#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 -5.33 0.00 3.17 8.00 -1.26 -4.78 116.55 116.35 1kvi n ASP 2 Ca 0.00 -0.89 0.11 0.00 0.71 0.00 0.00 54.79 54.72 1kvi n ASP 2 Cb 0.00 -2.67 0.67 0.00 -0.02 0.00 0.00 41.12 39.10 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1kvi n PRO 3 N -3.29 0.68 -2.83 -0.24 -0.04 -1.26 -4.89 135.00 123.14 1kvi n PRO 3 Ca -0.18 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1kvi n PRO 3 Cb 0.61 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.02 -4.76 -4.57 3.54 7.64 -1.26 -4.87 113.62 108.31 1kvi n SER 4 Ca 0.17 -0.51 -0.37 0.00 1.01 0.00 0.00 58.87 59.17 1kvi n SER 4 Cb 0.09 -3.94 -0.03 0.00 -1.01 0.00 0.00 64.21 59.32 1kvi n SER 4 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1kvi s MET 5 N -4.21 3.31 0.00 1.43 -1.94 -1.26 -3.61 119.30 113.02 1kvi s MET 5 Ca 0.27 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1kvi s MET 5 Cb -0.04 -5.33 0.00 0.00 2.01 0.00 0.00 34.83 31.47 1kvi s MET 5 CO 0.54 -2.77 0.00 0.41 -0.01 0.00 0.00 175.02 173.19 1kvi n GLY 6 N 6.25 0.01 3.77 -0.03 0.00 -1.26 -5.13 105.19 108.80 1kvi n GLY 6 Ca 0.41 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1kvi n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kvi s VAL 7 N -0.45 2.75 0.38 1.61 -7.23 -1.24 -4.33 120.40 111.89 1kvi s VAL 7 Ca 0.00 0.65 0.08 0.00 -1.81 0.00 0.00 61.98 60.90 1kvi s VAL 7 Cb 0.00 -3.37 -0.07 0.00 0.56 0.00 0.00 36.38 33.50 1kvi s VAL 7 CO 0.00 0.08 0.01 0.20 -0.31 0.00 0.00 175.10 175.08 1kvi s ASN 8 N -0.87 4.00 -0.08 4.85 -0.87 -0.90 -4.91 114.94 116.16 1kvi s ASN 8 Ca 0.58 -1.19 0.01 0.00 -1.57 0.00 0.00 52.86 50.69 1kvi s ASN 8 Cb -0.36 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.25 40.41 1kvi s ASN 8 CO 0.46 -0.36 -0.10 -0.55 -2.57 0.00 0.00 177.10 173.98 1kvi s SER 9 N -3.72 4.35 -0.13 -1.22 0.15 -1.26 -1.04 113.70 110.83 1kvi s SER 9 Ca 0.35 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.88 1kvi s SER 9 Cb 0.05 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.13 1kvi s SER 9 CO 0.19 0.30 -0.22 -0.69 1.20 0.00 0.00 173.24 174.02 1kvi s VAL 10 N -0.42 1.99 0.29 4.45 1.01 0.15 -4.97 120.40 122.90 1kvi s VAL 10 Ca 0.05 -0.95 0.11 0.00 0.00 0.00 0.00 61.98 61.19 1kvi s VAL 10 Cb -0.12 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1kvi s VAL 10 CO 0.02 0.54 -0.09 0.42 0.00 0.00 0.00 175.10 175.99 1kvi s THR 11 N 0.73 2.84 0.21 3.92 -4.23 -1.26 -1.99 115.64 115.85 1kvi s THR 11 Ca -0.10 -2.15 -0.14 0.00 -1.18 0.00 0.00 61.69 58.12 1kvi s THR 11 Cb -0.16 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1kvi s THR 11 CO 0.01 -0.35 0.45 0.27 -0.54 0.00 0.00 174.62 174.46 1kvi s ILE 12 N -2.45 0.03 0.27 2.99 -0.00 -0.93 -2.09 121.20 119.01 1kvi s ILE 12 Ca 0.31 -1.17 0.04 0.00 -0.00 0.00 0.00 60.65 59.83 1kvi s ILE 12 Cb -0.04 -1.89 -0.03 0.00 -0.00 0.00 0.00 42.46 40.49 1kvi s ILE 12 CO 0.18 -0.12 0.42 -0.55 -0.00 0.00 0.00 174.94 174.87 1kvi s SER 13 N -2.95 6.31 -0.02 4.36 0.15 -0.96 -2.40 113.70 118.19 1kvi s SER 13 Ca 0.16 0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.92 1kvi s SER 13 Cb 0.00 -1.91 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1kvi s SER 13 CO 0.03 -0.14 0.17 -0.69 1.20 0.00 0.00 173.24 173.80 1kvi s VAL 14 N -2.09 0.06 0.00 4.45 1.01 0.22 -0.98 120.40 123.07 1kvi s VAL 14 Ca 0.36 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1kvi s VAL 14 Cb -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1kvi s VAL 14 CO 0.31 -0.27 0.00 1.21 0.00 0.00 0.00 175.10 176.35 1kvi n GLU 15 N 1.83 0.00 -2.95 2.72 4.07 -1.08 -4.67 120.64 120.56 1kvi n GLU 15 Ca -0.20 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.46 1kvi n GLU 15 Cb 0.56 -0.30 -0.02 0.00 -0.06 0.00 0.00 31.44 31.62 1kvi n GLU 15 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1kvi s GLY 16 N -2.61 2.03 0.00 8.31 0.00 -1.26 -4.97 107.32 108.81 1kvi s GLY 16 Ca 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 44.72 41.85 1kvi s GLY 16 CO 0.00 1.98 0.00 1.03 0.00 0.00 0.00 173.10 176.11 1kvi n MET 17 N 6.31 3.69 0.00 2.90 2.81 -1.26 -3.60 117.12 127.96 1kvi n MET 17 Ca 0.25 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 1kvi n MET 17 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 1kvi n MET 17 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1kvi n THR 18 N -0.01 0.00 -1.37 2.03 -1.04 -1.26 -5.05 114.28 107.58 1kvi n THR 18 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1kvi n THR 18 Cb 0.00 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.61 1kvi n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kvi n ASN 20 N -2.35 0.02 0.20 0.00 5.03 -1.26 0.26 115.26 117.16 1kvi n ASN 20 Ca 0.14 0.66 0.07 0.00 0.87 0.00 0.00 54.58 56.32 1kvi n ASN 20 Cb 0.49 -0.27 0.37 0.00 -1.02 0.00 0.00 39.78 39.35 1kvi n ASN 20 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1kvi h SER 21 N 0.00 0.00 0.00 6.41 4.64 -1.94 -2.78 113.55 119.88 1kvi h SER 21 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1kvi h SER 21 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1kvi h SER 21 CO -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.61 1kvi h VAL 23 N 0.00 0.52 0.00 0.00 3.04 -1.82 -2.84 116.25 115.15 1kvi h VAL 23 Ca 0.00 -1.79 -0.08 0.00 -1.01 0.00 0.00 66.70 63.82 1kvi h VAL 23 Cb 0.00 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1kvi h VAL 23 CO 0.00 0.30 -0.40 -0.50 -1.01 0.00 0.00 177.57 175.96 1kvi h TRP 24 N 0.00 0.00 0.19 3.17 6.55 -1.62 2.11 115.95 126.35 1kvi h TRP 24 Ca -0.03 0.00 -0.30 0.00 0.95 0.00 0.00 58.89 59.51 1kvi h TRP 24 Cb 1.30 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.62 1kvi h TRP 24 CO 0.00 0.40 -1.38 1.15 -1.05 0.00 0.00 178.44 177.55 1kvi h THR 25 N 0.00 1.21 -0.28 1.49 2.02 -1.40 -2.26 112.91 113.68 1kvi h THR 25 Ca -0.00 -2.57 -0.03 0.00 0.77 0.00 0.00 66.41 64.58 1kvi h THR 25 Cb 0.77 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 70.13 1kvi h THR 25 CO 0.05 0.78 0.05 0.40 0.37 0.00 0.00 175.52 177.17 1kvi h ILE 26 N -0.06 1.23 -0.64 3.11 2.04 -1.23 -1.45 117.51 120.50 1kvi h ILE 26 Ca -0.26 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1kvi h ILE 26 Cb 1.97 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1kvi h ILE 26 CO 0.19 0.25 0.40 -0.08 0.00 0.00 0.00 178.15 178.92 1kvi h GLU 27 N 0.29 0.85 -0.29 2.37 4.81 0.34 -2.44 114.58 120.50 1kvi h GLU 27 Ca 0.09 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1kvi