#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 3.46 0.27 7.83 8.00 -1.26 -4.83 116.55 130.02 1kvj n ASP 2 Ca 0.00 -3.36 0.17 0.00 0.71 0.00 0.00 54.79 52.31 1kvj n ASP 2 Cb 0.00 -0.69 0.65 0.00 -0.02 0.00 0.00 41.12 41.06 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 4.50 0.00 0.00 -0.24 0.13 -2.04 -3.38 132.00 130.97 1kvj h PRO 3 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1kvj h PRO 3 Cb 0.69 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1kvj h PRO 3 CO 0.79 0.00 -0.02 0.43 -0.23 0.00 0.00 178.00 178.98 1kvj n SER 4 N -3.07 -0.25 -0.31 1.44 7.64 -1.26 -5.01 113.62 112.80 1kvj n SER 4 Ca 0.01 -1.19 0.29 0.00 1.01 0.00 0.00 58.87 58.99 1kvj n SER 4 Cb 0.32 0.15 0.54 0.00 -1.01 0.00 0.00 64.21 64.20 1kvj n SER 4 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1kvj n MET 5 N -0.22 -0.06 -2.71 1.43 1.56 -1.26 -2.48 117.12 113.38 1kvj n MET 5 Ca -0.04 1.34 -0.07 0.00 -0.27 0.00 0.00 57.70 58.66 1kvj n MET 5 Cb 0.55 -2.37 0.04 0.00 2.15 0.00 0.00 33.22 33.59 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 -1.28 1.58 3.29 -5.12 0.00 -1.26 -5.11 105.19 97.29 1kvj n GLY 6 Ca 0.35 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1kvj n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kvj s VAL 7 N -2.96 0.00 0.19 1.61 -7.23 -1.04 -4.53 120.40 106.44 1kvj s VAL 7 Ca 0.26 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1kvj s VAL 7 Cb 0.42 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1kvj s VAL 7 CO 0.01 0.00 0.04 0.20 -0.31 0.00 0.00 175.10 175.03 1kvj s ASN 8 N -3.30 1.02 0.12 4.85 0.02 0.25 -4.87 114.94 113.02 1kvj s ASN 8 Ca 0.39 -1.23 0.08 0.00 -1.02 0.00 0.00 52.86 51.08 1kvj s ASN 8 Cb 0.03 0.17 -0.04 0.00 0.02 0.00 0.00 41.25 41.43 1kvj s ASN 8 CO 0.23 -0.64 -0.13 -0.55 0.02 0.00 0.00 177.10 176.03 1kvj s SER 9 N -3.18 4.18 -0.07 -1.22 0.15 -1.26 0.17 113.70 112.46 1kvj s SER 9 Ca 0.28 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 1kvj s SER 9 Cb 0.07 -0.71 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1kvj s SER 9 CO 0.06 0.17 0.17 -0.69 1.20 0.00 0.00 173.24 174.14 1kvj s VAL 10 N -1.27 -0.05 -0.22 4.45 1.01 0.23 -4.95 120.40 119.61 1kvj s VAL 10 Ca 0.21 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1kvj s VAL 10 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1kvj s VAL 10 CO 0.13 0.07 -0.00 -0.89 0.00 0.00 0.00 175.10 174.40 1kvj s THR 11 N 1.17 3.82 -0.22 3.92 2.01 -1.26 -0.29 115.64 124.80 1kvj s THR 11 Ca -0.09 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1kvj s THR 11 Cb -0.11 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1kvj s THR 11 CO -0.06 0.41 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.64 1kvj s ILE 12 N 1.27 3.76 0.17 1.82 1.01 0.36 -2.44 121.20 127.15 1kvj s ILE 12 Ca 0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1kvj s ILE 12 Cb -0.15 -2.72 