#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 1.85 0.00 7.83 9.92 -1.26 -4.81 116.55 130.08 1kvj n ASP 2 Ca 0.00 -2.25 0.13 0.00 -0.53 0.00 0.00 54.79 52.14 1kvj n ASP 2 Cb 0.00 -0.44 0.67 0.00 -0.64 0.00 0.00 41.12 40.71 1kvj n ASP 2 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1kvj n PRO 3 N -0.46 0.40 0.00 -0.24 -0.04 -1.26 -3.63 135.00 129.77 1kvj n PRO 3 Ca 0.11 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1kvj n PRO 3 Cb 0.87 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1kvj n PRO 3 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kvj n SER 4 N -1.27 0.00 0.00 3.54 7.64 -1.17 -4.87 113.62 117.49 1kvj n SER 4 Ca 0.13 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1kvj n SER 4 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1kvj n SER 4 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1kvj n MET 5 N 0.00 0.00 0.01 1.43 2.81 -1.24 -3.46 117.12 116.67 1kvj n MET 5 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1kvj n MET 5 Cb 0.48 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.85 1kvj n MET 5 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1kvj h GLY 6 N 0.00 0.22 -0.03 3.03 0.00 -1.95 -3.49 103.07 100.85 1kvj h GLY 6 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1kvj h GLY 6 CO 0.00 0.48 -0.02 3.33 0.00 0.00 0.00 176.54 180.34 1kvj n VAL 7 N -3.35 0.00 -4.31 4.60 0.24 -1.23 -4.75 118.33 109.53 1kvj n VAL 7 Ca -0.24 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 1kvj n VAL 7 Cb 1.05 0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.35 1kvj n VAL 7 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1kvj s ASN 8 N -1.09 2.07 -0.11 -1.34 2.47 0.55 -3.05 114.94 114.44 1kvj s ASN 8 Ca 0.01 -1.08 0.04 0.00 0.42 0.00 0.00 52.86 52.24 1kvj s ASN 8 Cb 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 1kvj s ASN 8 CO 0.00 -0.34 -0.23 -0.55 -3.72 0.00 0.00 177.10 172.26 1kvj s SER 9 N -3.26 3.10 -0.07 -4.21 0.15 -1.26 0.14 113.70 108.29 1kvj s SER 9 Ca 0.22 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.35 1kvj s SER 9 Cb 0.03 -1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1kvj s SER 9 CO 0.05 0.14 -0.23 -0.69 1.20 0.00 0.00 173.24 173.71 1kvj s VAL 10 N 0.46 1.94 -0.20 4.45 1.01 0.41 -4.94 120.40 123.53 1kvj s VAL 10 Ca -0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 1kvj s VAL 10 Cb -0.17 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 1kvj s VAL 10 CO 0.06 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.71 1kvj s THR 11 N 0.02 2.93 -0.09 3.92 2.01 -1.26 0.30 115.64 123.47 1kvj s THR 11 Ca -0.08 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1kvj s THR 11 Cb -0.15 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1kvj s THR 11 CO 0.05 0.47 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.72 1kvj s ILE 12 N 1.28 2.32 -0.15 1.82 2.07 0.59 -0.58 121.20 128.56 1kvj s ILE 12 Ca 0.03 -0.94 -0.29 0.00 -1.41 0.00 0.00 