#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvi n ASP 2 N 0.00 -0.04 0.00 6.12 5.68 -1.26 -4.90 116.55 122.16 1kvi n ASP 2 Ca 0.00 -2.89 0.10 0.00 -0.50 0.00 0.00 54.79 51.50 1kvi n ASP 2 Cb 0.00 0.17 0.57 0.00 -1.14 0.00 0.00 41.12 40.71 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1kvi n PRO 3 N -0.02 0.48 -3.01 0.11 -0.04 -1.26 -3.90 135.00 127.36 1kvi n PRO 3 Ca 0.10 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.44 1kvi n PRO 3 Cb 0.77 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1kvi n PRO 3 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kvi n SER 4 N -1.14 -1.15 -3.05 3.54 7.64 -1.26 -5.01 113.62 113.19 1kvi n SER 4 Ca 0.13 -2.94 -0.13 0.00 1.01 0.00 0.00 58.87 56.94 1kvi n SER 4 Cb 0.11 0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1kvi n SER 4 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1kvi n MET 5 N 1.57 1.29 -1.22 1.43 0.00 -1.25 -4.06 117.12 114.87 1kvi n MET 5 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 57.70 56.81 1kvi n MET 5 Cb 0.57 -2.24 0.00 0.00 0.00 0.00 0.00 33.22 31.55 1kvi n MET 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kvi n GLY 6 N 3.77 -0.13 3.75 3.17 0.00 -1.26 -5.05 105.19 109.44 1kvi n GLY 6 Ca 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1kvi n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kvi s VAL 7 N -2.59 0.00 0.17 1.61 0.11 -1.26 -4.43 120.40 114.02 1kvi s VAL 7 Ca 0.00 -0.62 -0.17 0.00 -2.93 0.00 0.00 61.98 58.26 1kvi s VAL 7 Cb 0.00 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.80 1kvi s VAL 7 CO 0.00 0.00 0.49 0.20 -3.33 0.00 0.00 175.10 172.46 1kvi s ASN 8 N -2.99 -0.27 0.28 3.54 -0.87 -0.96 -4.98 114.94 108.69 1kvi s ASN 8 Ca 0.13 -0.42 0.07 0.00 -1.57 0.00 0.00 52.86 51.07 1kvi s ASN 8 Cb -0.01 0.55 -0.03 0.00 -0.02 0.00 0.00 41.25 41.74 1kvi s ASN 8 CO 0.02 -0.99 0.28 -0.94 -2.57 0.00 0.00 177.10 172.90 1kvi s SER 9 N -2.85 5.68 -0.18 -1.22 1.04 -1.26 -1.37 113.70 113.53 1kvi s SER 9 Ca 0.07 -0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1kvi s SER 9 Cb -0.00 -1.39 0.07 0.00 0.10 0.00 0.00 66.02 64.80 1kvi s SER 9 CO -0.06 -0.15 0.42 -0.69 0.98 0.00 0.00 173.24 173.74 1kvi s VAL 10 N -2.14 -0.25 0.30 5.02 1.01 0.74 -4.95 120.40 120.12 1kvi s VAL 10 Ca 0.36 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.56 1kvi s VAL 10 Cb -0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1kvi s VAL 10 CO 0.27 0.05 -0.06 0.42 0.00 0.00 0.00 175.10 175.78 1kvi s THR 11 N 1.85 2.88 0.14 3.92 -4.23 -1.26 -2.26 115.64 116.68 1kvi s THR 11 Ca -0.07 -2.09 -0.12 0.00 -1.18 0.00 0.00 61.69 58.24 1kvi s THR 11 Cb -0.10 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1kvi s THR 11 CO -0.13 -0.32 0.33 0.27 -0.54 0.00 0.00 174.62 174.23 1kvi s ILE 12 N -2.45 0.08 -0.21 2.99 -0.00 -0.93 -0.15 121.20 120.53 1kvi s ILE 12 Ca 0.32 -1.03 -0.13 0.00 -0.00 0.00 0.00 60.65 59.81 1kvi s ILE 12 Cb -0.04 -1.51 -0.05 0.00 -0.00 0.00 0.00 42.46 40.87 1kvi s ILE 