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 1kvj s ILE 12 CO 0.01 0.41 1.29 -0.44 0.00 0.00 0.00 174.94 176.20 1kvj s SER 13 N 1.34 6.95 0.21 3.58 0.01 -0.90 0.77 113.70 125.67 1kvj s SER 13 Ca 0.04 2.31 0.07 0.00 1.31 0.00 0.00 55.95 59.68 1kvj s SER 13 Cb -0.15 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 1kvj s SER 13 CO 0.00 -0.51 -0.12 -0.69 0.41 0.00 0.00 173.24 172.33 1kvj s VAL 14 N 0.35 1.64 0.12 3.43 1.01 0.87 0.05 120.40 127.88 1kvj s VAL 14 Ca 0.57 -2.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 1kvj s VAL 14 Cb -0.35 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1kvj s VAL 14 CO 0.35 -0.55 0.54 -0.70 0.00 0.00 0.00 175.10 174.75 1kvj s GLU 15 N -3.68 1.18 -0.66 2.72 -6.30 -1.13 -4.45 118.70 106.37 1kvj s GLU 15 Ca 0.23 -0.46 0.00 0.00 -2.50 0.00 0.00 54.97 52.25 1kvj s GLU 15 Cb 0.01 0.54 0.00 0.00 0.00 0.00 0.00 34.13 34.67 1kvj s GLU 15 CO 0.07 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1kvj n GLY 16 N -0.15 0.80 0.92 -1.50 0.00 -1.26 -3.59 105.19 100.40 1kvj n GLY 16 Ca -0.17 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.15 1kvj n GLY 16 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1kvj n MET 17 N -2.70 0.87 -0.56 1.61 -0.00 -1.26 -4.91 117.12 110.18 1kvj n MET 17 Ca -0.06 -2.64 -0.06 0.00 -0.00 0.00 0.00 57.70 54.93 1kvj n MET 17 Cb 0.24 -0.92 -0.09 0.00 -0.00 0.00 0.00 33.22 32.46 1kvj n MET 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1kvj n THR 18 N -0.44 1.69 -3.62 3.17 -1.04 -1.26 -4.46 114.28 108.32 1kvj n THR 18 Ca 0.13 -0.82 -0.10 0.00 -2.04 0.00 0.00 64.05 61.22 1kvj n THR 18 Cb 0.87 -1.75 -0.10 0.00 -1.82 0.00 0.00 70.33 67.53 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 5.38 0.00 0.15 0.00 3.02 -1.26 0.13 115.26 122.68 1kvj n ASN 20 Ca -0.07 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.54 1kvj n ASN 20 Cb 0.50 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 40.00 1kvj n ASN 20 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kvj n SER 21 N -2.99 0.32 0.03 6.41 3.41 -1.26 -0.79 113.62 118.74 1kvj n SER 21 Ca 0.00 0.54 0.02 0.00 -0.26 0.00 0.00 58.87 59.17 1kvj n SER 21 Cb 0.00 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.92 0.00 0.00 3.04 -1.13 -2.33 116.25 116.75 1kvj h VAL 23 Ca -0.15 -2.65 -0.06 0.00 -1.01 0.00 0.00 66.70 62.82 1kvj h VAL 23 Cb 1.50 2.58 -0.01 0.00 -2.01 0.00 0.00 31.29 33.35 1kvj h VAL 23 CO 0.03 0.74 -0.43 -0.25 -1.01 0.00 0.00 177.57 176.65 1kvj h TRP 24 N 0.05 0.00 0.00 3.17 7.01 -1.53 -1.17 115.95 123.48 1kvj h TRP 24 Ca -0.30 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.57 1kvj h TRP 24 Cb 2.01 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.05 1kvj h TRP 24 CO 0.05 0.27 -1.12 0.00 -2.79 0.00 0.00 178.44 174.84 1kvj h THR 25 N 0.00 0.50 0.00 2.65 1.03 -1.61 -2.66 112.91 112.82 1kvj h THR 25 Ca -0.02 -1.88 -0.20 0.00 -0.01 0.00 0.00 66.41 64.30 1kvj h THR 25 