60.65 58.04 1kvj s ILE 12 Cb -0.14 -1.89 -0.01 0.00 0.13 0.00 0.00 42.46 40.54 1kvj s ILE 12 CO -0.05 0.56 1.16 -0.44 -1.91 0.00 0.00 174.94 174.26 1kvj s SER 13 N 0.11 7.05 -0.13 4.50 0.01 -0.29 0.10 113.70 125.05 1kvj s SER 13 Ca -0.10 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1kvj s SER 13 Cb -0.16 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.55 1kvj s SER 13 CO 0.06 -0.66 -0.12 -0.69 0.41 0.00 0.00 173.24 172.24 1kvj s VAL 14 N 2.97 1.36 0.23 3.43 1.01 -0.34 -0.16 120.40 128.91 1kvj s VAL 14 Ca 0.51 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1kvj s VAL 14 Cb -0.20 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1kvj s VAL 14 CO 0.14 0.42 0.07 -0.70 0.00 0.00 0.00 175.10 175.04 1kvj s GLU 15 N 1.42 2.58 0.00 2.72 2.56 -0.88 -3.59 118.70 123.52 1kvj s GLU 15 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 54.97 53.82 1kvj s GLU 15 Cb -0.13 -2.39 0.00 0.00 2.00 0.00 0.00 34.13 33.61 1kvj s GLU 15 CO -0.08 0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.45 1kvj n GLY 16 N -0.72 0.84 0.33 -1.50 0.00 -1.26 -2.85 105.19 100.02 1kvj n GLY 16 Ca -0.08 -0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.14 1kvj n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1kvj h MET 17 N 3.00 0.30 0.00 1.61 2.86 -1.82 -3.43 114.93 117.45 1kvj h MET 17 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1kvj h MET 17 Cb 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1kvj h MET 17 CO 0.00 0.20 0.00 2.41 1.06 0.00 0.00 176.91 180.58 1kvj n THR 18 N -5.09 0.00 -3.58 2.22 -1.04 -1.26 -4.29 114.28 101.24 1kvj n THR 18 Ca 0.28 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.20 1kvj n THR 18 Cb 0.87 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.33 1kvj n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kvj n ASN 20 N 0.51 0.13 0.08 0.00 0.23 -1.26 0.10 115.26 115.05 1kvj n ASN 20 Ca -0.08 0.77 0.19 0.00 -0.53 0.00 0.00 54.58 54.94 1kvj n ASN 20 Cb 0.59 -0.36 0.60 0.00 -2.08 0.00 0.00 39.78 38.53 1kvj n ASN 20 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1kvj h SER 21 N 0.00 0.00 0.98 0.53 4.64 -1.95 1.03 113.55 118.78 1kvj h SER 21 Ca 0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1kvj h SER 21 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1kvj h SER 21 CO -0.37 0.00 -1.04 0.00 -0.87 0.00 0.00 176.83 174.55 1kvj h VAL 23 N 0.00 0.97 -0.19 0.00 2.07 0.65 -1.77 116.25 117.98 1kvj h VAL 23 Ca -0.03 -2.59 -0.05 0.00 0.82 0.00 0.00 66.70 64.86 1kvj h VAL 23 Cb 1.11 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1kvj h VAL 23 CO 0.01 0.84 -0.09 -0.50 0.02 0.00 0.00 177.57 177.85 1kvj h TRP 24 N 0.09 0.31 0.00 1.57 6.55 0.02 0.66 115.95 125.15 1kvj h TRP 24 Ca -0.32 -0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.38 1kvj h TRP 24 Cb 2.07 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 30.26 1kvj h TRP 24 CO 0.08 0.39 -0.80 0.00 -1.05 0.00 0.00 178.44 177.07 1kvj