#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvj n ASP 2 N 0.00 -5.53 0.20 6.12 8.00 -1.26 -4.84 116.55 119.24 1kvj n ASP 2 Ca 0.00 -0.92 0.14 0.00 0.71 0.00 0.00 54.79 54.72 1kvj n ASP 2 Cb 0.00 -3.35 0.56 0.00 -0.02 0.00 0.00 41.12 38.31 1kvj n ASP 2 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1kvj h PRO 3 N -1.49 0.00 0.00 -0.24 0.13 -2.05 -2.83 132.00 125.52 1kvj h PRO 3 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1kvj h PRO 3 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1kvj h PRO 3 CO 0.45 0.00 -1.46 -1.13 -0.23 0.00 0.00 178.00 175.63 1kvj n SER 4 N -2.63 1.65 -3.76 1.44 3.41 -1.26 -5.01 113.62 107.46 1kvj n SER 4 Ca 0.02 -0.14 -0.26 0.00 -0.26 0.00 0.00 58.87 58.24 1kvj n SER 4 Cb 0.28 1.52 0.04 0.00 -0.26 0.00 0.00 64.21 65.80 1kvj n SER 4 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1kvj n MET 5 N -1.87 -5.93 0.00 4.33 2.81 -1.07 -1.50 117.12 113.89 1kvj n MET 5 Ca -0.02 0.67 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 1kvj n MET 5 Cb 0.33 -5.51 0.00 0.00 -0.71 0.00 0.00 33.22 27.33 1kvj n MET 5 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kvj n GLY 6 N -1.68 2.08 3.87 3.03 0.00 -1.26 -5.07 105.19 106.16 1kvj n GLY 6 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1kvj n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvj s VAL 7 N -2.50 4.07 0.55 1.61 1.01 -0.56 -4.43 120.40 120.15 1kvj s VAL 7 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1kvj s VAL 7 Cb 0.00 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1kvj s VAL 7 CO 0.00 -0.88 0.53 0.21 0.00 0.00 0.00 175.10 174.96 1kvj s ASN 8 N -4.23 4.79 -0.04 3.32 3.84 0.62 -4.76 114.94 118.47 1kvj s ASN 8 Ca 0.57 -1.12 -0.02 0.00 0.21 0.00 0.00 52.86 52.50 1kvj s ASN 8 Cb -0.11 0.38 0.03 0.00 -0.55 0.00 0.00 41.25 41.00 1kvj s ASN 8 CO 0.53 -1.19 0.09 -0.55 -2.79 0.00 0.00 177.10 173.20 1kvj s SER 9 N -4.41 -0.04 0.00 -4.21 0.15 -1.26 -0.27 113.70 103.66 1kvj s SER 9 Ca 0.43 0.18 -0.04 0.00 0.70 0.00 0.00 55.95 57.22 1kvj s SER 9 Cb -0.03 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1kvj s SER 9 CO 0.27 -0.12 0.08 -0.69 1.20 0.00 0.00 173.24 173.98 1kvj s VAL 10 N 0.93 0.07 0.16 4.45 1.01 0.25 -4.95 120.40 122.32 1kvj s VAL 10 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1kvj s VAL 10 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1kvj s VAL 10 CO -0.04 -0.34 0.02 -0.89 0.00 0.00 0.00 175.10 173.85 1kvj s THR 11 N -1.12 3.87 -0.19 3.92 2.01 -1.26 0.49 115.64 123.37 1kvj s THR 11 Ca -0.12 -1.31 -0.03 0.00 0.31 0.00 0.00 61.69 60.54 1kvj s THR 11 Cb -0.07 -2.94 0.06 0.00 0.01 0.00 0.00 72.50 69.56 1kvj s THR 11 CO 0.00 -0.08 0.03 -0.63 -0.69 0.00 0.00 174.62 173.25 1kvj s ILE 12 N -1.67 0.57 -0.21 1.82 1.01 0.64 -3.13 121.20 120.22 1kvj s ILE 12 Ca 0.28 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 1kvj s ILE 12 Cb -0.10 -1.03 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 1kvj s ILE 12 CO 0.19 -0.16 0.90 -0.94 0.00 0.00 0.00 174.94 174.93 1kvj s SER 13 N 1.84 6.97 -0.11 3.58 1.04 -1.16 0.19 113.70 126.05 1kvj s SER 13 Ca -0.01 1.20 0.02 0.00 0.48 0.00 0.00 55.95 57.65 1kvj s SER 13 Cb -0.17 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1kvj s SER 13 CO -0.08 -0.53 -0.18 0.68 0.98 0.00 0.00 173.24 174.11 1kvj s VAL 14 N 2.71 1.73 0.47 5.02 -7.23 -1.19 -1.67 120.40 120.24 1kvj s VAL 14 Ca 0.39 -0.