Cb 1.22 2.04 -0.04 0.00 -1.07 0.00 0.00 68.15 70.31 1kvj h THR 25 CO 0.03 0.28 -1.68 -0.38 -0.01 0.00 0.00 175.52 173.77 1kvj n ILE 26 N -2.94 1.17 0.12 0.00 2.08 -0.87 -2.26 119.36 116.65 1kvj n ILE 26 Ca -0.05 -0.72 -0.23 0.00 0.56 0.00 0.00 62.75 62.31 1kvj n ILE 26 Cb 0.77 -0.66 -0.14 0.00 -0.75 0.00 0.00 39.64 38.85 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 0.58 -0.13 0.38 4.22 -1.34 -0.20 114.58 118.08 1kvj h GLU 27 Ca -0.23 -0.87 -0.13 0.00 0.08 0.00 0.00 59.36 58.20 1kvj h GLU 27 Cb 1.70 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1kvj h GLU 27 CO 0.04 1.41 -0.50 1.96 -2.18 0.00 0.00 179.01 179.74 1kvj h GLN 28 N 0.20 0.35 0.16 1.92 1.08 -1.61 0.97 115.11 118.18 1kvj h GLN 28 Ca -0.22 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 1kvj h GLN 28 Cb 2.02 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.47 1kvj h GLN 28 CO 0.25 0.77 -0.08 0.37 -0.95 0.00 0.00 178.83 179.20 1kvj h GLN 29 N 0.28 -0.21 0.05 1.46 5.75 -1.44 -2.86 115.11 118.13 1kvj h GLN 29 Ca 0.01 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1kvj h GLN 29 Cb 0.98 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.57 1kvj h GLN 29 CO 0.08 -0.14 -0.02 0.82 -2.65 0.00 0.00 178.83 176.92 1kvj h ILE 30 N -0.84 0.98 -0.84 2.39 2.04 -1.13 0.37 117.51 120.48 1kvj h ILE 30 Ca -0.02 -0.10 0.20 0.00 1.00 0.00 0.00 64.86 65.94 1kvj h ILE 30 Cb 0.17 1.05 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 1kvj h ILE 30 CO 0.04 0.02 0.28 1.23 0.00 0.00 0.00 178.15 179.72 1kvj h GLY 31 N -0.11 1.32 -2.32 5.37 0.00 -0.94 -0.83 103.07 105.55 1kvj h GLY 31 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1kvj h GLY 31 CO 0.01 -0.27 0.00 0.28 0.00 0.00 0.00 176.54 176.56 1kvj n LYS 32 N -5.13 3.52 -0.17 4.80 5.02 -1.04 -4.17 118.16 120.99 1kvj n LYS 32 Ca 0.19 -2.79 -0.10 0.00 -2.02 0.00 0.00 58.31 53.60 1kvj n LYS 32 Cb 0.60 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1kvj n LYS 32 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1kvj h VAL 33 N 2.89 1.26 0.00 -0.18 3.04 0.13 -3.47 116.25 119.92 1kvj h VAL 33 Ca 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 1kvj h VAL 33 Cb 1.43 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1kvj h VAL 33 CO 0.24 0.36 0.00 0.59 -1.01 0.00 0.00 177.57 177.75 1kvj n ASN 34 N -4.36 0.00 -3.27 3.17 5.03 -1.26 -5.06 115.26 109.51 1kvj n ASN 34 Ca 0.01 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.22 1kvj n ASN 34 Cb 0.29 0.14 -0.08 0.00 -1.02 0.00 0.00 39.78 39.11 1kvj n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kvj n GLY 35 N -1.11 2.24 3.27 7.41 0.00 -1.26 -5.05 105.19 110.69 1kvj n GLY 35 Ca 0.00 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.37 5.10 -0.33 1.61 1.01 -1.26 -3.02 120.40 123.15 1kvj s VAL 36 Ca 0.34 -2.47 0.20 0.00 0.00 0.00 0.00 61.98 60.04 1kvj s VAL 36 Cb 0.09 -4.20 0.20 0.00 0.00 0.00 0.00 36.38 32.48 