12 CO 0.18 -0.36 0.25 -0.44 -0.00 0.00 0.00 174.94 174.57 1kvi s SER 13 N -2.88 6.27 -0.11 4.36 0.01 -0.05 -1.12 113.70 120.18 1kvi s SER 13 Ca 0.09 0.31 -0.00 0.00 1.31 0.00 0.00 55.95 57.65 1kvi s SER 13 Cb 0.03 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1kvi s SER 13 CO -0.06 0.04 -0.09 -0.69 0.41 0.00 0.00 173.24 172.85 1kvi s VAL 14 N 0.98 3.49 0.00 3.43 1.01 -0.69 -2.05 120.40 126.57 1kvi s VAL 14 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1kvi s VAL 14 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1kvi s VAL 14 CO 0.05 0.55 0.00 1.21 0.00 0.00 0.00 175.10 176.90 1kvi n GLU 15 N 2.99 0.00 -0.21 2.72 0.00 -1.21 -4.38 120.64 120.56 1kvi n GLU 15 Ca -0.18 0.00 0.28 0.00 0.00 0.00 0.00 57.16 57.26 1kvi n GLU 15 Cb 0.53 -0.33 0.70 0.00 0.00 0.00 0.00 31.44 32.33 1kvi n GLU 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1kvi h GLY 16 N 0.00 0.15 -0.54 8.31 0.00 -1.92 -3.41 103.07 105.66 1kvi h GLY 16 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1kvi h GLY 16 CO 0.00 -0.01 -0.06 1.15 0.00 0.00 0.00 176.54 177.62 1kvi n MET 17 N -4.30 -1.60 0.00 4.80 0.00 -1.26 -4.84 117.12 109.92 1kvi n MET 17 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 57.70 57.37 1kvi n MET 17 Cb 0.96 -0.89 0.00 0.00 0.00 0.00 0.00 33.22 33.29 1kvi n MET 17 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1kvi n THR 18 N -3.87 0.00 0.00 3.17 5.66 -1.26 -5.08 114.28 112.90 1kvi n THR 18 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1kvi n THR 18 Cb 0.22 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1kvi n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kvi n ASN 20 N 0.00 1.94 0.28 0.00 3.02 -1.26 -4.33 115.26 114.91 1kvi n ASN 20 Ca 0.00 0.34 0.09 0.00 -0.03 0.00 0.00 54.58 54.98 1kvi n ASN 20 Cb 0.00 -0.76 0.38 0.00 -0.61 0.00 0.00 39.78 38.79 1kvi n ASN 20 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1kvi h SER 21 N -1.00 0.00 0.00 6.41 0.02 -1.98 -2.26 113.55 114.74 1kvi h SER 21 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1kvi h SER 21 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1kvi h SER 21 CO -0.12 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1kvi h VAL 23 N 0.00 1.31 -0.54 0.00 3.04 -1.80 -2.78 116.25 115.47 1kvi h VAL 23 Ca 0.00 -1.70 -0.04 0.00 -1.01 0.00 0.00 66.70 63.95 1kvi h VAL 23 Cb 0.00 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 1kvi h VAL 23 CO 0.00 0.54 0.19 -0.50 -1.01 0.00 0.00 177.57 176.78 1kvi h TRP 24 N 0.48 0.85 -0.58 3.17 6.55 -1.57 1.51 115.95 126.35 1kvi h TRP 24 Ca 0.02 -0.08 -0.08 0.00 0.95 0.00 0.00 58.89 59.70 1kvi h TRP 24 Cb 1.03 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 29.06 1kvi h TRP 24 CO 0.05 0.71 0.03 1.15 -1.05 0.00 0.00 178.44 179.33 1kvi h THR 25 N 0.74 1.26 -0.07 1.49 2.02 -1.41 0.36 112.91 117.30 1kvi h THR 25 Ca 0.18 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 1kvi h THR 25 Cb 0.25 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1kvi