#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 -6.04 0.20 7.83 9.92 -1.26 -4.84 116.55 122.35 1kvj n ASP 2 Ca 0.00 -0.66 0.14 0.00 -0.53 0.00 0.00 54.79 53.74 1kvj n ASP 2 Cb 0.00 -3.43 0.58 0.00 -0.64 0.00 0.00 41.12 37.64 1kvj n ASP 2 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1kvj h PRO 3 N -0.44 0.00 0.00 -0.24 0.13 -2.06 -3.21 132.00 126.18 1kvj h PRO 3 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1kvj h PRO 3 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1kvj h PRO 3 CO 0.37 0.00 -0.18 -1.13 -0.23 0.00 0.00 178.00 176.84 1kvj n SER 4 N -2.62 0.88 -1.75 1.44 3.41 -1.26 -5.01 113.62 108.71 1kvj n SER 4 Ca 0.01 -0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.21 1kvj n SER 4 Cb 0.26 0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1kvj n SER 4 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1kvj n MET 5 N -0.77 -1.55 -0.72 4.33 1.56 -1.21 -0.30 117.12 118.47 1kvj n MET 5 Ca 0.00 0.88 0.00 0.00 -0.27 0.00 0.00 57.70 58.31 1kvj n MET 5 Cb 0.00 -5.28 0.00 0.00 2.15 0.00 0.00 33.22 30.09 1kvj n MET 5 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kvj n GLY 6 N -0.48 0.71 3.44 -5.12 0.00 -1.26 -5.05 105.19 97.44 1kvj n GLY 6 Ca -0.17 0.00 -0.23 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 -2.43 2.23 0.33 1.61 1.01 0.59 -4.39 120.40 119.34 1kvj s VAL 7 Ca 0.00 -2.33 0.09 0.00 0.00 0.00 0.00 61.98 59.75 1kvj s VAL 7 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1kvj s VAL 7 CO 0.00 -0.43 -0.02 0.20 0.00 0.00 0.00 175.10 174.86 1kvj s ASN 8 N -3.47 4.13 0.02 3.32 -0.87 0.43 -4.72 114.94 113.79 1kvj s ASN 8 Ca 0.28 -0.97 0.05 0.00 -1.57 0.00 0.00 52.86 50.65 1kvj s ASN 8 Cb -0.03 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.25 40.65 1kvj s ASN 8 CO 0.13 -0.19 -0.14 -0.94 -2.57 0.00 0.00 177.10 173.39 1kvj s SER 9 N -3.69 1.71 -0.02 -1.22 1.04 -1.26 0.11 113.70 110.37 1kvj s SER 9 Ca 0.34 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 1kvj s SER 9 Cb -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1kvj s SER 9 CO 0.19 0.09 0.07 -0.69 0.98 0.00 0.00 173.24 173.89 1kvj s VAL 10 N -0.65 0.02 0.01 5.02 1.01 0.17 -4.94 120.40 121.04 1kvj s VAL 10 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1kvj s VAL 10 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1kvj s VAL 10 CO 0.01 -0.10 0.04 -0.89 0.00 0.00 0.00 175.10 174.15 1kvj s THR 11 N -0.29 4.38 -0.17 3.92 2.01 -1.26 -0.08 115.64 124.15 1kvj s THR 11 Ca -0.03 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1kvj s THR 11 Cb -0.02 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.52 1kvj s THR 11 CO 0.00 0.32 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.53 1kvj s ILE 12 N -1.18 1.40 -0.44 1.82 -1.09 0.36 -3.16 121.20 118.90 1kvj s ILE 12 Ca 0.22 -0.76 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 1kvj s ILE 12 Cb -0.12 -1.47 0.03 0.00 -1.58 0.00 0.00 42.46 39.31 1kvj