1kvj s VAL 36 CO -0.16 -0.97 1.61 1.41 0.00 0.00 0.00 175.10 176.98 1kvj n HIS 37 N 4.01 0.67 -3.41 5.22 8.25 -1.14 -4.54 115.22 124.27 1kvj n HIS 37 Ca 0.09 0.33 0.01 0.00 -0.26 0.00 0.00 57.72 57.90 1kvj n HIS 37 Cb 0.44 -1.03 -0.04 0.00 1.12 0.00 0.00 29.99 30.47 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 -3.46 -0.60 -0.10 4.41 5.65 -1.26 -4.97 115.29 114.95 1kvj s HIS 38 Ca -0.01 1.06 0.03 0.00 0.25 0.00 0.00 55.06 56.39 1kvj s HIS 38 Cb 0.06 0.36 0.01 0.00 -1.18 0.00 0.00 32.58 31.83 1kvj s HIS 38 CO 0.21 -0.30 -0.21 -1.50 -0.65 0.00 0.00 174.74 172.29 1kvj s ILE 39 N 2.29 1.84 -0.33 0.89 -1.16 -1.26 -0.06 121.20 123.41 1kvj s ILE 39 Ca -0.03 -0.88 0.02 0.00 -0.51 0.00 0.00 60.65 59.25 1kvj s ILE 39 Cb -0.05 -1.61 0.10 0.00 0.61 0.00 0.00 42.46 41.50 1kvj s ILE 39 CO -0.17 0.51 0.07 -0.75 -2.81 0.00 0.00 174.94 171.79 1kvj s LYS 40 N 0.53 1.15 0.15 3.50 2.36 0.57 -4.94 119.74 123.07 1kvj s LYS 40 Ca -0.15 -1.54 0.05 0.00 -2.55 0.00 0.00 55.97 51.78 1kvj s LYS 40 Cb -0.17 -2.68 -0.04 0.00 -1.05 0.00 0.00 37.83 33.89 1kvj s LYS 40 CO 0.05 -0.96 0.08 0.54 1.55 0.00 0.00 175.35 176.61 1kvj s VAL 41 N 1.19 4.23 -0.35 4.02 0.11 -1.26 -0.04 120.40 128.31 1kvj s VAL 41 Ca 0.11 -1.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1kvj s VAL 41 Cb -0.18 -3.13 0.17 0.00 -1.53 0.00 0.00 36.38 31.70 1kvj s VAL 41 CO -0.15 -0.07 0.46 -0.55 -3.33 0.00 0.00 175.10 171.46 1kvj s SER 42 N -2.92 0.06 0.60 3.54 0.15 -0.59 -4.97 113.70 109.56 1kvj s SER 42 Ca 0.29 -0.85 0.28 0.00 0.70 0.00 0.00 55.95 56.37 1kvj s SER 42 Cb -0.10 1.19 1.22 0.00 -1.71 0.00 0.00 66.02 66.62 1kvj s SER 42 CO 0.21 -0.27 1.62 -0.07 1.20 0.00 0.00 173.24 175.93 1kvj h LEU 43 N 7.50 0.00 0.03 3.45 3.38 -1.86 0.99 115.31 128.80 1kvj h LEU 43 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1kvj h LEU 43 Cb 1.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1kvj h LEU 43 CO 0.20 0.00 -2.30 -1.84 0.09 0.00 0.00 178.44 174.58 1kvj n GLU 44 N -3.44 0.68 0.00 1.13 0.00 -1.26 -4.02 120.64 113.73 1kvj n GLU 44 Ca 0.14 0.17 0.11 0.00 0.00 0.00 0.00 57.16 57.58 1kvj n GLU 44 Cb 1.04 -1.58 0.59 0.00 0.00 0.00 0.00 31.44 31.49 1kvj n GLU 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1kvj n GLU 45 N -3.26 0.42 -3.07 3.44 2.13 -0.54 -4.88 120.64 114.88 1kvj n GLU 45 Ca -0.39 0.06 -0.22 0.00 0.66 0.00 0.00 57.16 57.26 1kvj n GLU 45 Cb 1.03 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 31.26 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 -1.21 -4.29 -3.79 5.31 4.01 0.23 -4.95 118.16 113.47 1kvj n LYS 46 Ca 0.12 0.78 -0.12 0.00 -0.51 0.00 0.00 58.31 58.58 1kvj n LYS 46 Cb 0.15 -5.59 -0.09 0.00 -0.51 0.00 0.00 35.03 28.99 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 -2.66 -0.10 -0.28 4.39 3.84 -1.23 -0.09 114.94 118.80 1kvj s ASN 47 Ca 0.31 -0.08 -0.01 0.00 0.21 0.00 0.00 52.86 53.29 1kvj s ASN 47 Cb -0.15 