h THR 25 CO -0.01 0.39 -0.03 0.40 0.37 0.00 0.00 175.52 176.64 1kvi h ILE 26 N 0.91 1.32 -0.11 3.11 2.04 -1.13 -2.59 117.51 121.07 1kvi h ILE 26 Ca 0.17 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1kvi h ILE 26 Cb 0.49 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1kvi h ILE 26 CO 0.02 0.28 0.10 -0.33 0.00 0.00 0.00 178.15 178.22 1kvi h GLU 27 N -0.24 0.00 0.26 2.37 5.08 0.23 -0.50 114.58 121.78 1kvi h GLU 27 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1kvi h GLU 27 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1kvi h GLU 27 CO 0.01 0.00 -0.12 0.37 -1.00 0.00 0.00 179.01 178.27 1kvi h GLN 28 N 0.00 -0.33 -0.08 2.33 5.75 -0.55 -1.22 115.11 121.01 1kvi h GLN 28 Ca 0.05 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1kvi h GLN 28 Cb 0.25 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 1kvi h GLN 28 CO -0.00 0.01 0.02 0.37 -2.65 0.00 0.00 178.83 176.58 1kvi h GLN 29 N -0.74 0.13 -0.98 1.69 4.15 -1.12 -1.46 115.11 116.78 1kvi h GLN 29 Ca -0.04 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.52 1kvi h GLN 29 Cb 0.49 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.08 1kvi h GLN 29 CO 0.06 0.29 0.61 0.82 -1.93 0.00 0.00 178.83 178.68 1kvi h ILE 30 N -0.06 0.78 0.00 2.39 2.04 -1.16 2.03 117.51 123.53 1kvi h ILE 30 Ca 0.03 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1kvi h ILE 30 Cb 0.22 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1kvi h ILE 30 CO -0.00 0.14 -0.36 1.23 0.00 0.00 0.00 178.15 179.16 1kvi h GLY 31 N 0.78 0.00 -2.18 5.37 0.00 -0.82 -2.40 103.07 103.81 1kvi h GLY 31 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1kvi h GLY 31 CO -0.30 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.41 1kvi n LYS 32 N -3.70 2.44 0.01 4.80 4.81 0.27 -4.21 118.16 122.57 1kvi n LYS 32 Ca -0.01 -2.24 -0.01 0.00 -0.87 0.00 0.00 58.31 55.18 1kvi n LYS 32 Cb 0.45 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 1kvi n LYS 32 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1kvi h VAL 33 N 4.15 0.00 0.00 3.15 2.07 0.34 -3.47 116.25 122.48 1kvi h VAL 33 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kvi h VAL 33 Cb 0.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1kvi h VAL 33 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 1kvi n ASN 34 N -2.59 0.00 -3.53 0.57 4.13 -1.26 -5.00 115.26 107.57 1kvi n ASN 34 Ca -0.01 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.88 1kvi n ASN 34 Cb 0.03 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.26 1kvi n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kvi n GLY 35 N 0.00 5.75 3.61 7.41 0.00 -1.26 -4.97 105.19 115.73 1kvi n GLY 35 Ca 0.00 -2.66 -0.41 0.00 0.00 0.00 0.00 46.02 42.95 1kvi n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvi s VAL 36 N -3.94 4.92 0.00 1.61 1.01 -1.26 0.27 120.40 123.01 1kvi s VAL 36 Ca 0.40 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1kvi s VAL 36 Cb 0.18 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1kvi