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.84 1kvj s VAL 14 Cb -0.16 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.24 1kvj s VAL 14 CO 0.09 0.49 0.40 -1.61 -0.31 0.00 0.00 175.10 174.15 1kvj s GLU 15 N 0.83 2.38 0.00 4.82 0.41 -0.35 -3.41 118.70 123.38 1kvj s GLU 15 Ca -0.09 -1.76 0.00 0.00 -0.41 0.00 0.00 54.97 52.71 1kvj s GLU 15 Cb -0.16 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 1kvj s GLU 15 CO -0.00 -0.39 0.00 0.41 -0.49 0.00 0.00 175.26 174.79 1kvj n GLY 16 N -1.65 2.72 1.42 -1.39 0.00 -1.26 -3.82 105.19 101.22 1kvj n GLY 16 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1kvj n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kvj n MET 17 N -0.04 0.00 0.14 1.61 2.81 -1.26 -4.76 117.12 115.61 1kvj n MET 17 Ca 0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1kvj n MET 17 Cb 0.00 -0.56 0.16 0.00 -0.71 0.00 0.00 33.22 32.11 1kvj n MET 17 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1kvj h THR 18 N 3.15 1.33 0.00 2.03 1.35 -1.92 -3.46 112.91 115.40 1kvj h THR 18 Ca -0.01 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1kvj h THR 18 Cb 0.51 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1kvj h THR 18 CO 0.59 0.60 0.00 0.00 -0.25 0.00 0.00 175.52 176.46 1kvj n ASN 20 N 0.00 0.21 0.16 0.00 4.13 -1.26 0.18 115.26 118.68 1kvj n ASN 20 Ca 0.00 1.32 0.19 0.00 1.68 0.00 0.00 54.58 57.77 1kvj n ASN 20 Cb 0.00 -0.65 0.74 0.00 -1.54 0.00 0.00 39.78 38.34 1kvj n ASN 20 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1kvj h SER 21 N 0.00 0.00 0.78 6.41 4.64 -1.98 0.71 113.55 124.11 1kvj h SER 21 Ca 0.81 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.94 1kvj h SER 21 Cb 2.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.60 1kvj h SER 21 CO -0.47 0.00 -1.32 0.00 -0.87 0.00 0.00 176.83 174.16 1kvj h VAL 23 N 0.00 1.32 -0.19 0.00 3.04 -0.17 -0.27 116.25 119.98 1kvj h VAL 23 Ca -0.16 -2.70 -0.03 0.00 -1.01 0.00 0.00 66.70 62.81 1kvj h VAL 23 Cb 1.65 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 33.86 1kvj h VAL 23 CO 0.06 0.81 -0.01 -0.50 -1.01 0.00 0.00 177.57 176.92 1kvj h TRP 24 N 0.17 0.28 0.06 3.17 6.55 0.08 1.05 115.95 127.30 1kvj h TRP 24 Ca -0.22 -0.02 -0.24 0.00 0.95 0.00 0.00 58.89 59.36 1kvj h TRP 24 Cb 2.07 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 30.28 1kvj h TRP 24 CO 0.11 0.30 -1.12 1.15 -1.05 0.00 0.00 178.44 177.84 1kvj h THR 25 N 0.27 1.61 0.00 1.49 2.02 -1.28 -2.50 112.91 114.53 1kvj h THR 25 Ca 0.06 -3.25 -0.09 0.00 0.77 0.00 0.00 66.41 63.91 1kvj h THR 25 Cb 0.21 