h THR 25 N 0.29 0.65 0.04 1.49 1.03 -1.49 -2.21 112.91 112.70 1kvj h THR 25 Ca 0.06 -2.01 -0.33 0.00 -0.01 0.00 0.00 66.41 64.13 1kvj h THR 25 Cb 0.34 2.22 -0.04 0.00 -1.07 0.00 0.00 68.15 69.60 1kvj h THR 25 CO 0.02 0.37 -1.91 -0.38 -0.01 0.00 0.00 175.52 173.61 1kvj n ILE 26 N -3.08 1.63 0.09 0.00 2.08 -0.67 -2.05 119.36 117.36 1kvj n ILE 26 Ca -0.02 -0.75 -0.14 0.00 0.56 0.00 0.00 62.75 62.40 1kvj n ILE 26 Cb 0.75 -1.19 -0.09 0.00 -0.75 0.00 0.00 39.64 38.36 1kvj n ILE 26 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1kvj h GLU 27 N 0.02 0.30 -0.01 0.38 5.08 0.18 0.11 114.58 120.64 1kvj h GLU 27 Ca -0.37 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 57.44 1kvj h GLU 27 Cb 2.04 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.41 1kvj h GLU 27 CO 0.07 1.14 -0.65 0.37 -1.00 0.00 0.00 179.01 178.94 1kvj h GLN 28 N 0.12 0.03 0.11 2.33 4.15 -1.53 0.70 115.11 121.03 1kvj h GLN 28 Ca -0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1kvj h GLN 28 Cb 1.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.48 1kvj h GLN 28 CO 0.18 0.67 -0.05 1.96 -1.93 0.00 0.00 178.83 179.66 1kvj h GLN 29 N 0.02 -0.14 -0.74 1.69 1.08 -1.28 -3.03 115.11 112.70 1kvj h GLN 29 Ca -0.01 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1kvj h GLN 29 Cb 1.15 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.57 1kvj h GLN 29 CO 0.09 -0.10 0.47 0.82 -0.95 0.00 0.00 178.83 179.16 1kvj h ILE 30 N -0.91 1.13 -0.37 2.54 1.08 -1.08 0.67 117.51 120.57 1kvj h ILE 30 Ca -0.02 -0.32 0.08 0.00 -0.39 0.00 0.00 64.86 64.21 1kvj h ILE 30 Cb 0.11 0.11 -0.09 0.00 -3.07 0.00 0.00 36.82 33.89 1kvj h ILE 30 CO 0.03 0.17 -0.27 1.23 -0.69 0.00 0.00 178.15 178.62 1kvj h GLY 31 N 0.94 -0.12 -3.11 5.37 0.00 -0.99 -1.50 103.07 103.66 1kvj h GLY 31 Ca 0.29 0.34 -0.20 0.00 0.00 0.00 0.00 47.33 47.76 1kvj h GLY 31 CO -0.09 -0.21 0.20 0.58 0.00 0.00 0.00 176.54 177.02 1kvj n LYS 32 N -5.40 3.21 -0.14 4.80 2.85 -1.03 -4.43 118.16 118.02 1kvj n LYS 32 Ca 0.01 -3.06 -0.10 0.00 -1.05 0.00 0.00 58.31 54.11 1kvj n LYS 32 Cb 0.32 -2.10 -0.01 0.00 -0.65 0.00 0.00 35.03 32.59 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1kvj h VAL 33 N 2.15 1.22 0.00 0.58 3.04 0.15 -3.47 116.25 119.92 1kvj h VAL 33 Ca 0.24 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1kvj h VAL 33 Cb 2.13 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1kvj h VAL 33 CO 0.63 0.27 0.00 -3.20 -1.01 0.00 0.00 177.57 174.26 1kvj n ASN 34 N -4.57 -0.03 -3.13 3.17 2.85 -1.26 -5.06 115.26 107.22 1kvj n ASN 34 Ca -0.00 0.18 -0.16 0.00 -0.11 0.00 0.00 54.58 54.49 1kvj n ASN 34 Cb 0.20 0.22 -0.05 0.00 1.24 0.00 0.00 39.78 41.38 1kvj n ASN 34 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1kvj s GLY 35 N -2.00 0.01 -0.35 8.20 0.00 -1.26 -5.07 107.32 106.86 1kvj s GLY 35 Ca 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 44.72 43.31 1kvj s GLY 35 CO 0.00 2.85 0.14 0.14 0.00 0.00 0.00 173.10 