0.29 0.09 0.00 -0.55 0.00 0.00 41.25 40.93 1kvj s ASN 47 CO 0.38 -0.47 0.06 0.00 -2.79 0.00 0.00 177.10 174.28 1kvj s ALA 48 N -1.68 1.58 -0.08 1.71 0.00 0.23 -1.54 121.76 121.98 1kvj s ALA 48 Ca -0.12 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.38 1kvj s ALA 48 Cb -0.05 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1kvj s ALA 48 CO 0.02 -1.51 -0.18 -0.08 0.00 0.00 0.00 175.76 174.00 1kvj s THR 49 N 1.59 2.64 0.31 0.00 -1.32 0.95 0.14 115.64 119.94 1kvj s THR 49 Ca 0.06 -0.84 0.02 0.00 -1.21 0.00 0.00 61.69 59.71 1kvj s THR 49 Cb -0.18 -2.03 -0.01 0.00 -1.51 0.00 0.00 72.50 68.77 1kvj s THR 49 CO -0.18 0.56 0.36 2.30 -2.21 0.00 0.00 174.62 175.45 1kvj n ILE 50 N 2.97 0.00 -4.74 5.08 -6.64 0.61 0.21 119.36 116.85 1kvj n ILE 50 Ca -0.18 -1.86 -0.28 0.00 -1.77 0.00 0.00 62.75 58.66 1kvj n ILE 50 Cb 0.52 1.04 -0.14 0.00 -1.44 0.00 0.00 39.64 39.62 1kvj n ILE 50 CO 0.00 0.00 0.00 -0.51 -1.77 0.00 0.00 176.55 174.27 1kvj s ILE 51 N -2.97 2.00 0.18 7.28 -1.16 0.92 0.74 121.20 128.19 1kvj s ILE 51 Ca 0.30 -1.38 -0.11 0.00 -0.51 0.00 0.00 60.65 58.96 1kvj s ILE 51 Cb 0.00 -1.72 -0.00 0.00 0.61 0.00 0.00 42.46 41.35 1kvj s ILE 51 CO 0.22 0.27 0.34 -0.72 -2.81 0.00 0.00 174.94 172.24 1kvj s TYR 52 N -0.85 0.33 -0.53 3.50 1.13 0.44 -2.89 117.35 118.49 1kvj s TYR 52 Ca 0.10 -0.68 -0.25 0.00 -1.41 0.00 0.00 57.07 54.83 1kvj s TYR 52 Cb -0.10 0.03 0.03 0.00 -1.10 0.00 0.00 41.96 40.83 1kvj s TYR 52 CO 0.03 -0.78 1.00 0.34 -2.51 0.00 0.00 175.55 173.62 1kvj s ASP 53 N -2.96 6.41 0.00 -0.18 -1.08 -1.17 0.85 116.67 118.54 1kvj s ASP 53 Ca 0.17 -0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.32 1kvj s ASP 53 Cb 0.02 -2.47 0.98 0.00 -1.46 0.00 0.00 42.92 40.00 1kvj s ASP 53 CO 0.01 -1.23 1.71 -0.81 0.52 0.00 0.00 175.17 175.37 1kvj n PRO 54 N 7.60 0.07 0.05 4.34 -0.04 -1.24 0.83 135.00 146.59 1kvj n PRO 54 Ca 0.05 0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1kvj n PRO 54 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1kvj n PRO 54 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kvj h LYS 55 N 0.00 0.46 0.00 0.54 1.57 -1.89 -3.37 116.57 113.88 1kvj h LYS 55 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1kvj h LYS 55 Cb 0.34 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1kvj h LYS 55 CO 0.00 1.05 -0.67 1.47 -0.57 0.00 0.00 179.45 180.74 1kvj n LEU 56 N -3.82 0.00 0.00 2.94 -0.00 -1.15 -5.09 117.00 109.88 1kvj n LEU 56 Ca -0.05 -0.13 -0.24 0.00 -0.00 0.00 0.00 56.01 55.58 1kvj n LEU 56 Cb 0.75 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.10 1kvj n LEU 56 CO 0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 177.39 177.73 1kvj n GLN 57 N -1.26 0.56 -3.81 1.47 1.13 0.24 -5.08 117.38 110.63 1kvj n GLN 57 Ca 0.00 -3.39 -0.05 0.00 -1.94 0.00 0.00 57.00 51.62 1kvj n GLN 57 Cb 0.00 1.94 -0.00 0.00 0.11 0.00 0.00 30.24 32.28 1kvj n GLN 57 