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 1kvj h THR 25 CO 0.01 0.94 -2.07 -0.38 0.37 0.00 0.00 175.52 174.38 1kvj n ILE 26 N -3.44 0.36 0.03 3.11 2.08 -0.13 -2.55 119.36 118.82 1kvj n ILE 26 Ca -0.04 -0.59 -0.12 0.00 0.56 0.00 0.00 62.75 62.56 1kvj n ILE 26 Cb 0.98 -0.12 -0.14 0.00 -0.75 0.00 0.00 39.64 39.61 1kvj n ILE 26 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1kvj h GLU 27 N 0.00 0.10 0.13 0.38 4.81 0.99 -2.82 114.58 118.17 1kvj h GLU 27 Ca -0.13 -0.18 -0.28 0.00 -0.13 0.00 0.00 59.36 58.64 1kvj h GLU 27 Cb 1.31 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1kvj h GLU 27 CO 0.01 0.87 -1.26 0.37 -0.73 0.00 0.00 179.01 178.27 1kvj h GLN 28 N 0.03 0.27 0.43 1.92 4.15 -1.51 -2.27 115.11 118.13 1kvj h GLN 28 Ca -0.22 -0.46 -0.02 0.00 0.77 0.00 0.00 58.65 58.72 1kvj h GLN 28 Cb 1.96 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.83 1kvj h GLN 28 CO 0.12 1.21 -0.21 0.37 -1.93 0.00 0.00 178.83 178.40 1kvj h GLN 29 N 0.07 -0.56 -0.88 1.69 5.75 -1.59 -2.62 115.11 116.97 1kvj h GLN 29 Ca -0.14 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1kvj h GLN 29 Cb 1.98 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 30.60 1kvj h GLN 29 CO 0.20 -0.37 0.57 0.82 -2.65 0.00 0.00 178.83 177.40 1kvj h ILE 30 N -0.86 1.16 -0.91 2.39 1.08 -1.66 0.62 117.51 119.32 1kvj h ILE 30 Ca -0.06 -0.38 0.10 0.00 -0.39 0.00 0.00 64.86 64.13 1kvj h ILE 30 Cb 0.45 -0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 34.07 1kvj h ILE 30 CO 0.10 0.20 0.58 1.23 -0.69 0.00 0.00 178.15 179.58 1kvj h GLY 31 N 1.12 1.32 -1.05 5.37 0.00 -1.46 -3.02 103.07 105.35 1kvj h GLY 31 Ca 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1kvj h GLY 31 CO -0.11 0.19 -0.45 0.28 0.00 0.00 0.00 176.54 176.45 1kvj n LYS 32 N -4.54 1.13 -0.07 4.80 4.01 -0.89 -4.46 118.16 118.13 1kvj n LYS 32 Ca 0.16 -2.73 -0.15 0.00 -0.51 0.00 0.00 58.31 55.08 1kvj n LYS 32 Cb 0.32 -1.25 -0.05 0.00 -0.51 0.00 0.00 35.03 33.55 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1kvj h VAL 33 N 2.15 1.29 0.00 -0.18 3.04 0.36 -3.47 116.25 119.44 1kvj h VAL 33 Ca -0.04 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 1kvj h VAL 33 Cb 1.17 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 1kvj h VAL 33 CO 0.02 0.54 0.00 -3.20 -1.01 0.00 0.00 177.57 173.91 1kvj n ASN 34 N -4.11 -1.29 -3.20 3.17 5.15 -1.26 -5.06 115.26 108.66 1kvj n ASN 34 Ca -0.05 0.29 -0.21 0.00 -0.60 0.00 0.00 54.58 54.02 1kvj n ASN 34 Cb 0.59 1.51 -0.07 0.00 -0.53 0.00 0.00 39.78 41.28 1kvj n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kvj n GLY 35 N -1.48 1.54 2.80 8.20 0.00 -1.26 -5.05 105.19 109.93 1kvj n GLY 35 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1kvj n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvj s VAL 36 N 0.11 1.84 0.52 1.61 1.01 -1.26 -1.55 120.40 122.68 1kvj s VAL 36 Ca 0.33 -2.86 0.19 0.00 0.00 0.00 0.00 61.98 59.64 1kvj s VAL 36 Cb 0.06 -2.28 0.27 0.00 0.00 0.00 0.00 36.38 