#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 2.68 0.24 3.17 9.92 -1.26 -4.80 116.55 126.49 1kvj n ASP 2 Ca 0.00 -3.28 0.13 0.00 -0.53 0.00 0.00 54.79 51.11 1kvj n ASP 2 Cb 0.00 -0.62 0.45 0.00 -0.64 0.00 0.00 41.12 40.31 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 3.57 0.00 0.00 -0.24 0.13 -2.04 -3.40 132.00 130.03 1kvj h PRO 3 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1kvj h PRO 3 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1kvj h PRO 3 CO 0.69 0.12 -0.07 -1.13 -0.23 0.00 0.00 178.00 177.38 1kvj n SER 4 N -3.21 -0.23 -0.28 1.44 3.41 -1.26 -4.84 113.62 108.65 1kvj n SER 4 Ca 0.01 -0.47 0.05 0.00 -0.26 0.00 0.00 58.87 58.21 1kvj n SER 4 Cb 0.43 0.07 0.20 0.00 -0.26 0.00 0.00 64.21 64.64 1kvj n SER 4 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1kvj h MET 5 N 0.00 0.60 -0.38 4.33 2.86 -1.87 -2.64 114.93 117.83 1kvj h MET 5 Ca -0.13 -0.04 -0.29 0.00 -2.06 0.00 0.00 59.70 57.19 1kvj h MET 5 Cb 0.69 -0.14 -0.29 0.00 0.06 0.00 0.00 31.60 31.93 1kvj h MET 5 CO -0.07 0.40 -0.80 0.41 1.06 0.00 0.00 176.91 177.92 1kvj n GLY 6 N -1.32 4.65 3.63 8.32 0.00 -1.26 -5.06 105.19 114.15 1kvj n GLY 6 Ca 0.15 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.52 2.22 0.41 1.61 1.01 -1.00 -4.41 120.40 116.73 1kvj s VAL 7 Ca 0.41 -1.97 0.07 0.00 0.00 0.00 0.00 61.98 60.49 1kvj s VAL 7 Cb 0.38 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1kvj s VAL 7 CO -0.03 -0.07 0.14 0.21 0.00 0.00 0.00 175.10 175.35 1kvj s ASN 8 N -3.73 4.30 -0.07 3.32 3.84 0.56 -4.81 114.94 118.36 1kvj s ASN 8 Ca 0.36 -1.14 0.02 0.00 0.21 0.00 0.00 52.86 52.31 1kvj s ASN 8 Cb 0.06 -0.46 0.02 0.00 -0.55 0.00 0.00 41.25 40.31 1kvj s ASN 8 CO 0.19 -0.52 -0.11 -0.94 -2.79 0.00 0.00 177.10 172.93 1kvj s SER 9 N -3.86 1.72 -0.04 -4.21 1.04 -1.26 0.11 113.70 107.19 1kvj s SER 9 Ca 0.40 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.60 1kvj s SER 9 Cb 0.05 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1kvj s SER 9 CO 0.22 0.01 -0.21 -0.69 0.98 0.00 0.00 173.24 173.54 1kvj s VAL 10 N 0.79 1.69 -0.18 5.02 1.01 0.45 -4.94 120.40 124.25 1kvj s VAL 10 Ca -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1kvj s VAL 10 Cb -0.15 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1kvj s VAL 10 CO 0.02 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.53 1kvj s THR 11 N -0.23 2.29 -0.24 3.92 2.01 -1.26 0.98 115.64 123.10 1kvj s THR 11 Ca 0.01 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1kvj s THR 11 Cb -0.11 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1kvj s THR 11 CO 0.01 0.52 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.84 1kvj s ILE 12 N 1.21 3.60 -0.25 1.82 1.01 0.58 0.29 121.20 129.46 1kvj s ILE 12 Ca 0.03 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1kvj s ILE 12 Cb -0.14 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1kvj s ILE 12 CO -0.09 0.32 1.51 -0.44 