s ILE 12 CO 0.13 0.22 1.01 -0.55 -1.23 0.00 0.00 174.94 174.52 1kvj s SER 13 N 1.52 6.60 -0.11 3.58 0.15 -1.15 0.42 113.70 124.71 1kvj s SER 13 Ca 0.01 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 57.02 1kvj s SER 13 Cb -0.15 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1kvj s SER 13 CO -0.08 -1.07 -0.04 0.54 1.20 0.00 0.00 173.24 173.79 1kvj s VAL 14 N 3.93 3.94 0.47 4.45 0.11 -1.22 -2.06 120.40 130.02 1kvj s VAL 14 Ca 0.41 -0.36 0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1kvj s VAL 14 Cb -0.10 -2.68 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1kvj s VAL 14 CO 0.26 0.55 0.12 -1.61 -3.33 0.00 0.00 175.10 171.09 1kvj s GLU 15 N -0.25 2.16 0.00 1.54 0.41 -0.07 -4.19 118.70 118.31 1kvj s GLU 15 Ca 0.04 -2.12 0.00 0.00 -0.41 0.00 0.00 54.97 52.48 1kvj s GLU 15 Cb -0.13 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 1kvj s GLU 15 CO 0.02 -0.27 0.00 0.41 -0.49 0.00 0.00 175.26 174.93 1kvj n GLY 16 N -1.28 2.31 3.60 -1.39 0.00 -1.26 -2.87 105.19 104.30 1kvj n GLY 16 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1kvj n GLY 16 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kvj s MET 17 N -0.10 3.75 -0.00 1.61 -1.94 -1.26 -4.85 119.30 116.51 1kvj s MET 17 Ca 0.00 0.53 0.13 0.00 -1.71 0.00 0.00 55.69 54.64 1kvj s MET 17 Cb 0.00 -3.86 0.22 0.00 2.01 0.00 0.00 34.83 33.20 1kvj s MET 17 CO 0.00 -1.16 1.09 -2.37 -0.01 0.00 0.00 175.02 172.57 1kvj n THR 18 N 6.37 0.05 -3.64 2.05 5.66 -1.26 -4.87 114.28 118.63 1kvj n THR 18 Ca 0.09 -0.56 -0.08 0.00 -3.05 0.00 0.00 64.05 60.45 1kvj n THR 18 Cb 0.48 0.74 -0.07 0.00 -1.55 0.00 0.00 70.33 69.93 1kvj n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kvj n ASN 20 N 2.20 -0.01 0.14 0.00 4.13 -1.26 0.19 115.26 120.65 1kvj n ASN 20 Ca -0.12 0.26 0.08 0.00 1.68 0.00 0.00 54.58 56.48 1kvj n ASN 20 Cb 0.56 -0.10 0.42 0.00 -1.54 0.00 0.00 39.78 39.12 1kvj n ASN 20 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1kvj n SER 21 N -3.84 0.40 -0.01 6.41 3.41 -1.26 -1.91 113.62 116.82 1kvj n SER 21 Ca 0.04 0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 59.26 1kvj n SER 21 Cb 0.13 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.32 1kvj n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kvj h VAL 23 N 0.00 0.84 0.00 0.00 3.04 -1.53 -2.54 116.25 116.05 1kvj h VAL 23 Ca -0.24 -2.60 -0.08 0.00 -1.01 0.00 0.00 66.70 62.77 1kvj h VAL 23 Cb 1.74 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 33.53 1kvj h VAL 23 CO 0.04 0.71 -0.36 -0.25 -1.01 0.00 0.00 177.57 176.71 1kvj h TRP 24 N 0.04 0.00 0.00 3.17 7.01 -1.57 0.07 115.95 124.67 1kvj h TRP 24 Ca -0.32 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.50 1kvj h TRP 24 Cb 2.02 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 29.05 1kvj h TRP 24 CO 0.04 0.36 -1.09 0.00 -2.79 0.00 0.00 178.44 174.96 1kvj h THR 25 N 0.00 0.99 0.00 2.65 1.03 -1.61 -1.63 112.91 114.34 1kvj h THR 25 Ca -0.00 -2.56 -0.28 0.00 -0.01 0.00 0.00 66.41 63.55 1kvj h THR 25 Cb 1.28 2.43 -0.05 0.00 -1.07 0.00 0.00 68.15 70.74 1kvj h THR 25 CO 0.05 0.56 -1.65 0.40 -0.01 0.00 0.00 175.52 174.87 1kvj h ILE 26 N 0.00 0.90 0.06 0.00 1.08 -1.46 -1.92 117.51 116.18 1kvj h ILE 26 Ca -0.10 -2.74 -0.25 0.00 -0.39 0.00 0.00 64.86 61.38 1kvj h ILE 26 Cb 1.65 2.44 -0.02 0.00 -3.07 0.00 0.00 36.82 37.82 1kvj h ILE 26 CO 0.08 0.51 -1.21 -0.08 -0.69 0.00 0.00 178.15 176.76 1kvj h GLU 27 N 0.00 0.14 0.00 2.37 4.81 -1.09 -2.78 114.58 118.03 1kvj h GLU 27 Ca -0.26 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 1kvj h GLU 27 Cb 1.99 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.44 1kvj h GLU 27 CO 0.08 1.06 -0.69 0.37 -0.73 0.00 0.00 179.01 179.11 1kvj h GLN 28 N 0.04 0.00 0.20 1.92 -0.00 -1.41 -1.62 115.11 114.24 1kvj h GLN 28 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.53 1kvj h GLN 28 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.38 1kvj h GLN 28 CO 0.16 0.64 -0.10 0.37 0.00 0.00 0.00 178.83 179.90 1kvj h GLN 29 N 0.00 -0.26 0.18 1.69 5.75 -1.35 -2.20 115.11 118.92 1kvj h GLN 29 Ca -0.01 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1kvj h GLN 29 Cb 1.51 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 30.11 1kvj h GLN 29 CO 0.08 -0.17 -0.10 0.82 -2.65 0.00 0.00 178.83 176.81 1kvj h ILE 30 N -0.53 0.78 -1.01 2.39 1.08 -1.64 0.89 117.51 119.47 1kvj h ILE 30 Ca -0.03 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.68 1kvj h ILE 30 Cb 0.21 0.78 -0.12 0.00 -3.07 0.00 0.00 36.82 34.62 1kvj h ILE 30 CO 0.04 0.00 0.60 1.23 -0.69 0.00 0.00 178.15 179.34 1kvj h GLY 31 N -0.27 1.84 -1.74 5.37 0.00 -1.43 -0.66 103.07 106.18 1kvj h GLY 31 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1kvj h GLY 31 CO 0.02 -0.19 -0.07 1.17 0.00 0.00 0.00 176.54 177.47 1kvj n LYS 32 N -4.84 2.08 -0.03 4.80 0.00 -0.83 -4.34 118.16 115.01 1kvj n LYS 32 Ca 0.26 -3.06 -0.15 0.00 0.00 0.00 0.00 58.31 55.36 1kvj n LYS 32 Cb 0.71 -1.80 -0.10 0.00 0.00 0.00 0.00 35.03 33.84 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1kvj h VAL 33 N 1.14 1.48 0.00 3.15 3.04 0.24 -3.47 116.25 121.82 1kvj h VAL 33 Ca 0.14 -1.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 1kvj h VAL 33 Cb 1.53 2.53 0.00 0.00 -2.01 0.00 0.00 31.29 33.35 1kvj h VAL 33 CO 0.30 0.51 0.00 -0.46 -1.01 0.00 0.00 177.57 176.91 1kvj n ASN 34 N -4.48 0.00 -2.84 3.17 6.94 -1.26 -5.07 115.26 111.72 1kvj n ASN 34 Ca -0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.46 1kvj n ASN 34 Cb 0.50 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.93 1kvj n ASN 34 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1kvj s GLY 35 N -0.47 -1.52 -0.43 4.83 0.00 -1.26 -5.05 107.32 103.42 1kvj s GLY 35 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1kvj s GLY 35 CO 0.00 4.03 0.23 0.14 0.00 0.00 0.00 173.10 177.50 1kvj s VAL 36 N 1.46 1.31 -0.53 1.40 1.01 -1.26 -3.38 