34.43 1kvj s VAL 36 CO -0.16 -0.87 2.14 0.45 0.00 0.00 0.00 175.10 176.66 1kvj h HIS 37 N 6.62 0.00 -3.29 5.22 3.86 -1.88 -3.41 115.15 122.26 1kvj h HIS 37 Ca -0.03 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.89 1kvj h HIS 37 Cb 0.91 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.03 1kvj h HIS 37 CO 0.50 0.04 -0.67 -1.01 0.86 0.00 0.00 177.93 177.65 1kvj s HIS 38 N -4.86 -0.07 -0.00 2.45 3.76 -1.26 -5.02 115.29 110.29 1kvj s HIS 38 Ca -0.05 0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.27 1kvj s HIS 38 Cb 0.16 -0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.60 1kvj s HIS 38 CO 0.65 -0.18 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.78 1kvj s ILE 39 N 1.62 0.62 -0.12 0.60 -1.16 -1.26 0.53 121.20 122.03 1kvj s ILE 39 Ca -0.03 -0.35 -0.04 0.00 -0.51 0.00 0.00 60.65 59.71 1kvj s ILE 39 Cb -0.12 -0.53 0.06 0.00 0.61 0.00 0.00 42.46 42.48 1kvj s ILE 39 CO -0.05 0.17 0.24 -0.75 -2.81 0.00 0.00 174.94 171.74 1kvj s LYS 40 N -0.21 0.13 0.29 3.50 2.36 0.46 -4.95 119.74 121.31 1kvj s LYS 40 Ca 0.03 0.68 0.09 0.00 -2.55 0.00 0.00 55.97 54.22 1kvj s LYS 40 Cb -0.03 -0.10 -0.04 0.00 -1.05 0.00 0.00 37.83 36.61 1kvj s LYS 40 CO -0.00 -0.27 0.04 0.08 1.55 0.00 0.00 175.35 176.74 1kvj s VAL 41 N 2.24 3.32 -0.42 4.02 1.01 -1.26 0.20 120.40 129.51 1kvj s VAL 41 Ca 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 61.98 60.19 1kvj s VAL 41 Cb -0.12 -2.90 0.19 0.00 0.00 0.00 0.00 36.38 33.56 1kvj s VAL 41 CO -0.08 -0.31 0.44 -1.20 0.00 0.00 0.00 175.10 173.95 1kvj n SER 42 N -0.97 -0.72 -0.01 3.32 7.64 0.33 -4.90 113.62 118.30 1kvj n SER 42 Ca -0.05 -2.53 0.20 0.00 1.01 0.00 0.00 58.87 57.49 1kvj n SER 42 Cb 0.60 -0.26 0.68 0.00 -1.01 0.00 0.00 64.21 64.21 1kvj n SER 42 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1kvj h LEU 43 N 5.12 0.03 -0.00 -3.43 8.10 -1.94 0.57 115.31 123.77 1kvj h LEU 43 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.18 1kvj h LEU 43 Cb 0.93 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 1kvj h LEU 43 CO 0.36 0.02 -0.00 -0.33 -4.11 0.00 0.00 178.44 174.37 1kvj h GLU 44 N 0.03 0.00 0.00 0.17 3.07 -1.93 -2.91 114.58 113.01 1kvj h GLU 44 Ca 0.26 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1kvj h GLU 44 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1kvj h GLU 44 CO -0.01 0.73 0.00 0.39 -1.40 0.00 0.00 179.01 178.71 1kvj n GLU 45 N -4.74 0.98 -3.69 2.33 4.71 -0.86 -4.91 120.64 114.45 1kvj n GLU 45 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.79 1kvj n GLU 45 Cb 0.36 -1.20 0.02 0.00 -1.01 0.00 0.00 31.44 29.60 1kvj n GLU 45 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1kvj n LYS 46 N -0.70 -1.16 -3.82 3.49 4.76 0.19 -4.96 118.16 115.96 1kvj n LYS 46 Ca 0.09 0.65 -0.04 0.00 -2.87 0.00 0.00 58.31 56.14 1kvj n LYS 46 Cb 0.04 -3.46 0.00 0.00 -1.84 0.00 0.00 35.03 29.78 1kvj n LYS 46 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1kvj s ASN 47 N -3.24 -0.09 -0.15 4.39 