s VAL 36 CO -0.08 -0.10 0.52 1.41 0.00 0.00 0.00 175.10 176.85 1kvi n HIS 37 N 5.89 0.00 -4.52 5.22 8.25 -1.23 -4.92 115.22 123.91 1kvi n HIS 37 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1kvi n HIS 37 Cb 0.49 -0.24 -0.10 0.00 1.12 0.00 0.00 29.99 31.26 1kvi n HIS 37 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1kvi s HIS 38 N -1.51 2.31 -0.16 4.41 3.76 -1.26 -4.96 115.29 117.87 1kvi s HIS 38 Ca 0.00 -0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 54.17 1kvi s HIS 38 Cb 0.00 -1.32 0.05 0.00 1.11 0.00 0.00 32.58 32.42 1kvi s HIS 38 CO 0.00 0.52 0.53 -1.50 -0.85 0.00 0.00 174.74 173.45 1kvi s ILE 39 N -2.69 0.01 -0.24 0.60 2.07 -1.26 -2.27 121.20 117.42 1kvi s ILE 39 Ca 0.32 -0.06 -0.27 0.00 -1.41 0.00 0.00 60.65 59.24 1kvi s ILE 39 Cb 0.03 -0.77 0.11 0.00 0.13 0.00 0.00 42.46 41.96 1kvi s ILE 39 CO 0.15 -0.03 0.96 -0.75 -1.91 0.00 0.00 174.94 173.36 1kvi s LYS 40 N -0.10 0.60 -0.01 3.50 2.20 -0.05 -4.98 119.74 120.91 1kvi s LYS 40 Ca -0.03 0.53 0.07 0.00 -0.36 0.00 0.00 55.97 56.18 1kvi s LYS 40 Cb -0.03 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 1kvi s LYS 40 CO 0.02 -0.11 -0.22 0.54 -0.36 0.00 0.00 175.35 175.22 1kvi s VAL 41 N -0.14 1.74 0.28 4.02 0.11 -1.26 -0.08 120.40 125.07 1kvi s VAL 41 Ca 0.01 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1kvi s VAL 41 Cb -0.04 -1.45 -0.06 0.00 -1.53 0.00 0.00 36.38 33.30 1kvi s VAL 41 CO -0.02 0.46 0.03 -0.55 -3.33 0.00 0.00 175.10 171.69 1kvi s SER 42 N -0.59 2.09 -0.09 3.54 0.15 -0.95 -5.00 113.70 112.84 1kvi s SER 42 Ca 0.08 -1.31 0.09 0.00 0.70 0.00 0.00 55.95 55.51 1kvi s SER 42 Cb -0.09 -0.03 -0.13 0.00 -1.71 0.00 0.00 66.02 64.07 1kvi s SER 42 CO -0.01 -0.57 0.06 0.18 1.20 0.00 0.00 173.24 174.10 1kvi n LEU 43 N -0.57 0.00 0.18 3.45 4.77 -1.26 -2.99 117.00 120.58 1kvi n LEU 43 Ca -0.03 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.11 1kvi n LEU 43 Cb 0.65 0.22 0.61 0.00 -2.33 0.00 0.00 43.42 42.58 1kvi n LEU 43 CO 0.40 0.22 1.14 -0.08 -1.33 0.00 0.00 177.39 177.74 1kvi h GLU 44 N 0.00 0.00 0.00 3.23 4.57 -1.97 -0.87 114.58 119.54 1kvi h GLU 44 Ca -0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1kvi h GLU 44 Cb 1.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1kvi h GLU 44 CO 0.01 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.23 1kvi n GLU 45 N -3.13 0.64 -3.45 1.92 1.02 -1.26 -5.06 120.64 111.32 1kvi n GLU 45 Ca 0.05 -0.67 -0.21 0.00 -0.02 0.00 0.00 57.16 56.31 1kvi n GLU 45 Cb 0.72 -0.64 0.01 0.00 -0.02 0.00 0.00 31.44 31.51 1kvi n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kvi n LYS 46 N -0.12 -1.72 -1.73 3.49 5.02 -0.33 -4.84 118.16 117.93 1kvi n LYS 46 Ca 0.00 1.27 -0.00 0.00 -2.02 0.00 0.00 58.31 57.56 1kvi n LYS 46 Cb 0.38 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 1kvi n LYS 46 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1kvi n ASN 47 N -1.49 -0.14 -3.67 4.39 0.23 -1.16 -1.71 115.26 111.70 1kvi n ASN 47 Ca -0.14 -1.07 -0.14 0.00 -0.53 0.00 0.00 54.58 52.71 1kvi n ASN 47 Cb 0.62 0.23 -0.08 0.00 -2.08 0.00 0.00 39.78 38.47 1kvi n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kvi s ALA 48 N -1.09 -1.41 -0.16 -2.53 0.00 -0.28 -2.24 121.76 114.06 1kvi s ALA 48 Ca 0.02 1.52 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 1kvi s ALA 48 Cb -0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1kvi s ALA 48 CO 0.00 -0.28 -0.07 0.99 0.00 0.00 0.00 175.76 176.41 1kvi s THR 49 N 0.08 3.56 -0.06 0.00 2.01 0.88 -2.18 115.64 119.94 1kvi s THR 49 Ca -0.02 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1kvi s THR 49 Cb -0.04 -2.55 0.04 0.00 0.01 0.00 0.00 72.50 69.96 1kvi s THR 49 CO 0.02 0.49 0.44 -0.51 -0.69 0.00 0.00 174.62 174.37 1kvi s ILE 50 N 0.54 0.03 0.44 1.82 -1.16 -0.96 -0.87 121.20 121.03 1kvi s ILE 50 Ca -0.05 -0.25 0.07 0.00 -0.51 0.00 0.00 60.65 59.91 1kvi s ILE 50 Cb -0.15 -0.72 -0.03 0.00 0.61 0.00 0.00 42.46 42.16 1kvi s ILE 50 CO 0.03 -0.14 0.22 -0.63 -2.81 0.00 0.00 174.94 171.61 1kvi s ILE 51 N -0.95 2.15 -0.25 2.00 1.01 -0.96 -0.19 121.20 124.01 1kvi s ILE 51 Ca -0.10 -1.66 -0.13 0.00 0.00 0.00 0.00 60.65 58.76 1kvi s ILE 51 Cb -0.03 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.71 1kvi s ILE 51 CO 0.05 0.00 0.60 -0.72 0.00 0.00 0.00 174.94 174.86 1kvi s TYR 52 N -2.64 -0.98 -0.35 3.97 1.13 -0.47 -3.53 117.35 114.48 1kvi s TYR 52 Ca 0.38 1.92 0.16 0.00 -1.41 0.00 0.00 57.07 58.12 1kvi s TYR 52 Cb 0.02 0.55 0.60 0.00 -1.10 0.00 0.00 41.96 42.04 1kvi s TYR 52 CO 0.21 -0.50 1.51 -0.40 -2.51 0.00 0.00 175.55 173.86 1kvi n ASP 53 N 4.57 4.36 -3.53 -0.18 5.68 0.76 -2.27 116.55 125.94 1kvi n ASP 53 Ca -0.19 -2.85 -0.40 0.00 -0.50 0.00 0.00 54.79 50.85 1kvi n ASP 53 Cb 0.56 -0.56 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1kvi n ASP 53 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1kvi n PRO 54 N 0.03 3.18 -0.42 0.11 -0.04 -1.26 -4.69 135.00 131.91 1kvi n PRO 54 Ca 0.23 -2.39 0.38 0.00 -0.04 0.00 0.00 63.50 61.68 1kvi n PRO 54 Cb 0.93 -3.05 0.59 0.00 -0.04 0.00 0.00 33.50 31.93 1kvi n PRO 54 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kvi h LYS 55 N 5.61 0.00 -0.14 0.54 1.57 -1.86 1.95 116.57 124.24 1kvi h LYS 55 Ca 0.70 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.52 1kvi h LYS 55 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1kvi h LYS 55 CO 1.84 0.00 0.33 1.37 -0.57 0.00 0.00 179.45 182.42 1kvi h LEU 56 N 0.00 0.00 -8.23 2.94 8.10 -1.97 -3.43 115.31 112.72 1kvi h LEU 56 Ca 0.67 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 58.54 1kvi h LEU 56 Cb 3.28 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 43.46 1kvi h LEU 56 CO -0.01 0.00 0.07 -1.10 -4.11 0.00 0.00 178.44 173.29 1kvi s GLN 57 N -4.31 2.07 0.06 0.17 -1.52 0.66 -5.09 119.66 111.70 1kvi s GLN 57 Ca -0.04 -1.55 0.00 0.00 -1.95 0.00 0.00 55.36 51.82 1kvi s GLN 57 Cb 0.12 0.55 0.00 0.00 -0.22 0.00 0.00 33.01 33.45 1kvi s GLN 57 CO 0.39 -0.92 0.00 2.41 -0.25 0.00 0.00 175.29 176.92 1kvi n THR 58 N -0.54 0.00 -0.03 -0.19 -1.04 -1.26 -4.62 114.28 106.60 1kvi n THR 58 Ca -0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.83 1kvi n THR 58 Cb 0.61 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.01 1kvi n THR 58 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1kvi h PRO 59 N 0.00 0.08 -0.13 -2.82 0.13 -1.98 -2.59 132.00 124.68 1kvi h PRO 59 Ca 0.00 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 1kvi h PRO 59 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1kvi h PRO 59 CO 0.00 0.71 -0.34 -0.22 -0.23 0.00 0.00 178.00 177.92 1kvi h LYS 60 N -0.54 0.27 0.47 0.86 1.63 -1.97 -1.05 116.57 116.24 1kvi h LYS 60 Ca -0.00 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1kvi h LYS 60 Cb 0.72 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1kvi h LYS 60 CO 0.01 0.58 -0.23 1.15 -3.45 0.00 0.00 179.45 177.51 1kvi h THR 61 N 0.23 0.22 -0.47 1.00 2.02 -1.91 0.45 112.91 114.45 1kvi h THR 61 Ca 0.03 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.73 1kvi h THR 61 Cb 0.71 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1kvi h THR 61 CO 0.05 0.04 0.17 -0.07 0.37 0.00 0.00 175.52 176.09 1kvi h LEU 62 N -1.08 0.18 -0.82 2.58 4.07 -1.49 1.52 115.31 120.27 1kvi h LEU 62 Ca -0.06 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1kvi h LEU 62 Cb 0.56 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.30 1kvi h LEU 62 CO 0.11 0.13 0.48 -0.61 -1.08 0.00 0.00 178.44 177.47 1kvi h GLN 63 N 0.34 1.13 -0.45 1.13 5.75 -1.20 -2.03 115.11 119.78 1kvi h GLN 63 Ca 0.22 -0.11 -0.14 0.00 -0.15 0.00 0.00 58.65 58.47 1kvi h GLN 63 Cb 0.23 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1kvi h GLN 63 CO -0.23 0.81 -0.27 1.49 -2.65 0.00 0.00 178.83 177.99 1kvi h GLU 64 N 1.13 0.96 -0.52 1.69 4.81 0.16 -2.54 114.58 120.27 1kvi h GLU 64 Ca 0.29 -0.44 0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1kvi h GLU 64 Cb -0.01 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.24 1kvi h GLU 64 CO -0.05 1.10 -0.24 0.00 -0.73 0.00 0.00 179.01 179.09 1kvi h ALA 65 N 0.87 0.13 0.42 2.92 0.00 0.28 1.95 119.26 125.83 1kvi h ALA 65 Ca 0.09 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1kvi h ALA 65 Cb 0.85 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1kvi h ALA 65 CO 0.07 -0.57 -0.20 0.82 0.00 0.00 0.00 179.25 179.37 1kvi h ILE 66 N -0.11 0.54 -0.10 0.00 1.08 -1.41 -1.14 117.51 116.36 1kvi h ILE 66 Ca 0.24 -0.40 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1kvi h ILE 66 Cb 0.49 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1kvi h ILE 66 CO -0.59 0.07 0.15 -0.78 -0.69 0.00 0.00 178.15 176.30 1kvi h ASP 67 N -0.82 0.00 0.09 1.72 1.82 -0.95 0.30 116.42 118.59 1kvi h ASP 67 Ca -0.06 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.33 1kvi h ASP 67 Cb 0.55 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.57 1kvi h ASP 67 CO 0.10 0.00 -1.02 -0.78 -1.61 0.00 0.00 179.24 175.93 1kvi h ASP 68 N 0.00 0.81 0.00 2.28 1.82 0.36 -3.38 116.42 118.31 1kvi h ASP 68 Ca 0.05 -0.65 0.00 0.00 -0.39 0.00 0.00 57.03 56.04 1kvi h ASP 68 Cb 0.34 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1kvi h ASP 68 CO -0.00 1.45 -0.04 0.24 -1.61 0.00 0.00 179.24 179.28 1kvi h MET 69 N 0.35 0.00 0.00 0.28 2.86 0.17 -3.50 114.93 115.09 1kvi h MET 69 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1kvi h MET 69 Cb 1.