120.40 120.40 1kvj s VAL 36 Ca 0.20 -2.45 0.19 0.00 0.00 0.00 0.00 61.98 59.92 1kvj s VAL 36 Cb 0.03 -1.92 0.19 0.00 0.00 0.00 0.00 36.38 34.69 1kvj s VAL 36 CO -0.10 -0.89 1.58 1.41 0.00 0.00 0.00 175.10 177.10 1kvj n HIS 37 N 3.63 0.57 -3.69 5.22 8.25 -1.25 -4.62 115.22 123.34 1kvj n HIS 37 Ca 0.08 0.25 -0.10 0.00 -0.26 0.00 0.00 57.72 57.70 1kvj n HIS 37 Cb 0.35 -0.91 -0.10 0.00 1.12 0.00 0.00 29.99 30.45 1kvj n HIS 37 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1kvj s HIS 38 N -3.30 -0.67 -0.02 4.41 5.65 -1.26 -5.00 115.29 115.10 1kvj s HIS 38 Ca 0.02 1.38 0.07 0.00 0.25 0.00 0.00 55.06 56.79 1kvj s HIS 38 Cb 0.07 0.30 -0.02 0.00 -1.18 0.00 0.00 32.58 31.76 1kvj s HIS 38 CO 0.27 -0.38 -0.24 0.42 -0.65 0.00 0.00 174.74 174.16 1kvj s ILE 39 N 1.60 1.93 -0.40 0.89 -1.09 -1.26 -0.65 121.20 122.21 1kvj s ILE 39 Ca -0.08 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1kvj s ILE 39 Cb -0.09 -1.61 0.16 0.00 -1.58 0.00 0.00 42.46 39.35 1kvj s ILE 39 CO -0.13 0.54 0.34 -0.75 -1.23 0.00 0.00 174.94 173.71 1kvj s LYS 40 N -0.50 0.81 0.19 2.79 2.36 0.18 -4.95 119.74 120.60 1kvj s LYS 40 Ca 0.07 -1.75 0.06 0.00 -2.55 0.00 0.00 55.97 51.80 1kvj s LYS 40 Cb -0.10 -1.23 -0.04 0.00 -1.05 0.00 0.00 37.83 35.41 1kvj s LYS 40 CO -0.00 -1.33 0.11 0.08 1.55 0.00 0.00 175.35 175.76 1kvj s VAL 41 N 0.47 4.24 -0.38 4.02 1.01 -1.26 -0.00 120.40 128.50 1kvj s VAL 41 Ca 0.28 -1.26 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1kvj s VAL 41 Cb -0.04 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 33.32 1kvj s VAL 41 CO -0.13 -0.16 0.46 -0.44 0.00 0.00 0.00 175.10 174.84 1kvj s SER 42 N -3.21 0.20 0.13 3.32 0.01 -0.87 -4.99 113.70 108.29 1kvj s SER 42 Ca 0.30 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.26 1kvj s SER 42 Cb -0.09 1.07 0.15 0.00 0.21 0.00 0.00 66.02 67.36 1kvj s SER 42 CO 0.22 -0.24 0.84 -0.11 0.41 0.00 0.00 173.24 174.36 1kvj n LEU 43 N 4.39 -0.32 0.10 2.44 7.94 -1.26 0.03 117.00 130.32 1kvj n LEU 43 Ca 0.10 0.94 -0.18 0.00 -1.11 0.00 0.00 56.01 55.76 1kvj n LEU 43 Cb 0.49 -0.23 -0.12 0.00 0.53 0.00 0.00 43.42 44.10 1kvj n LEU 43 CO 0.05 -0.85 -0.03 -0.08 -1.11 0.00 0.00 177.39 175.37 1kvj h GLU 44 N 0.00 0.43 0.00 1.96 4.57 -1.96 -3.00 114.58 116.58 1kvj h GLU 44 Ca 0.20 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1kvj h GLU 44 Cb 0.33 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1kvj h GLU 44 CO -0.54 1.27 0.02 1.49 -1.18 0.00 0.00 179.01 180.07 1kvj h GLU 45 N 0.17 0.00 -6.05 1.92 4.81 -0.81 -3.45 114.58 111.16 1kvj h GLU 45 Ca -0.15 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.67 1kvj h GLU 45 Cb 1.90 0.00 0.07 0.00 0.63 0.00 0.00 28.75 31.35 1kvj h GLU 45 CO 0.21 0.00 -0.85 1.17 -0.73 0.00 0.00 179.01 178.81 1kvj n LYS 46 N -2.33 -3.93 -3.55 1.92 3.00 -0.44 -4.97 118.16 107.86 1kvj n LYS 46 Ca -0.02 0.61 -0.07 0.00 -0.00 0.00 0.00 58.31 58.84 1kvj n LYS 46 Cb 0.06 -5.04 -0.02 0.00 