0.00 0.00 0.00 174.94 176.23 1kvj s SER 13 N 1.49 6.47 -0.12 3.58 0.01 -0.47 0.51 113.70 125.17 1kvj s SER 13 Ca 0.05 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1kvj s SER 13 Cb -0.15 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1kvj s SER 13 CO -0.01 -1.20 -0.14 -0.69 0.41 0.00 0.00 173.24 171.61 1kvj s VAL 14 N 4.94 2.98 -0.18 3.43 1.01 -0.92 0.17 120.40 131.82 1kvj s VAL 14 Ca 0.66 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1kvj s VAL 14 Cb -0.22 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.82 1kvj s VAL 14 CO 0.27 0.53 0.25 -0.62 0.00 0.00 0.00 175.10 175.54 1kvj n GLU 15 N 3.44 2.18 -0.17 2.72 -0.58 0.44 -3.74 120.64 124.94 1kvj n GLU 15 Ca -0.18 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1kvj n GLU 15 Cb 0.53 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1kvj n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kvj n GLY 16 N 1.64 2.14 3.28 0.62 0.00 -1.25 -4.73 105.19 106.90 1kvj n GLY 16 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.85 2.65 -0.19 1.61 2.81 -1.26 -4.75 117.12 118.83 1kvj n MET 17 Ca 0.00 -2.79 0.19 0.00 -1.81 0.00 0.00 57.70 53.29 1kvj n MET 17 Cb 0.49 -3.41 0.55 0.00 -0.71 0.00 0.00 33.22 30.14 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 5.09 0.70 0.00 2.03 1.35 -1.95 -3.45 112.91 116.67 1kvj h THR 18 Ca 0.44 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1kvj h THR 18 Cb 0.79 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1kvj h THR 18 CO 1.60 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 176.93 1kvj n ASN 20 N 0.00 0.09 0.30 0.00 4.13 -1.26 0.11 115.26 118.64 1kvj n ASN 20 Ca 0.00 1.11 0.13 0.00 1.68 0.00 0.00 54.58 57.49 1kvj n ASN 20 Cb 0.00 -0.55 0.67 0.00 -1.54 0.00 0.00 39.78 38.36 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 1.00 6.41 4.64 -1.98 0.71 113.55 124.33 1kvj h SER 21 Ca 0.86 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 62.12 1kvj h SER 21 Cb 3.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 65.20 1kvj h SER 21 CO -0.21 0.00 -1.04 0.00 -0.87 0.00 0.00 176.83 174.71 1kvj h VAL 23 N 0.00 1.42 -0.00 0.00 2.07 0.27 -1.43 116.25 118.57 1kvj h VAL 23 Ca -0.05 -2.97 -0.16 0.00 0.82 0.00 0.00 66.70 64.33 1kvj h VAL 23 Cb 1.20 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.89 1kvj h VAL 23 CO 0.02 0.87 -0.76 -0.50 0.02 0.00 0.00 177.57 177.22 1kvj h TRP 24 N 0.09 0.08 0.00 1.57 6.55 -1.34 0.15 115.95 123.05 1kvj h TRP 24 Ca -0.17 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1kvj h TRP 24 Cb 2.01 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 30.30 1kvj h TRP 24 CO 0.07 0.79 -0.07 0.00 -1.05 0.00 0.00 178.44 178.18 1kvj h THR 25 N 0.03 0.00 0.00 1.49 1.03 -1.42 -2.43 112.91 111.61 1kvj h THR 25 Ca -0.01 -0.92 -0.04 0.00 -0.01 0.00 0.00 66.41 65.43 1kvj h THR 25 Cb 1.33 1.88 -0.01 0.00 -1.07 0.00 0.00 68.15 70.29 1kvj h THR 25 CO 0.10 0.00 -2.04 -0.38 -0.01 0.00 0.00 175.52 173.20 1kvj n ILE 26 N -2.94 0.16 0.10 0.00 2.08 -0.54 -2.23 119.36 115.99 1kvj n ILE 26 Ca 0.04 -0.54 -0.17 0.00 0.56 0.00 0.00 62.75 62.64 1kvj n ILE 26 Cb 0.52 -0.05 -0.12 0.00 -0.75 0.00 0.00 39.64 39.24 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 0.37 0.17 0.38 4.22 -0.74 -0.40 114.58 118.58 1kvj h GLU 27 Ca -0.06 -0.55 -0.30 0.00 0.08 0.00 0.00 59.36 58.52 1kvj h GLU 27 Cb 1.14 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1kvj h GLU 27 CO 0.00 1.23 -1.40 1.96 -2.18 0.00 0.00 179.01 178.63 1kvj h GLN 28 N 0.14 0.36 0.23 1.92 4.20 -1.59 -1.34 115.11 119.03 1kvj h GLN 28 Ca -0.14 -0.62 -0.01 0.00 0.06 0.00 0.00 58.65 57.94 1kvj h GLN 28 Cb 1.90 0.23 0.00 0.00 0.30 0.00 0.00 27.48 29.91 1kvj h GLN 28 CO 0.21 1.28 -0.11 0.37 -0.67 0.00 0.00 178.83 179.90 1kvj h GLN 29 N 0.10 -0.30 -0.45 1.46 -0.00 -1.49 -2.54 115.11 111.90 1kvj h GLN 29 Ca -0.20 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.46 1kvj h GLN 29 Cb 2.05 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 29.58 1kvj h GLN 29 CO 0.22 -0.20 0.25 0.82 0.00 0.00 0.00 178.83 179.92 1kvj h ILE 30 N -0.85 1.16 -0.98 2.39 1.08 -1.25 1.10 117.51 120.16 1kvj h ILE 30 Ca -0.03 -0.39 0.23 0.00 -0.39 0.00 0.00 64.86 64.28 1kvj h ILE 30 Cb 0.24 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.51 1kvj h ILE 30 CO 0.05 0.16 0.64 1.23 -0.69 0.00 0.00 178.15 179.54 1kvj h GLY 31 N 0.59 1.05 -3.02 5.37 0.00 -1.29 -2.32 103.07 103.46 1kvj h GLY 31 Ca 0.16 -0.20 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 1kvj h GLY 31 CO -0.03 -0.06 -0.82 0.28 0.00 0.00 0.00 176.54 175.91 1kvj n LYS 32 N -4.57 1.81 0.01 4.80 4.76 -0.80 -4.63 118.16 119.54 1kvj n LYS 32 Ca 0.22 -3.29 -0.18 0.00 -2.87 0.00 0.00 58.31 52.19 1kvj n LYS 32 Cb 0.77 -1.43 -0.09 0.00 -1.84 0.00 0.00 35.03 32.44 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1kvj h VAL 33 N 3.53 1.32 0.00 -0.18 3.04 0.18 -3.48 116.25 120.67 1kvj h VAL 33 Ca 0.02 -2.07 0.00 0.00 -1.01 0.00 0.00 66.70 63.64 1kvj h VAL 33 Cb 1.40 2.30 0.00 0.00 -2.01 0.00 0.00 31.29 32.97 1kvj h VAL 33 CO 0.26 0.63 0.00 -3.20 -1.01 0.00 0.00 177.57 174.25 1kvj n ASN 34 N -4.02 -0.44 -3.26 3.17 4.05 -1.26 -5.06 115.26 108.44 1kvj n ASN 34 Ca -0.09 0.29 -0.22 0.00 0.45 0.00 0.00 54.58 55.00 1kvj n ASN 34 Cb 0.76 0.65 -0.08 0.00 1.23 0.00 0.00 39.78 42.34 1kvj n ASN 34 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1kvj s GLY 35 N -2.00 0.69 -0.41 8.20 0.00 -1.26 -5.05 107.32 107.48 1kvj s GLY 35 Ca 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 44.72 42.71 1kvj s GLY 35 CO 0.00 2.44 0.25 0.14 0.00 0.00 0.00 173.10 175.93 1kvj s VAL 36 N 0.24 0.92 0.35 1.40 1.01 -1.26 -3.67 120.40 119.39 1kvj s VAL 36 Ca 0.32 -2.32 0.19 0.00 0.00 0.00 0.00 61.98 60.17 1kvj s VAL 36 Cb 0.03 -1.65 0.18 0.00 0.00 0.00 0.00 36.38 34.94 1kvj s VAL 36 CO -0.17 -0.96 1.91 0.45 0.00 0.00 0.00 