3.84 -0.61 -3.14 114.94 115.93 1kvj s ASN 47 Ca 0.25 -0.63 -0.30 0.00 0.21 0.00 0.00 52.86 52.38 1kvj s ASN 47 Cb -0.10 0.57 0.12 0.00 -0.55 0.00 0.00 41.25 41.29 1kvj s ASN 47 CO 0.88 -1.10 0.98 0.00 -2.79 0.00 0.00 177.10 175.07 1kvj s ALA 48 N -2.81 -1.92 0.02 1.71 0.00 0.13 0.12 121.76 119.00 1kvj s ALA 48 Ca 0.16 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1kvj s ALA 48 Cb -0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1kvj s ALA 48 CO 0.05 -0.31 -0.05 -0.08 0.00 0.00 0.00 175.76 175.37 1kvj s THR 49 N -1.11 0.29 -0.09 0.00 -1.32 0.54 0.23 115.64 114.18 1kvj s THR 49 Ca -0.02 -0.75 -0.30 0.00 -1.21 0.00 0.00 61.69 59.40 1kvj s THR 49 Cb -0.00 -0.36 0.10 0.00 -1.51 0.00 0.00 72.50 70.72 1kvj s THR 49 CO 0.02 -0.31 0.85 -0.51 -2.21 0.00 0.00 174.62 172.47 1kvj s ILE 50 N -1.05 0.00 0.31 5.08 -1.16 0.18 0.17 121.20 124.74 1kvj s ILE 50 Ca -0.09 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.13 1kvj s ILE 50 Cb -0.08 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.96 1kvj s ILE 50 CO -0.00 0.00 0.21 0.27 -2.81 0.00 0.00 174.94 172.61 1kvj s ILE 51 N -1.51 3.58 0.09 2.00 -5.25 0.19 0.85 121.20 121.14 1kvj s ILE 51 Ca -0.04 -1.50 -0.26 0.00 -0.99 0.00 0.00 60.65 57.86 1kvj s ILE 51 Cb -0.00 -3.15 0.08 0.00 2.95 0.00 0.00 42.46 42.34 1kvj s ILE 51 CO 0.03 -0.23 0.70 -0.72 -1.79 0.00 0.00 174.94 172.93 1kvj s TYR 52 N -2.30 -0.49 -0.39 1.37 1.13 0.63 -3.74 117.35 113.56 1kvj s TYR 52 Ca 0.38 0.37 -0.29 0.00 -1.41 0.00 0.00 57.07 56.12 1kvj s TYR 52 Cb -0.05 0.54 0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1kvj s TYR 52 CO 0.25 -0.73 1.37 0.34 -2.51 0.00 0.00 175.55 174.27 1kvj s ASP 53 N -2.49 6.42 0.24 -0.18 2.15 -0.59 0.23 116.67 122.44 1kvj s ASP 53 Ca 0.01 0.89 -0.03 0.00 0.43 0.00 0.00 52.55 53.85 1kvj s ASP 53 Cb -0.01 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.33 1kvj s ASP 53 CO -0.10 -1.35 1.69 1.55 -0.17 0.00 0.00 175.17 176.80 1kvj h PRO 54 N 10.33 0.77 0.00 4.34 0.13 -1.77 0.44 132.00 146.23 1kvj h PRO 54 Ca -0.27 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1kvj h PRO 54 Cb 1.10 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1kvj h PRO 54 CO 1.08 0.86 0.00 1.57 -0.23 0.00 0.00 178.00 181.28 1kvj h LYS 55 N 0.69 0.00 0.01 0.86 2.10 -1.90 -3.19 116.57 115.15 1kvj h LYS 55 Ca 0.12 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.38 1kvj h LYS 55 Cb 0.60 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.87 1kvj h LYS 55 CO 0.04 0.00 -2.15 -0.11 -2.00 0.00 0.00 179.45 175.23 1kvj n LEU 56 N -2.93 2.09 0.00 7.07 0.00 -0.68 -5.08 117.00 117.48 1kvj n LEU 56 Ca 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 56.01 56.31 1kvj n LEU 56 Cb 0.25 -0.89 -0.00 0.00 0.00 0.00 0.00 43.42 42.77 1kvj n LEU 56 CO 0.24 0.55 0.01 0.00 0.00 0.00 0.00 177.39 178.20 1kvj n GLN 57 N -4.14 0.03 -3.56 1.96 1.13 0.14 -5.07 117.38 107.87 1kvj n GLN 57 Ca -0.46 -0.08 -0.16 0.00 -1.94 0.00 0.00 57.00 54.36 1kvj n