176.23 1kvj s VAL 36 N 0.59 0.93 -0.68 1.40 1.01 -1.26 -2.99 120.40 119.39 1kvj s VAL 36 Ca 0.29 -1.70 0.16 0.00 0.00 0.00 0.00 61.98 60.73 1kvj s VAL 36 Cb -0.00 -1.69 0.16 0.00 0.00 0.00 0.00 36.38 34.84 1kvj s VAL 36 CO -0.11 -0.76 1.50 1.41 0.00 0.00 0.00 175.10 177.13 1kvj n HIS 37 N 4.46 0.40 -3.46 5.22 8.25 -1.19 -4.62 115.22 124.29 1kvj n HIS 37 Ca 0.02 0.17 0.01 0.00 -0.26 0.00 0.00 57.72 57.66 1kvj n HIS 37 Cb 0.40 -0.78 -0.05 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.20 -0.61 -0.02 4.41 5.65 -1.26 -4.99 115.29 115.27 1kvj s HIS 38 Ca 0.03 1.10 0.07 0.00 0.25 0.00 0.00 55.06 56.51 1kvj s HIS 38 Cb 0.07 0.37 -0.02 0.00 -1.18 0.00 0.00 32.58 31.81 1kvj s HIS 38 CO 0.25 -0.30 -0.24 -1.50 -0.65 0.00 0.00 174.74 172.30 1kvj s ILE 39 N 2.11 2.25 -0.11 0.89 -1.16 -1.26 0.53 121.20 124.44 1kvj s ILE 39 Ca -0.04 -1.04 -0.03 0.00 -0.51 0.00 0.00 60.65 59.02 1kvj s ILE 39 Cb -0.05 -1.80 0.05 0.00 0.61 0.00 0.00 42.46 41.27 1kvj s ILE 39 CO -0.17 0.58 0.11 -0.75 -2.81 0.00 0.00 174.94 171.90 1kvj s LYS 40 N -0.65 0.02 0.28 3.50 2.20 0.12 -4.94 119.74 120.27 1kvj s LYS 40 Ca 0.10 0.24 0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1kvj s LYS 40 Cb -0.10 -1.00 -0.04 0.00 -1.51 0.00 0.00 37.83 35.19 1kvj s LYS 40 CO -0.01 -0.48 0.16 0.08 -0.36 0.00 0.00 175.35 174.75 1kvj s VAL 41 N 2.20 3.96 -0.54 4.02 1.01 -1.26 0.18 120.40 129.96 1kvj s VAL 41 Ca 0.04 -1.54 0.05 0.00 0.00 0.00 0.00 61.98 60.53 1kvj s VAL 41 Cb -0.14 -3.20 0.20 0.00 0.00 0.00 0.00 36.38 33.24 1kvj s VAL 41 CO -0.06 -0.32 0.50 -0.24 0.00 0.00 0.00 175.10 174.98 1kvj n SER 42 N -1.14 1.51 -0.29 3.32 2.88 0.36 -4.93 113.62 115.33 1kvj n SER 42 Ca -0.06 -2.89 -0.03 0.00 -1.33 0.00 0.00 58.87 54.56 1kvj n SER 42 Cb 0.59 -0.65 -0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1kvj n SER 42 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1kvj n LEU 43 N 1.92 -0.56 0.02 2.46 7.94 -1.26 0.25 117.00 127.78 1kvj n LEU 43 Ca 0.25 1.27 -0.09 0.00 -1.11 0.00 0.00 56.01 56.33 1kvj n LEU 43 Cb 0.44 -0.25 -0.13 0.00 0.53 0.00 0.00 43.42 44.00 1kvj n LEU 43 CO 0.22 -1.10 -0.22 -0.33 -1.11 0.00 0.00 177.39 174.84 1kvj h GLU 44 N 0.00 0.04 0.00 1.96 3.07 -1.96 -3.25 114.58 114.44 1kvj h GLU 44 Ca 0.21 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1kvj h GLU 44 Cb 0.39 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1kvj h GLU 44 CO -0.70 0.80 0.00 -1.91 -1.40 0.00 0.00 179.01 175.80 1kvj n GLU 45 N -3.24 0.55 -3.71 2.33 2.13 -0.23 -4.91 120.64 113.57 1kvj n GLU 45 Ca -0.10 0.03 -0.24 0.00 0.66 0.00 0.00 57.16 57.51 1kvj n GLU 45 Cb 1.00 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 31.24 1kvj n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1kvj n LYS 46 N -1.16 -3.67 -3.56 5.31 4.01 0.14 -4.91 118.16 114.31 1kvj n LYS 46 Ca 0.15 0.56 -0.17 0.00 -0.51 0.00 0.00 58.31 58.35 1kvj n LYS 46 Cb 0.15 -4.89 -0.06 0.00 -0.51 0.00 0.00 35.03 29.72 1kvj n LYS 