175.10 176.33 1kvj h HIS 37 N 6.70 0.00 -3.34 5.22 3.86 -1.90 -3.42 115.15 122.27 1kvj h HIS 37 Ca 0.04 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.94 1kvj h HIS 37 Cb 0.93 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.05 1kvj h HIS 37 CO 0.46 0.27 -0.69 -1.01 0.86 0.00 0.00 177.93 177.81 1kvj s HIS 38 N -4.12 -0.03 -0.04 2.45 3.76 -1.26 -5.01 115.29 111.03 1kvj s HIS 38 Ca -0.02 0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.23 1kvj s HIS 38 Cb 0.13 -0.28 -0.00 0.00 1.11 0.00 0.00 32.58 33.54 1kvj s HIS 38 CO 0.67 -0.16 -0.17 -1.50 -0.85 0.00 0.00 174.74 172.73 1kvj s ILE 39 N 1.60 1.39 -0.10 0.60 -1.16 -1.26 -0.05 121.20 122.22 1kvj s ILE 39 Ca -0.03 -0.69 -0.00 0.00 -0.51 0.00 0.00 60.65 59.42 1kvj s ILE 39 Cb -0.12 -1.19 0.02 0.00 0.61 0.00 0.00 42.46 41.78 1kvj s ILE 39 CO -0.04 0.40 -0.08 -0.75 -2.81 0.00 0.00 174.94 171.67 1kvj s LYS 40 N 0.05 1.45 0.31 3.50 2.20 0.80 -4.95 119.74 123.11 1kvj s LYS 40 Ca -0.04 -0.24 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 1kvj s LYS 40 Cb -0.11 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.68 1kvj s LYS 40 CO 0.02 -0.22 0.18 0.08 -0.36 0.00 0.00 175.35 175.04 1kvj s VAL 41 N 1.56 3.47 -0.42 4.02 1.01 -1.26 0.12 120.40 128.90 1kvj s VAL 41 Ca 0.02 -1.58 0.05 0.00 0.00 0.00 0.00 61.98 60.47 1kvj s VAL 41 Cb -0.13 -3.09 0.17 0.00 0.00 0.00 0.00 36.38 33.33 1kvj s VAL 41 CO -0.06 -0.24 0.49 -0.44 0.00 0.00 0.00 175.10 174.86 1kvj s SER 42 N -3.87 0.19 0.11 3.32 0.01 0.78 -4.93 113.70 109.31 1kvj s SER 42 Ca 0.37 -1.83 -0.32 0.00 1.31 0.00 0.00 55.95 55.48 1kvj s SER 42 Cb -0.05 0.88 -0.11 0.00 0.21 0.00 0.00 66.02 66.95 1kvj s SER 42 CO 0.24 -0.17 1.58 0.25 0.41 0.00 0.00 173.24 175.55 1kvj h LEU 43 N 6.23 -1.28 -0.22 2.44 7.12 -1.96 0.79 115.31 128.43 1kvj h LEU 43 Ca 0.10 0.14 -0.09 0.00 0.13 0.00 0.00 57.88 58.16 1kvj h LEU 43 Cb 1.06 0.47 -0.00 0.00 -0.53 0.00 0.00 40.66 41.66 1kvj h LEU 43 CO 0.17 -0.52 -0.21 -0.33 -0.13 0.00 0.00 178.44 177.43 1kvj h GLU 44 N -0.71 0.52 0.00 1.25 3.07 -1.96 -2.57 114.58 114.19 1kvj h GLU 44 Ca 0.01 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1kvj h GLU 44 Cb 0.71 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1kvj h GLU 44 CO -0.22 0.85 0.00 0.39 -1.40 0.00 0.00 179.01 178.63 1kvj n GLU 45 N -4.42 0.84 -3.73 2.33 1.02 -1.15 -4.91 120.64 110.62 1kvj n GLU 45 Ca -0.05 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 1kvj n GLU 45 Cb 0.41 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 30.70 1kvj n GLU 45 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1kvj n LYS 46 N -0.64 -0.98 -3.61 3.49 3.00 0.27 -4.89 118.16 114.80 1kvj n LYS 46 Ca 0.05 0.40 -0.15 0.00 -0.00 0.00 0.00 58.31 58.61 1kvj n LYS 46 Cb 0.03 -1.84 -0.07 0.00 0.00 0.00 0.00 35.03 33.14 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 -3.13 -0.61 -0.25 3.14 3.84 -0.78 -2.17 114.94 114.98 1kvj s ASN 