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1kvi h MET 69 CO 0.19 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.57 1kvi n GLY 70 N 1.87 0.99 3.34 8.32 0.00 -0.08 -5.10 105.19 114.52 1kvi n GLY 70 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1kvi n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kvi s PHE 71 N -1.75 2.33 -0.73 1.61 0.08 -1.26 -5.02 117.98 113.23 1kvi s PHE 71 Ca 0.00 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.38 1kvi s PHE 71 Cb 0.00 -1.42 -0.21 0.00 -0.57 0.00 0.00 43.02 40.81 1kvi s PHE 71 CO 0.00 0.09 1.88 -3.47 -0.10 0.00 0.00 175.22 173.61 1kvi n ASP 72 N 1.94 2.04 -4.44 1.36 -0.08 -1.26 -4.86 116.55 111.24 1kvi n ASP 72 Ca -0.17 -2.60 -0.30 0.00 -1.51 0.00 0.00 54.79 50.22 1kvi n ASP 72 Cb 0.52 -1.23 -0.12 0.00 2.34 0.00 0.00 41.12 42.63 1kvi n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kvi s ALA 73 N 9.39 2.55 -0.09 -1.67 0.00 -1.26 -3.30 121.76 127.37 1kvi s ALA 73 Ca 0.68 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1kvi s ALA 73 Cb 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1kvi s ALA 73 CO 0.20 0.57 -0.04 0.14 0.00 0.00 0.00 175.76 176.63 1kvi s VAL 74 N -1.06 0.70 0.67 0.00 -7.23 -0.87 -4.94 120.40 107.66 1kvi s VAL 74 Ca 0.16 -0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.08 1kvi s VAL 74 Cb -0.10 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.06 1kvi s VAL 74 CO 0.08 0.31 1.21 -0.51 -0.31 0.00 0.00 175.10 175.88 1kvi s ILE 75 N 1.83 2.46 -0.41 -0.62 2.07 -1.26 -0.87 121.20 124.39 1kvi s ILE 75 Ca 0.05 0.25 0.09 0.00 -1.41 0.00 0.00 60.65 59.63 1kvi s ILE 75 Cb -0.12 -2.93 0.32 0.00 0.13 0.00 0.00 42.46 39.86 1kvi s ILE 75 CO -0.07 -0.10 0.88 1.57 -1.91 0.00 0.00 174.94 175.31 1kvi n HIS 76 N -2.23 -1.26 -3.84 3.50 -0.00 0.79 -4.83 115.22 107.35 1kvi n HIS 76 Ca 0.13 -3.02 -0.36 0.00 0.46 0.00 0.00 57.72 54.93 1kvi n HIS 76 Cb 0.50 0.51 -0.13 0.00 -0.12 0.00 0.00 29.99 30.75 1kvi n HIS 76 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kvi s ASN 77 N -1.84 5.05 0.00 0.26 4.22 -1.26 -4.62 114.94 116.75 1kvi s ASN 77 Ca 0.32 -1.15 0.20 0.00 -2.14 0.00 0.00 52.86 50.09 1kvi s ASN 77 Cb 0.31 -1.79 1.01 0.00 1.28 0.00 0.00 41.25 42.06 1kvi s ASN 77 CO -0.08 -0.27 1.61 -0.81 -2.04 0.00 0.00 177.10 175.51 1kvi n PRO 78 N 4.72 0.31 0.00 3.55 -0.04 -1.26 -5.06 135.00 137.22 1kvi n PRO 78 Ca -0.13 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1kvi n PRO 78 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1kvi n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06