0.00 0.00 0.00 35.03 30.02 1kvj n LYS 46 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1kvj s ASN 47 N -4.10 -0.27 -0.20 3.14 3.84 -1.26 -3.43 114.94 112.66 1kvj s ASN 47 Ca 0.13 0.02 -0.05 0.00 0.21 0.00 0.00 52.86 53.17 1kvj s ASN 47 Cb -0.04 0.28 0.10 0.00 -0.55 0.00 0.00 41.25 41.04 1kvj s ASN 47 CO 0.82 -0.44 0.37 0.00 -2.79 0.00 0.00 177.10 175.06 1kvj s ALA 48 N -2.70 -1.00 -0.17 1.71 0.00 0.17 -2.06 121.76 117.71 1kvj s ALA 48 Ca 0.06 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 1kvj s ALA 48 Cb -0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1kvj s ALA 48 CO -0.07 -0.89 -0.04 -0.08 0.00 0.00 0.00 175.76 174.68 1kvj s THR 49 N 2.55 3.70 0.11 0.00 -1.32 1.00 0.13 115.64 121.81 1kvj s THR 49 Ca 0.03 -0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1kvj s THR 49 Cb -0.13 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 1kvj s THR 49 CO -0.13 0.47 0.05 0.27 -2.21 0.00 0.00 174.62 173.08 1kvj s ILE 50 N 0.66 0.13 0.45 5.08 -5.25 0.88 0.47 121.20 123.62 1kvj s ILE 50 Ca -0.03 -1.85 0.06 0.00 -0.99 0.00 0.00 60.65 57.85 1kvj s ILE 50 Cb -0.15 -1.90 -0.03 0.00 2.95 0.00 0.00 42.46 43.33 1kvj s ILE 50 CO 0.02 -0.58 0.21 0.27 -1.79 0.00 0.00 174.94 173.07 1kvj s ILE 51 N -4.01 2.07 0.18 8.37 -5.25 0.17 0.42 121.20 123.15 1kvj s ILE 51 Ca 0.20 -1.68 -0.24 0.00 -0.99 0.00 0.00 60.65 57.94 1kvj s ILE 51 Cb 0.07 -2.75 0.05 0.00 2.95 0.00 0.00 42.46 42.79 1kvj s ILE 51 CO -0.01 0.00 0.81 -0.72 -1.79 0.00 0.00 174.94 173.23 1kvj s TYR 52 N -2.66 -0.24 -0.22 1.37 1.13 0.31 -3.93 117.35 113.11 1kvj s TYR 52 Ca 0.36 -0.09 -0.22 0.00 -1.41 0.00 0.00 57.07 55.71 1kvj s TYR 52 Cb 0.02 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.51 1kvj s TYR 52 CO 0.20 -0.95 0.68 0.34 -2.51 0.00 0.00 175.55 173.32 1kvj s ASP 53 N -2.85 6.70 0.43 -0.18 -1.08 -1.22 0.16 116.67 118.64 1kvj s ASP 53 Ca 0.09 0.86 0.15 0.00 -0.52 0.00 0.00 52.55 53.13 1kvj s ASP 53 Cb -0.03 -2.37 0.95 0.00 -1.46 0.00 0.00 42.92 40.01 1kvj s ASP 53 CO 0.00 -0.36 1.95 1.55 0.52 0.00 0.00 175.17 178.83 1kvj h PRO 54 N 7.64 0.00 0.00 4.34 0.13 -1.77 0.30 132.00 142.64 1kvj h PRO 54 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1kvj h PRO 54 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1kvj h PRO 54 CO 0.80 0.24 0.00 0.36 -0.23 0.00 0.00 178.00 179.16 1kvj n LYS 55 N -4.20 0.31 -0.02 0.86 2.85 -1.26 -4.09 118.16 112.61 1kvj n LYS 55 Ca -0.02 0.04 -0.04 0.00 -1.05 0.00 0.00 58.31 57.24 1kvj n LYS 55 Cb 0.29 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 1kvj n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1kvj n LEU 56 N -1.32 1.10 0.00 -5.58 0.00 -0.16 -5.13 117.00 105.92 1kvj n LEU 56 Ca 0.11 0.03 -0.06 0.00 0.00 0.00 0.00 56.01 56.09 1kvj n LEU 56 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 43.42 43.51 1kvj n LEU 56 CO 0.21 0.23 0.07 0.00 0.00 0.00 0.00 177.39 177.90 1kvj n GLN 57 N -3.01 0.30 -4.17 1.96 1.13 