GLN 57 Cb 0.85 0.08 -0.05 0.00 0.11 0.00 0.00 30.24 31.24 1kvj n GLN 57 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1kvj n THR 58 N -0.02 0.00 0.86 5.09 -2.24 -1.26 -3.69 114.28 113.01 1kvj n THR 58 Ca -0.00 -1.58 0.07 0.00 -2.27 0.00 0.00 64.05 60.27 1kvj n THR 58 Cb 0.02 0.61 0.41 0.00 -2.10 0.00 0.00 70.33 69.27 1kvj n THR 58 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1kvj n PRO 59 N -0.57 0.42 0.08 -0.78 -0.04 -1.26 -1.97 135.00 130.87 1kvj n PRO 59 Ca -0.02 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1kvj n PRO 59 Cb 0.40 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1kvj n PRO 59 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1kvj h LYS 60 N 0.00 0.10 0.00 0.54 3.11 -1.94 -1.81 116.57 116.58 1kvj h LYS 60 Ca 0.00 -0.14 -0.06 0.00 -2.81 0.00 0.00 60.65 57.64 1kvj h LYS 60 Cb 0.01 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1kvj h LYS 60 CO 0.00 0.97 -0.29 1.15 -2.81 0.00 0.00 179.45 178.48 1kvj h THR 61 N 0.05 0.53 0.00 1.00 2.02 -1.80 0.69 112.91 115.39 1kvj h THR 61 Ca -0.04 -1.59 -0.12 0.00 0.77 0.00 0.00 66.41 65.43 1kvj h THR 61 Cb 1.63 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 70.16 1kvj h THR 61 CO 0.14 0.28 -0.56 -0.07 0.37 0.00 0.00 175.52 175.67 1kvj h LEU 62 N 0.00 0.00 0.00 2.58 4.07 -1.53 0.22 115.31 120.65 1kvj h LEU 62 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1kvj h LEU 62 Cb 1.11 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 1kvj h LEU 62 CO 0.04 0.56 -1.13 1.56 -1.08 0.00 0.00 178.44 178.39 1kvj h GLN 63 N 0.00 0.00 0.00 1.13 1.08 -0.61 -2.15 115.11 114.56 1kvj h GLN 63 Ca -0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1kvj h GLN 63 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1kvj h GLN 63 CO 0.07 0.41 -0.35 0.93 -0.95 0.00 0.00 178.83 178.94 1kvj h GLU 64 N 0.00 0.00 0.00 1.46 5.08 0.79 1.29 114.58 123.20 1kvj h GLU 64 Ca -0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1kvj h GLU 64 Cb 1.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1kvj h GLU 64 CO 0.06 0.35 -1.29 0.00 -1.00 0.00 0.00 179.01 177.13 1kvj h ALA 65 N 1.65 0.63 0.11 3.43 0.00 -0.96 -2.17 119.26 121.95 1kvj h ALA 65 Ca -0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.91 1kvj h ALA 65 Cb 0.92 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1kvj h ALA 65 CO 0.05 0.73 -1.79 0.82 0.00 0.00 0.00 179.25 179.05 1kvj h ILE 66 N 0.00 0.84 0.00 0.00 1.08 -1.03 -2.61 117.51 115.80 1kvj h ILE 66 Ca -0.12 -2.55 -0.12 0.00 -0.39 0.00 0.00 64.86 61.68 1kvj h ILE 66 Cb 1.46 2.59 -0.02 0.00 -3.07 0.00 0.00 36.82 37.79 1kvj h ILE 66 CO 0.04 0.79 -0.58 -0.78 -0.69 0.00 0.00 178.15 176.94 1kvj h ASP 67 N 0.06 0.00 0.15 1.72 3.58 0.15 -2.77 116.42 119.32 1kvj h ASP 67 Ca -0.34 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 56.85 1kvj h ASP 67 Cb 2.04 0.00 0.02 0.00 1.72 0.00 0.00 39.33 43.10 1kvj h ASP 67 CO 0.12 0.58 -1.07 -0.78 -2.88 0.00 0.00 179.24 175.20 1kvj h ASP 68 N 