -0.04 0.07 -0.95 0.00 0.00 178.83 178.93 2jvw h ARG 74 N 1.17 0.00 -0.12 1.46 0.11 -1.50 -2.14 114.38 113.36 2jvw h ARG 74 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 2jvw h ARG 74 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2jvw h ARG 74 CO -0.04 0.04 0.00 1.58 0.10 0.00 0.00 179.97 181.65 2jvw n HIS 75 N -3.51 0.15 -2.25 4.08 -0.00 -0.38 -4.94 115.22 108.36 2jvw n HIS 75 Ca -0.02 -0.18 -0.36 0.00 0.46 0.00 0.00 57.72 57.62 2jvw n HIS 75 Cb 0.14 -0.01 -0.04 0.00 -0.12 0.00 0.00 29.99 29.96 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 -0.89 2.91 -0.20 1.57 2.47 0.16 -4.78 119.74 120.98 2jvw s LYS 76 Ca 0.15 -0.17 -0.22 0.00 -1.56 0.00 0.00 55.97 54.17 2jvw s LYS 76 Cb 0.09 -4.73 -0.20 0.00 -1.46 0.00 0.00 37.83 31.53 2jvw s LYS 76 CO 0.13 -2.70 0.28 0.93 0.16 0.00 0.00 175.35 174.15 2jvw h GLU 77 N 11.87 0.01 -7.33 4.03 5.08 -1.88 -3.49 114.58 122.88 2jvw h GLU 77 Ca -0.07 -0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 57.79 2jvw h GLU 77 Cb 1.06 0.01 0.07 0.00 0.50 0.00 0.00 28.75 30.39 2jvw h GLU 77 CO 1.27 1.01 0.31 1.03 -1.00 0.00 0.00 179.01 181.63 2jvw s ARG 78 N -2.35 2.83 1.21 2.33 1.81 -1.26 -5.04 118.95 118.47 2jvw s ARG 78 Ca -0.27 0.23 -0.13 0.00 -1.72 0.00 0.00 55.73 53.83 2jvw s ARG 78 Cb 0.05 -2.13 0.31 0.00 -0.45 0.00 0.00 34.95 32.73 2jvw s ARG 78 CO 0.61 -0.92 1.01 -0.80 -0.68 0.00 0.00 175.30 174.51 2jvw s ASN 79 N -4.35 0.56 0.13 0.23 0.01 -1.26 -5.08 114.94 105.17 2jvw s ASN 79 Ca 0.57 1.47 -0.22 0.00 -0.71 0.00 0.00 52.86 53.97 2jvw s ASN 79 Cb -0.11 -2.28 0.06 0.00 0.41 0.00 0.00 41.25 39.33 2jvw s ASN 79 CO 0.49 -4.45 0.56 0.00 -1.51 0.00 0.00 177.10 172.18 2jvw s GLN 80 N -4.43 1.19 -0.17 -0.60 -2.07 -1.26 -5.15 119.66 107.18 2jvw s GLN 80 Ca 0.69 -0.44 -0.20 0.00 -1.82 0.00 0.00 55.36 53.58 2jvw s GLN 80 Cb -0.25 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 2jvw s GLN 80 CO 0.65 -0.49 0.59 -0.51 -1.32 0.00 0.00 175.29 174.21 2jvw s LEU 81 N -2.57 4.19 0.00 2.60 1.02 -1.26 -4.86 118.68 117.80 2jvw s LEU 81 Ca -0.00 0.85 0.02 0.00 0.02 0.00 0.00 54.13 55.01 2jvw s LEU 81 Cb -0.00 -2.85 0.11 0.00 0.02 0.00 0.00 46.19 43.47 2jvw s LEU 81 CO -0.10 -0.18 0.60 -1.84 0.02 0.00 0.00 176.35 174.85