0.88 -5.04 117.38 109.43 1kvj n GLN 57 Ca -0.07 -1.17 -0.16 0.00 -1.94 0.00 0.00 57.00 53.65 1kvj n GLN 57 Cb 0.56 1.14 -0.07 0.00 0.11 0.00 0.00 30.24 31.98 1kvj n GLN 57 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1kvj s THR 58 N -2.59 0.00 -1.30 5.09 -4.23 -1.26 -4.08 115.64 107.27 1kvj s THR 58 Ca 0.12 -1.80 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1kvj s THR 58 Cb -0.00 -2.54 0.18 0.00 1.34 0.00 0.00 72.50 71.48 1kvj s THR 58 CO 0.09 0.00 1.34 -0.81 -0.54 0.00 0.00 174.62 174.69 1kvj n PRO 59 N -0.53 0.12 0.05 3.99 -0.04 -1.26 -1.57 135.00 135.77 1kvj n PRO 59 Ca 0.03 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 1kvj n PRO 59 Cb 0.63 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.58 0.00 0.54 3.11 -1.94 -1.15 116.57 117.71 1kvj h LYS 60 Ca 0.00 -0.62 0.00 0.00 -2.81 0.00 0.00 60.65 57.22 1kvj h LYS 60 Cb 0.15 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1kvj h LYS 60 CO 0.00 1.23 -1.06 0.25 -2.81 0.00 0.00 179.45 177.07 1kvj n THR 61 N -3.81 0.56 0.05 1.00 -2.24 -1.02 -1.91 114.28 106.91 1kvj n THR 61 Ca -0.09 -0.53 -0.06 0.00 -2.27 0.00 0.00 64.05 61.10 1kvj n THR 61 Cb 0.86 -0.29 0.11 0.00 -2.10 0.00 0.00 70.33 68.91 1kvj n THR 61 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1kvj h LEU 62 N 0.00 0.40 0.02 3.22 5.85 -1.26 1.03 115.31 124.57 1kvj h LEU 62 Ca 0.00 -0.21 -0.23 0.00 0.84 0.00 0.00 57.88 58.28 1kvj h LEU 62 Cb 0.98 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1kvj h LEU 62 CO 0.00 0.87 -1.14 -0.61 -0.34 0.00 0.00 178.44 177.22 1kvj h GLN 63 N 0.28 0.04 0.00 1.25 4.15 -1.25 -1.73 115.11 117.85 1kvj h GLN 63 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1kvj h GLN 63 Cb 1.05 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1kvj h GLN 63 CO 0.09 0.96 0.00 0.93 -1.93 0.00 0.00 178.83 178.89 1kvj h GLU 64 N 0.01 0.00 0.00 1.69 5.08 -0.90 1.42 114.58 121.88 1kvj h GLU 64 Ca -0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1kvj h GLU 64 Cb 1.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1kvj h GLU 64 CO 0.13 0.00 -1.07 0.00 -1.00 0.00 0.00 179.01 177.08 1kvj h ALA 65 N 2.14 0.65 0.14 3.43 0.00 0.13 -1.99 119.26 123.76 1kvj h ALA 65 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 54.91 53.98 1kvj h ALA 65 Cb 0.63 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1kvj h ALA 65 CO 0.00 0.70 -1.63 0.82 0.00 0.00 0.00 179.25 179.14 1kvj h ILE 66 N 0.00 0.93 -0.15 0.00 1.08 -0.36 -2.24 117.51 116.77 1kvj h ILE 66 Ca -0.09 -2.42 -0.03 0.00 -0.39 0.00 0.00 64.86 61.92 1kvj h ILE 66 Cb 1.44 2.69 -0.01 0.00 -3.07 0.00 0.00 36.82 37.87 1kvj h ILE 66 CO 0.04 0.78 -0.05 0.44 -0.69 0.00 0.00 178.15 178.68 1kvj h ASP 67 N -0.11 0.20 0.06 1.72 5.19 0.18 -1.99 116.42 121.67 1kvj h ASP 67 Ca -0.34 -0.03 -0.24 0.00 -0.62 0.00 0.00 57.03 55.80 1kvj h ASP 67 Cb 1.92 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 41.39 1kvj h ASP 67 CO 0.10 0.29 -0.94 -0.78 -3.12 0.00 0.00 179.24 174.79 1kvj h ASP 68 N 0.22 0.81 -0.55 6.45 3.58 -1.42 -3.29 116.42 122.22 1kvj h ASP 68 Ca 0.05 -0.62 0.09 0.00 0.42 0.00 0.00 57.03 56.97 1kvj h ASP 68 Cb 0.23 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 40.97 1kvj h ASP 68 CO 0.01 1.41 0.16 -0.03 -2.88 0.00 0.00 179.24 177.91 1kvj h MET 69 N 0.39 0.31 0.00 0.28 4.05 -0.72 -3.46 114.93 115.77 1kvj h MET 69 Ca -0.10 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1kvj h MET 69 Cb 1.58 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.31 1kvj h MET 69 CO 0.18 0.21 0.00 0.41 0.23 0.00 0.00 176.91 177.94 1kvj n GLY 70 N -1.29 1.49 2.86 1.39 0.00 -1.08 -5.07 105.19 103.49 1kvj n GLY 70 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 -0.01 0.27 1.61 0.08 -1.24 -4.96 117.98 111.72 1kvj s PHE 71 Ca 0.00 0.09 -0.31 0.00 0.12 0.00 0.00 56.93 56.84 1kvj s PHE 71 Cb 0.00 -0.07 -0.13 0.00 -0.57 0.00 0.00 43.02 42.26 1kvj s PHE 71 CO 0.00 -0.04 1.49 -0.25 -0.10 0.00 0.00 175.22 176.32 1kvj n ASP 72 N 3.45 3.27 -4.26 1.36 9.92 -1.14 -4.53 116.55 124.62 1kvj n ASP 72 Ca -0.17 1.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.95 1kvj n ASP 72 Cb 0.57 -1.51 -0.16 0.00 -0.64 0.00 0.00 41.12 39.38 1kvj n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kvj s ALA 73 N -0.05 1.91 -0.30 2.24 0.00 -1.26 -0.89 121.76 123.41 1kvj s ALA 73 Ca 0.66 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1kvj s ALA 73 Cb -0.58 -0.47 0.18 0.00 0.00 0.00 0.00 23.12 22.25 1kvj s ALA 73 CO 0.49 0.46 0.50 0.08 0.00 0.00 0.00 175.76 177.29 1kvj s VAL 74 N -0.57 -0.80 0.00 0.00 1.01 -0.87 -4.98 120.40 114.19 1kvj s VAL 74 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1kvj s VAL 74 Cb -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1kvj s VAL 74 CO -0.00 -0.16 0.00 2.30 0.00 0.00 0.00 175.10 177.23 1kvj n ILE 75 N 5.28 0.00 -2.26 2.22 -6.64 -1.26 -2.91 119.36 113.79 1kvj n ILE 75 Ca 0.03 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.64 1kvj n ILE 75 Cb 0.52 0.00 0.02 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 3.04 -4.65 4.28 -0.00 -1.19 -4.96 115.22 111.75 1kvj n HIS 76 Ca 0.00 -2.59 -0.27 0.00 -0.00 0.00 0.00 57.72 54.86 1kvj n HIS 76 Cb 0.00 -1.01 -0.14 0.00 -0.00 0.00 0.00 29.99 28.84 1kvj n HIS 76 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1kvj s ASN 77 N -1.61 2.73 -0.02 0.26 -0.87 -1.26 -4.84 114.94 109.33 1kvj s ASN 77 Ca 0.48 -0.58 -0.16 0.00 -1.57 0.00 0.00 52.86 51.02 1kvj s ASN 77 Cb 0.35 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.25 41.27 1kvj s ASN 77 CO -0.29 0.17 0.74 1.55 -2.57 0.00 0.00 177.10 176.71 1kvj h PRO 78 N 4.67 -0.56 0.00 -0.60 0.13 -1.93 -3.49 132.00 130.21 1kvj h PRO 78 Ca -0.45 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1kvj h PRO 78 Cb 1.16 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1kvj h PRO 78 CO 0.43 -0.38 0.00 -0.40 -0.23 0.00 0.00 178.00 177.42