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1kvj s THR 58 N -3.09 0.00 -2.00 5.09 -1.32 -1.26 -3.69 115.64 109.37 1kvj s THR 58 Ca 0.22 -0.79 0.01 0.00 -1.21 0.00 0.00 61.69 59.92 1kvj s THR 58 Cb 0.01 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 1kvj s THR 58 CO 0.16 0.00 0.24 -0.81 -2.21 0.00 0.00 174.62 172.00 1kvj n PRO 59 N -0.53 0.14 -0.00 7.08 -0.04 -1.26 -1.79 135.00 138.60 1kvj n PRO 59 Ca -0.05 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1kvj n PRO 59 Cb 0.60 -1.08 -0.12 0.00 -0.04 0.00 0.00 33.50 32.86 1kvj n PRO 59 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1kvj n LYS 60 N -0.58 0.63 0.05 0.54 -0.00 -1.26 -2.71 118.16 114.82 1kvj n LYS 60 Ca 0.01 0.25 -0.03 0.00 -0.00 0.00 0.00 58.31 58.53 1kvj n LYS 60 Cb 0.00 -1.79 -0.09 0.00 -0.00 0.00 0.00 35.03 33.16 1kvj n LYS 60 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1kvj h THR 61 N 0.00 0.94 0.00 0.58 2.02 -1.76 -0.72 112.91 113.97 1kvj h THR 61 Ca -0.25 -2.55 -0.10 0.00 0.77 0.00 0.00 66.41 64.29 1kvj h THR 61 Cb 1.85 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 70.64 1kvj h THR 61 CO 0.06 0.53 -0.46 -0.07 0.37 0.00 0.00 175.52 175.95 1kvj h LEU 62 N 0.00 0.00 0.00 2.58 4.07 -1.67 0.97 115.31 121.26 1kvj h LEU 62 Ca -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1kvj h LEU 62 Cb 1.70 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.44 1kvj h LEU 62 CO 0.08 0.46 -0.68 -0.61 -1.08 0.00 0.00 178.44 176.61 1kvj h GLN 63 N 0.00 0.00 0.00 1.13 5.75 -1.46 -2.39 115.11 118.13 1kvj h GLN 63 Ca -0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1kvj h GLN 63 Cb 0.96 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 1kvj h GLN 63 CO 0.06 0.01 -1.27 -1.91 -2.65 0.00 0.00 178.83 173.08 1kvj n GLU 64 N -2.83 0.62 0.05 1.69 2.13 -0.28 -1.77 120.64 120.25 1kvj n GLU 64 Ca 0.01 0.12 -0.03 0.00 0.66 0.00 0.00 57.16 57.92 1kvj n GLU 64 Cb 0.55 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 30.40 1kvj n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kvj h ALA 65 N 1.78 0.61 0.05 4.31 0.00 0.91 0.60 119.26 127.53 1kvj h ALA 65 Ca -0.07 -0.92 -0.28 0.00 0.00 0.00 0.00 54.91 53.64 1kvj h ALA 65 Cb 1.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1kvj h ALA 65 CO 0.02 1.09 -1.46 0.97 0.00 0.00 0.00 179.25 179.86 1kvj h ILE 66 N 0.00 1.19 -0.02 0.00 6.09 -1.53 -2.37 117.51 120.86 1kvj h ILE 66 Ca -0.12 -2.91 -0.17 0.00 -1.37 0.00 0.00 64.86 60.29 1kvj h ILE 66 Cb 1.69 2.67 -0.01 0.00 0.47 0.00 0.00 36.82 41.63 1kvj h ILE 66 CO 0.08 0.76 -0.76 -0.78 -3.07 0.00 0.00 178.15 174.39 1kvj h ASP 67 N 0.03 0.22 -0.23 2.19 3.58 -1.40 -2.85 116.42 117.96 1kvj h ASP 67 Ca -0.20 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 56.98 1kvj h ASP 67 Cb 1.95 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.94 1kvj h ASP 67 CO 0.13 0.89 -0.31 -0.78 -2.88 0.00 0.00 179.24 176.29 1kvj h ASP 68 N 0.11 0.66 -0.34 2.28 3.58 -0.91 -3.21 116.42 118.60 1kvj h ASP 68 Ca -0.02 -0.51 0.01 0.00 0.42 0.00 0.00 57.03 56.92 1kvj h ASP 68 Cb 1.33 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1kvj h ASP 68 CO 0.11 1.04 0.22 0.24 -2.88 0.00 0.00 179.24 177.97 1kvj h MET 69 N 0.30 0.43 0.00 0.28 2.86 -1.41 -3.47 114.93 113.93 1kvj h MET 69 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1kvj h MET 69 Cb 0.88 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1kvj h MET 69 CO 0.07 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.74 1kvj n GLY 70 N -1.19 0.81 2.79 8.32 0.00 -1.08 -5.11 105.19 109.73 1kvj n GLY 70 Ca -0.01 -0.12 -0.16 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 -0.31 0.12 -0.34 1.61 0.08 -1.18 -5.03 117.98 112.93 1kvj s PHE 71 Ca 0.00 0.09 -0.36 0.00 0.12 0.00 0.00 56.93 56.77 1kvj s PHE 71 Cb 0.00 -0.29 -0.12 0.00 -0.57 0.00 0.00 43.02 42.04 1kvj s PHE 71 CO 0.00 -0.10 2.13 -0.25 -0.10 0.00 0.00 175.22 176.90 1kvj n ASP 72 N 4.15 2.08 -4.45 1.36 9.92 -1.24 -4.64 116.55 123.74 1kvj n ASP 72 Ca -0.27 0.52 -0.34 0.00 -0.53 0.00 0.00 54.79 54.16 1kvj n ASP 72 Cb 0.50 -1.22 -0.13 0.00 -0.64 0.00 0.00 41.12 39.63 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 6.73 2.95 -0.52 2.24 0.00 -1.26 -2.85 121.76 129.05 1kvj s ALA 73 Ca 1.09 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.19 1kvj s ALA 73 Cb -0.93 -1.60 0.20 0.00 0.00 0.00 0.00 23.12 20.79 1kvj s ALA 73 CO 0.52 0.04 0.48 0.28 0.00 0.00 0.00 175.76 177.08 1kvj n VAL 74 N 3.88 0.19 -1.75 0.00 0.31 0.11 -4.91 118.33 116.17 1kvj n VAL 74 Ca -0.17 -4.20 -0.42 0.00 -0.01 0.00 0.00 64.34 59.53 1kvj n VAL 74 Cb 0.52 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 1kvj n VAL 74 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1kvj n ILE 75 N 2.00 1.68 -2.50 2.52 -5.35 -1.26 -2.11 119.36 114.33 1kvj n ILE 75 Ca 0.25 -0.42 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 1kvj n ILE 75 Cb 0.45 -1.87 0.03 0.00 -1.74 0.00 0.00 39.64 36.50 1kvj n ILE 75 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kvj n HIS 76 N 0.96 2.13 -0.01 4.28 1.44 -1.02 -4.78 115.22 118.23 1kvj n HIS 76 Ca 0.04 -2.57 -0.02 0.00 -2.01 0.00 0.00 57.72 53.17 1kvj n HIS 76 Cb 0.37 -0.26 -0.01 0.00 0.12 0.00 0.00 29.99 30.22 1kvj n HIS 76 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1kvj n ASN 77 N -0.46 0.58 0.13 4.39 4.13 -1.26 -4.76 115.26 118.02 1kvj n ASN 77 Ca 0.25 0.09 -0.01 0.00 1.68 0.00 0.00 54.58 56.59 1kvj n ASN 77 Cb 0.81 -0.36 0.12 0.00 -1.54 0.00 0.00 39.78 38.81 1kvj n ASN 77 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1kvj h PRO 78 N -0.19 0.00 -0.00 3.52 0.13 -1.94 -3.51 132.00 130.00 1kvj h PRO 78 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1kvj h PRO 78 Cb 0.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1kvj h PRO 78 CO 0.00 0.64 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16