0.00 0.78 -0.14 2.28 3.58 -1.48 -3.26 116.42 118.18 1kvj h ASP 68 Ca -0.01 -0.65 -0.11 0.00 0.42 0.00 0.00 57.03 56.68 1kvj h ASP 68 Cb 1.19 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1kvj h ASP 68 CO 0.08 1.46 -0.25 0.24 -2.88 0.00 0.00 179.24 177.88 1kvj h MET 69 N 0.31 0.59 0.00 0.28 2.86 -1.43 -3.48 114.93 114.06 1kvj h MET 69 Ca -0.13 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1kvj h MET 69 Cb 1.73 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1kvj h MET 69 CO 0.20 0.79 0.00 0.41 1.06 0.00 0.00 176.91 179.37 1kvj n GLY 70 N -0.30 0.68 2.86 8.32 0.00 -1.06 -5.11 105.19 110.59 1kvj n GLY 70 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1kvj n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kvj s PHE 71 N -0.84 1.53 -0.47 1.61 0.08 -1.13 -5.05 117.98 113.72 1kvj s PHE 71 Ca 0.00 -0.99 -0.36 0.00 0.12 0.00 0.00 56.93 55.70 1kvj s PHE 71 Cb 0.00 -1.23 -0.14 0.00 -0.57 0.00 0.00 43.02 41.08 1kvj s PHE 71 CO 0.00 -0.59 2.26 -3.47 -0.10 0.00 0.00 175.22 173.32 1kvj n ASP 72 N 4.92 1.66 -4.74 1.36 -0.08 -1.25 -4.71 116.55 113.71 1kvj n ASP 72 Ca -0.11 0.35 -0.23 0.00 -1.51 0.00 0.00 54.79 53.29 1kvj n ASP 72 Cb 0.48 -1.18 -0.06 0.00 2.34 0.00 0.00 41.12 42.69 1kvj n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kvj s ALA 73 N 7.72 3.50 -0.30 -1.67 0.00 -1.26 -1.21 121.76 128.55 1kvj s ALA 73 Ca 1.14 -1.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 1kvj s ALA 73 Cb -0.97 -0.77 0.19 0.00 0.00 0.00 0.00 23.12 21.57 1kvj s ALA 73 CO 0.50 0.06 0.88 0.08 0.00 0.00 0.00 175.76 177.27 1kvj s VAL 74 N -2.40 -0.55 0.00 0.00 1.01 -0.67 -4.98 120.40 112.80 1kvj s VAL 74 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1kvj s VAL 74 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1kvj s VAL 74 CO 0.23 0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.63 1kvj n ILE 75 N 5.32 0.00 -3.14 2.22 -6.64 -1.26 -2.97 119.36 112.89 1kvj n ILE 75 Ca 0.03 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.61 1kvj n ILE 75 Cb 0.55 0.00 -0.01 0.00 -1.44 0.00 0.00 39.64 38.74 1kvj n ILE 75 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1kvj n HIS 76 N 0.00 2.81 -4.47 4.28 -0.00 -1.18 -5.00 115.22 111.65 1kvj n HIS 76 Ca 0.00 -3.06 -0.25 0.00 -0.00 0.00 0.00 57.72 54.42 1kvj n HIS 76 Cb 0.00 -1.13 -0.10 0.00 -0.00 0.00 0.00 29.99 28.76 1kvj n HIS 76 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1kvj s ASN 77 N -1.67 3.78 -0.13 0.26 4.22 -1.26 -4.80 114.94 115.33 1kvj s ASN 77 Ca 0.33 -1.07 -0.09 0.00 -2.14 0.00 0.00 52.86 49.88 1kvj s ASN 77 Cb 0.05 -0.38 -0.07 0.00 1.28 0.00 0.00 41.25 42.14 1kvj s ASN 77 CO 0.06 -0.09 0.08 1.55 -2.04 0.00 0.00 177.10 176.65 1kvj h PRO 78 N 2.09 0.00 0.00 3.55 0.13 -1.95 -3.49 132.00 132.33 1kvj h PRO 78 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1kvj h PRO 78 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1kvj h PRO 78 CO 0.65 0.25 0.00 -0.40 -0.23 0.00 0.00 178.00 178.27