47 Ca 0.13 0.93 0.01 0.00 0.21 0.00 0.00 52.86 54.14 1kvj s ASN 47 Cb -0.07 0.88 0.06 0.00 -0.55 0.00 0.00 41.25 41.57 1kvj s ASN 47 CO 0.77 -0.41 -0.06 0.00 -2.79 0.00 0.00 177.10 174.61 1kvj s ALA 48 N -0.47 2.17 -0.01 1.71 0.00 0.18 -0.16 121.76 125.19 1kvj s ALA 48 Ca -0.06 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.41 1kvj s ALA 48 Cb -0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1kvj s ALA 48 CO 0.05 -1.24 -0.16 0.99 0.00 0.00 0.00 175.76 175.41 1kvj s THR 49 N 1.29 2.96 -0.01 0.00 2.01 0.33 0.21 115.64 122.44 1kvj s THR 49 Ca -0.05 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1kvj s THR 49 Cb -0.19 -2.20 0.10 0.00 0.01 0.00 0.00 72.50 70.21 1kvj s THR 49 CO -0.06 0.47 0.83 -0.51 -0.69 0.00 0.00 174.62 174.65 1kvj s ILE 50 N -0.83 0.00 0.25 1.82 -1.16 0.27 0.28 121.20 121.83 1kvj s ILE 50 Ca 0.13 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.35 1kvj s ILE 50 Cb -0.11 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.93 1kvj s ILE 50 CO 0.03 0.00 0.16 0.27 -2.81 0.00 0.00 174.94 172.59 1kvj s ILE 51 N -2.67 4.28 0.20 2.00 -5.25 0.93 0.17 121.20 120.85 1kvj s ILE 51 Ca 0.01 -1.49 -0.23 0.00 -0.99 0.00 0.00 60.65 57.96 1kvj s ILE 51 Cb -0.01 -3.31 0.05 0.00 2.95 0.00 0.00 42.46 42.15 1kvj s ILE 51 CO -0.06 -0.35 0.74 -0.72 -1.79 0.00 0.00 174.94 172.76 1kvj s TYR 52 N -2.16 -0.30 -0.30 1.37 1.13 0.29 -3.58 117.35 113.80 1kvj s TYR 52 Ca 0.33 -0.03 -0.29 0.00 -1.41 0.00 0.00 57.07 55.67 1kvj s TYR 52 Cb -0.08 0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 41.41 1kvj s TYR 52 CO 0.24 -0.99 1.51 -0.51 -2.51 0.00 0.00 175.55 173.29 1kvj s ASP 53 N -2.83 6.38 -0.77 -0.18 1.01 -1.24 0.21 116.67 119.24 1kvj s ASP 53 Ca 0.08 1.28 -0.17 0.00 0.71 0.00 0.00 52.55 54.44 1kvj s ASP 53 Cb -0.03 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.23 1kvj s ASP 53 CO -0.01 -1.32 1.94 -0.81 0.21 0.00 0.00 175.17 175.18 1kvj n PRO 54 N 7.78 1.59 0.00 8.23 -0.04 -1.26 -1.95 135.00 149.34 1kvj n PRO 54 Ca 0.18 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1kvj n PRO 54 Cb 0.46 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1kvj n PRO 54 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1kvj n LYS 55 N 6.24 0.00 -0.04 0.54 2.85 -1.26 -4.95 118.16 121.53 1kvj n LYS 55 Ca 0.47 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.72 1kvj n LYS 55 Cb 0.32 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.55 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 -1.64 0.14 -4.15 -5.58 0.00 -1.06 -4.95 117.00 99.75 1kvj n LEU 56 Ca 0.00 0.06 -0.21 0.00 0.00 0.00 0.00 56.01 55.87 1kvj n LEU 56 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 43.42 43.53 1kvj n LEU 56 CO 0.00 0.25 -0.47 -1.58 0.00 0.00 0.00 177.39 175.59 1kvj s GLN 57 N -2.94 0.98 0.20 1.96 2.00 -0.82 -5.01 119.66 116.01 1kvj s GLN 57 Ca -0.08 -0.78 0.01 0.00 -2.00 0.00 0.00 55.36 52.51 1kvj s GLN 57 