46 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1kvj s ASN 47 N -4.12 -0.62 -0.06 4.39 2.47 -1.18 -1.20 114.94 114.62 1kvj s ASN 47 Ca 0.13 0.74 0.01 0.00 0.42 0.00 0.00 52.86 54.16 1kvj s ASN 47 Cb -0.04 0.63 0.02 0.00 -1.45 0.00 0.00 41.25 40.41 1kvj s ASN 47 CO 0.83 -0.55 -0.07 0.00 -3.72 0.00 0.00 177.10 173.59 1kvj s ALA 48 N -1.00 0.94 -0.12 1.71 0.00 0.28 0.14 121.76 123.71 1kvj s ALA 48 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1kvj s ALA 48 Cb -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1kvj s ALA 48 CO 0.08 -0.05 -0.11 -0.08 0.00 0.00 0.00 175.76 175.60 1kvj s THR 49 N 1.01 1.28 0.20 0.00 -1.32 0.46 0.22 115.64 117.48 1kvj s THR 49 Ca -0.09 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 59.94 1kvj s THR 49 Cb -0.14 -1.24 -0.05 0.00 -1.51 0.00 0.00 72.50 69.56 1kvj s THR 49 CO -0.00 0.41 0.06 0.27 -2.21 0.00 0.00 174.62 173.15 1kvj s ILE 50 N 1.53 0.43 0.14 5.08 -5.25 0.15 0.15 121.20 123.43 1kvj s ILE 50 Ca 0.03 -1.98 0.06 0.00 -0.99 0.00 0.00 60.65 57.78 1kvj s ILE 50 Cb -0.13 -2.33 -0.04 0.00 2.95 0.00 0.00 42.46 42.91 1kvj s ILE 50 CO -0.08 -0.25 0.02 -0.51 -1.79 0.00 0.00 174.94 172.32 1kvj s ILE 51 N -3.84 3.92 0.22 8.37 -1.16 0.19 0.16 121.20 129.06 1kvj s ILE 51 Ca 0.31 -1.23 -0.23 0.00 -0.51 0.00 0.00 60.65 58.99 1kvj s ILE 51 Cb 0.07 -2.94 0.04 0.00 0.61 0.00 0.00 42.46 40.24 1kvj s ILE 51 CO 0.08 -0.03 0.83 -0.72 -2.81 0.00 0.00 174.94 172.29 1kvj s TYR 52 N -1.58 -0.15 -0.29 3.50 1.13 0.38 -3.15 117.35 117.19 1kvj s TYR 52 Ca 0.27 -0.24 -0.27 0.00 -1.41 0.00 0.00 57.07 55.42 1kvj s TYR 52 Cb -0.10 0.68 0.01 0.00 -1.10 0.00 0.00 41.96 41.45 1kvj s TYR 52 CO 0.19 -1.06 0.97 0.34 -2.51 0.00 0.00 175.55 173.48 1kvj s ASP 53 N -2.94 6.89 0.59 -0.18 -1.08 -1.16 0.20 116.67 118.99 1kvj s ASP 53 Ca 0.12 1.02 0.35 0.00 -0.52 0.00 0.00 52.55 53.52 1kvj s ASP 53 Cb -0.04 -2.50 1.81 0.00 -1.46 0.00 0.00 42.92 40.73 1kvj s ASP 53 CO 0.05 -0.73 2.17 1.55 0.52 0.00 0.00 175.17 178.73 1kvj h PRO 54 N 7.91 0.00 0.00 4.34 0.13 -1.86 2.03 132.00 144.56 1kvj h PRO 54 Ca -0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1kvj h PRO 54 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1kvj h PRO 54 CO 0.97 0.04 -0.64 1.57 -0.23 0.00 0.00 178.00 179.70 1kvj h LYS 55 N 0.00 0.00 0.00 0.86 2.10 -1.92 -3.38 116.57 114.22 1kvj h LYS 55 Ca -0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1kvj h LYS 55 Cb 0.23 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.52 1kvj h LYS 55 CO 0.01 0.16 -1.90 -0.11 -2.00 0.00 0.00 179.45 175.61 1kvj n LEU 56 N -2.97 2.81 -4.33 7.07 7.94 -0.23 -5.04 117.00 122.25 1kvj n LEU 56 Ca 0.00 -0.08 -0.17 0.00 -1.11 0.00 0.00 56.01 54.65 1kvj n LEU 56 Cb 0.64 -0.50 -0.10 0.00 0.53 0.00 0.00 43.42 43.98 1kvj n LEU 56 CO 0.39 0.74 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.90 1kvj s GLN 57 N -2.32 1.28 0.23 1.96 -1.52 0.67 -4.99 119.66 114.98 1kvj s GLN 57 Ca -0.20 -1.58 -0.06 0.00 -1.95 0.00 0.00 55.36 51.56 1kvj s GLN 57 Cb 0.05 -0.93 -0.02 0.00 -0.22 0.00 0.00 33.01 31.89 1kvj s GLN 57 CO 0.37 0.11 0.30 0.95 -0.25 0.00 0.00 175.29 176.77 1kvj s THR 58 N -3.12 0.00 -0.65 -0.19 -4.23 -1.26 -3.64 115.64 102.55 1kvj s THR 58 Ca 0.22 -1.