Cb 0.09 -1.00 -0.05 0.00 0.80 0.00 0.00 33.01 32.86 1kvj s GLN 57 CO 0.86 0.25 0.04 0.95 -0.50 0.00 0.00 175.29 176.88 1kvj s THR 58 N -0.85 0.58 0.55 -0.34 -4.23 -1.26 -4.36 115.64 105.72 1kvj s THR 58 Ca 0.02 -1.98 0.39 0.00 -1.18 0.00 0.00 61.69 58.94 1kvj s THR 58 Cb -0.08 -2.29 0.41 0.00 1.34 0.00 0.00 72.50 71.88 1kvj s THR 58 CO 0.01 -0.31 2.27 1.55 -0.54 0.00 0.00 174.62 177.61 1kvj h PRO 59 N 2.60 0.00 0.05 3.99 0.13 -1.83 0.57 132.00 137.51 1kvj h PRO 59 Ca -0.37 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.50 1kvj h PRO 59 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 1kvj h PRO 59 CO 0.61 0.01 -1.09 0.87 -0.23 0.00 0.00 178.00 178.18 1kvj h LYS 60 N 0.00 0.54 0.00 0.86 6.56 -1.90 0.41 116.57 123.04 1kvj h LYS 60 Ca -0.00 -0.64 -0.13 0.00 -1.06 0.00 0.00 60.65 58.81 1kvj h LYS 60 Cb 0.11 0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 1kvj h LYS 60 CO 0.00 1.26 -0.64 1.79 -2.06 0.00 0.00 179.45 179.80 1kvj h THR 61 N 0.28 1.18 0.00 -0.16 1.35 -1.50 0.17 112.91 114.23 1kvj h THR 61 Ca -0.13 -2.44 -0.10 0.00 -0.55 0.00 0.00 66.41 63.19 1kvj h THR 61 Cb 1.75 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 70.58 1kvj h THR 61 CO 0.20 0.63 -0.49 -0.07 -0.25 0.00 0.00 175.52 175.54 1kvj h LEU 62 N 0.00 0.00 0.00 3.87 3.38 0.17 0.51 115.31 123.24 1kvj h LEU 62 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1kvj h LEU 62 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1kvj h LEU 62 CO 0.08 0.49 -0.53 1.56 0.09 0.00 0.00 178.44 180.12 1kvj h GLN 63 N 0.00 0.00 0.00 1.13 1.08 -0.47 -1.91 115.11 114.95 1kvj h GLN 63 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1kvj h GLN 63 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1kvj h GLN 63 CO 0.06 0.00 -0.95 0.39 -0.95 0.00 0.00 178.83 177.38 1kvj n GLU 64 N -2.73 0.51 0.00 1.46 1.02 0.56 -1.91 120.64 119.55 1kvj n GLU 64 Ca 0.02 0.09 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1kvj n GLU 64 Cb 0.52 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 1kvj n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kvj h ALA 65 N 2.16 0.68 0.04 0.62 0.00 0.05 -1.51 119.26 121.30 1kvj h ALA 65 Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 54.91 53.39 1kvj h ALA 65 Cb 0.92 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1kvj h ALA 65 CO 0.00 1.46 -1.12 0.97 0.00 0.00 0.00 179.25 180.56 1kvj h ILE 66 N 0.00 1.60 0.00 0.00 6.09 -1.42 -2.54 117.51 121.25 1kvj h ILE 66 Ca -0.21 -3.28 -0.13 0.00 -1.37 0.00 0.00 64.86 59.87 1kvj h ILE 66 Cb 1.92 2.86 -0.02 0.00 0.47 0.00 0.00 36.82 42.05 1kvj h ILE 66 CO 0.09 0.93 -0.60 -0.78 -3.07 0.00 0.00 178.15 174.72 1kvj h ASP 67 N 0.02 0.00 -0.07 2.19 3.58 -1.45 -2.24 116.42 118.44 1kvj h ASP 67 Ca -0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1kvj h ASP 67 Cb 1.85 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.89 1kvj h ASP 67 CO 0.15 0.60 0.02 -0.78 -2.88 0.00 0.00 179.24 176.35 1kvj h ASP 68 N 0.00 0.11 -0.24 2.28 3.58 -1.08 -3.08 116.42 118.00 1kvj h ASP 68 Ca -0.01 -0.23 -0.11 0.00 0.42 0.00 0.00 57.03 57.10 1kvj h ASP 68 Cb 1.07 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1kvj h ASP 68 CO 0.08 0.31 -0.24 -0.03 -2.88 0.00 0.00 179.24 176.48 1kvj h MET 69 N -0.09 0.71 0.00 0.28 4.05 -1.41 -3.48 114.93 115.00 1kvj h MET 69 Ca 0.02 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1kvj h MET 69 Cb 0.24 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1kvj h MET 69 CO 0.00 0.89 0.00 0.41 0.23 0.00 0.00 176.91 178.44 1kvj n GLY 70 N -0.24 0.67 2.71 1.39 0.00 -0.87 -5.12 105.19 103.72 1kvj n GLY 70 Ca -0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.08 0.16 -0.51 1.61 0.08 -1.03 -4.97 117.98 112.26 1kvj s PHE 71 Ca 0.00 0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.91 1kvj s PHE 71 Cb 0.00 -0.49 -0.11 0.00 -0.57 0.00 0.00 43.02 41.85 1kvj s PHE 71 CO 0.00 -0.19 2.38 -3.47 -0.10 0.00 0.00 175.22 173.84 1kvj n ASP 72 N 5.05 2.04 -4.46 1.36 -0.08 -1.26 -4.58 116.55 114.62 1kvj n ASP 72 Ca -0.09 -0.05 -0.30 0.00 -1.51 0.00 0.00 54.79 52.84 1kvj n ASP 72 Cb 0.50 -1.38 -0.12 0.00 2.34 0.00 0.00 41.12 42.46 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 9.85 2.59 -0.43 -1.67 0.00 -1.26 -0.42 121.76 130.43 1kvj s ALA 73 Ca 1.08 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1kvj s ALA 73 Cb -0.57 -0.66 0.17 0.00 0.00 0.00 0.00 23.12 22.05 1kvj s ALA 73 CO 0.37 0.58 0.33 0.08 0.00 0.00 0.00 175.76 177.12 1kvj s VAL 74 N -1.00 0.55 0.67 0.00 1.01 0.44 -4.88 120.40 117.18 1kvj s VAL 74 Ca 0.16 -2.66 -0.17 0.00 0.00 0.00 0.00 61.98 59.30 1kvj s VAL 74 Cb -0.10 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 1kvj s VAL 74 CO 0.07 -1.18 0.47 0.00 0.00 0.00 0.00 175.10 174.46 1kvj n ILE 75 N 2.94 1.85 -0.33 2.22 3.06 -1.26 -1.37 119.36 126.46 1kvj n ILE 75 Ca 0.26 -0.44 0.07 0.00 -2.50 0.00 0.00 62.75 60.14 1kvj n ILE 75 Cb 0.45 -0.68 0.20 0.00 0.54 0.00 0.00 39.64 40.15 1kvj n ILE 75 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1kvj n HIS 76 N -2.12 0.65 -4.50 9.51 -0.00 0.15 -4.78 115.22 114.13 1kvj n HIS 76 Ca 0.10 -0.56 -0.21 0.00 -0.00 0.00 0.00 57.72 57.06 1kvj n HIS 76 Cb 0.49 -0.08 -0.15 0.00 -0.00 0.00 0.00 29.99 30.26 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 -1.11 1.43 -0.11 0.26 -0.87 -1.26 -4.91 114.94 108.36 1kvj s ASN 77 Ca 0.30 -0.26 -0.05 0.00 -1.57 0.00 0.00 52.86 51.28 1kvj s ASN 77 Cb 0.18 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.25 41.22 1kvj s ASN 77 CO 0.17 0.12 0.08 1.55 -2.57 0.00 0.00 177.10 176.46 1kvj h PRO 78 N 5.69 0.00 0.00 -0.60 0.13 -1.99 -3.47 132.00 131.77 1kvj h PRO 78 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1kvj h PRO 78 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1kvj h PRO 78 CO 0.48 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15