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1kvj s THR 58 Cb 0.01 -2.38 0.14 0.00 1.34 0.00 0.00 72.50 71.62 1kvj s THR 58 CO 0.06 0.00 1.44 -0.81 -0.54 0.00 0.00 174.62 174.77 1kvj n PRO 59 N -0.34 0.08 -0.00 3.99 -0.04 -1.26 0.30 135.00 137.74 1kvj n PRO 59 Ca 0.00 0.48 -0.07 0.00 -0.04 0.00 0.00 63.50 63.87 1kvj n PRO 59 Cb 0.64 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.00 0.00 0.54 1.63 -1.95 -2.31 116.57 114.49 1kvj h LYS 60 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1kvj h LYS 60 Cb 0.12 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1kvj h LYS 60 CO 0.00 0.56 -1.41 0.25 -3.45 0.00 0.00 179.45 175.40 1kvj n THR 61 N -3.08 1.06 0.10 1.00 -2.24 -0.35 -1.95 114.28 108.82 1kvj n THR 61 Ca -0.13 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 60.95 1kvj n THR 61 Cb 1.01 -0.64 0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1kvj n THR 61 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1kvj h LEU 62 N 0.00 0.00 -0.01 3.22 3.38 -0.26 0.18 115.31 121.82 1kvj h LEU 62 Ca -0.15 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 1kvj h LEU 62 Cb 1.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 1kvj h LEU 62 CO 0.04 0.78 -1.00 -0.61 0.09 0.00 0.00 178.44 177.74 1kvj h GLN 63 N 0.00 0.01 0.00 1.13 4.15 -1.47 -1.87 115.11 117.06 1kvj h GLN 63 Ca -0.01 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1kvj h GLN 63 Cb 1.44 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1kvj h GLN 63 CO 0.10 1.00 -0.21 1.05 -1.93 0.00 0.00 178.83 178.84 1kvj h GLU 64 N 0.00 0.00 0.00 1.69 4.11 -1.16 0.62 114.58 119.85 1kvj h GLU 64 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.26 1kvj h GLU 64 Cb 1.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.99 1kvj h GLU 64 CO 0.13 0.21 -0.74 0.00 0.07 0.00 0.00 179.01 178.68 1kvj h ALA 65 N 1.79 0.53 0.13 1.06 0.00 -0.52 0.45 119.26 122.70 1kvj h ALA 65 Ca -0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 53.93 1kvj h ALA 65 Cb 1.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1kvj h ALA 65 CO 0.03 0.91 -1.48 0.82 0.00 0.00 0.00 179.25 179.53 1kvj h ILE 66 N 0.00 1.22 -0.05 0.00 1.08 -0.98 -2.48 117.51 116.30 1kvj h ILE 66 Ca -0.01 -2.83 -0.15 0.00 -0.39 0.00 0.00 64.86 61.48 1kvj h ILE 66 Cb 1.56 2.82 -0.01 0.00 -3.07 0.00 0.00 36.82 38.12 1kvj h ILE 66 CO 0.09 0.83 -0.63 0.44 -0.69 0.00 0.00 178.15 178.20 1kvj h ASP 67 N 0.08 0.22 -0.19 1.72 3.32 0.31 -2.22 116.42 119.65 1kvj h ASP 67 Ca -0.23 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 1kvj h ASP 67 Cb 2.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.50 1kvj h ASP 67 CO 0.18 0.79 -0.28 -0.78 -1.72 0.00 0.00 179.24 177.43 1kvj h ASP 68 N 0.14 0.69 -0.17 6.45 3.58 -0.11 -3.05 116.42 123.95 1kvj h ASP 68 Ca -0.01 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1kvj h ASP 68 Cb 1.14 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1kvj h ASP 68 CO 0.09 0.94 0.04 -0.03 -2.88 0.00 0.00 179.24 177.40 1kvj h MET 69 N 0.58 0.28 0.00 0.28 4.05 -1.18 -3.48 114.93 115.46 1kvj h MET 69 Ca 0.07 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1kvj h MET 69 Cb 0.77 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 1kvj h MET 69 CO 0.06 0.43 0.00 0.41 0.23 0.00 0.00 176.91 178.04 1kvj n GLY 70 N -0.48 1.00 2.96 1.39 0.00 -0.86 -5.11 105.19 104.09 1kvj n GLY 70 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.44 0.38 -0.27 1.61 0.08 -1.17 -5.07 117.98 113.10 1kvj s PHE 71 Ca 0.00 -0.21 -0.32 0.00 0.12 0.00 0.00 56.93 56.52 1kvj s PHE 71 Cb 0.00 -0.24 -0.09 0.00 -0.57 0.00 0.00 43.02 42.12 1kvj s PHE 71 CO 0.00 -0.04 2.18 -0.25 -0.10 0.00 0.00 175.22 177.01 1kvj n ASP 72 N 2.49 2.71 -4.45 1.36 8.00 -1.13 -4.53 116.55 120.99 1kvj n ASP 72 Ca -0.16 0.36 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 1kvj n ASP 72 Cb 0.57 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.15 1kvj n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kvj s ALA 73 N 7.53 2.95 -0.44 2.24 0.00 -1.26 -2.06 121.76 130.71 1kvj s ALA 73 Ca 1.05 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1kvj s ALA 73 Cb -0.62 -1.59 0.17 0.00 0.00 0.00 0.00 23.12 21.07 1kvj s ALA 73 CO 0.43 0.05 0.35 0.08 0.00 0.00 0.00 175.76 176.67 1kvj s VAL 74 N 0.66 0.65 0.38 0.00 1.01 0.78 -4.94 120.40 118.94 1kvj s VAL 74 Ca -0.02 -2.80 -0.27 0.00 0.00 0.00 0.00 61.98 58.88 1kvj s VAL 74 Cb -0.14 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 34.67 1kvj s VAL 74 CO 0.02 -1.19 1.34 2.30 0.00 0.00 0.00 175.10 177.57 1kvj n ILE 75 N 2.80 2.18 -1.72 2.22 -5.35 -1.26 -1.13 119.36 117.10 1kvj n ILE 75 Ca 0.27 -0.50 -0.17 0.00 -0.27 0.00 0.00 62.75 62.09 1kvj n ILE 75 Cb 0.46 -1.68 0.10 0.00 -1.74 0.00 0.00 39.64 36.77 1kvj n ILE 75 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1kvj n HIS 76 N 0.19 2.06 -4.30 4.28 8.25 0.26 -4.82 115.22 121.14 1kvj n HIS 76 Ca 0.04 -2.10 -0.34 0.00 -0.26 0.00 0.00 57.72 55.06 1kvj n HIS 76 Cb 0.38 -0.54 -0.13 0.00 1.12 0.00 0.00 29.99 30.82 1kvj n HIS 76 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1kvj s ASN 77 N -3.01 4.54 0.00 0.41 2.47 -1.25 -4.83 114.94 113.27 1kvj s ASN 77 Ca 0.50 -0.24 0.29 0.00 0.42 0.00 0.00 52.86 53.83 1kvj s ASN 77 Cb 0.42 -1.75 1.26 0.00 -1.45 0.00 0.00 41.25 39.73 1kvj s ASN 77 CO 0.01 0.11 1.93 -0.81 -3.72 0.00 0.00 177.10 174.61 1kvj n PRO 78 N 3.95 0.06 0.00 0.43 -0.04 -1.26 -4.99 135.00 133.15 1kvj n PRO 78 Ca -0.18 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1kvj n PRO 78 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1kvj n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06