h GLU 27 Cb 0.33 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1kvi h GLU 27 CO 0.00 0.58 -0.02 0.37 -0.73 0.00 0.00 179.01 179.21 1kvi h GLN 28 N 0.87 0.52 -0.82 1.92 5.75 -0.99 -2.53 115.11 119.83 1kvi h GLN 28 Ca 0.23 -0.18 0.11 0.00 -0.15 0.00 0.00 58.65 58.67 1kvi h GLN 28 Cb -0.07 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.36 1kvi h GLN 28 CO -0.05 0.69 0.45 1.96 -2.65 0.00 0.00 178.83 179.24 1kvi h GLN 29 N 0.31 0.71 -0.28 1.69 1.08 -0.81 -0.63 115.11 117.17 1kvi h GLN 29 Ca 0.08 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1kvi h GLN 29 Cb 0.47 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1kvi h GLN 29 CO 0.02 0.47 0.16 0.82 -0.95 0.00 0.00 178.83 179.35 1kvi h ILE 30 N 0.73 1.12 0.00 2.54 2.04 -1.30 0.84 117.51 123.47 1kvi h ILE 30 Ca 0.41 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1kvi h ILE 30 Cb 0.45 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1kvi h ILE 30 CO -0.28 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.59 1kvi n GLY 31 N -0.99 -0.97 0.01 5.37 0.00 -0.44 -0.99 105.19 107.18 1kvi n GLY 31 Ca -0.02 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1kvi n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kvi n LYS 32 N -2.24 2.52 0.01 1.61 3.00 0.06 -4.66 118.16 118.46 1kvi n LYS 32 Ca -0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.31 58.19 1kvi n LYS 32 Cb 0.09 -1.14 -0.06 0.00 0.00 0.00 0.00 35.03 33.92 1kvi n LYS 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1kvi h VAL 33 N 0.04 0.00 0.00 3.15 2.07 0.24 -3.48 116.25 118.27 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 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1kvi h VAL 33 CO 0.00 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.39 1kvi n ASN 34 N -4.26 0.00 -2.03 0.57 5.15 -1.26 -4.97 115.26 108.46 1kvi n ASN 34 Ca -0.04 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.72 1kvi n ASN 34 Cb 0.23 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.58 1kvi n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kvi n GLY 35 N 0.00 4.46 3.63 8.20 0.00 -1.26 -4.94 105.19 115.28 1kvi n GLY 35 Ca 0.00 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.06 3.78 0.00 1.61 1.01 -1.26 -3.59 120.40 118.89 1kvi s VAL 36 Ca 0.46 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1kvi s VAL 36 Cb 0.37 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1kvi s VAL 36 CO 0.04 -0.30 0.08 1.41 0.00 0.00 0.00 175.10 176.33 1kvi n HIS 37 N 8.16 0.00 -4.51 5.22 8.25 -1.25 -4.86 115.22 126.23 1kvi n HIS 37 Ca 0.18 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.39 1kvi n HIS 37 Cb 0.45 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 1kvi n HIS 37 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1kvi s HIS 38 N -0.16 2.32 0.03 4.41 -3.43 -1.26 -4.94 115.29 112.25 1kvi s HIS 38 Ca 0.00 -0.45 -0.12 0.00 -0.80 0.00 0.00 55.06 53.69 1kvi s HIS 38 Cb 0.00 -1.21 0.01 0.00 -1.43 0.00 0.00 32.58 29.95 1kvi s HIS 38 CO 0.00 0.61 0.26 0.96 -2.00 0.00 0.00 174.74 174.57 1kvi s ILE 39 N -2.61 0.09 -0.25 -5.38 -5.25 -1.26 -1.86 121.20 104.68 1kvi s ILE 39 Ca 0.31 -0.70 -0.26 0.00 -0.99 0.00 0.00 60.65 59.01 1kvi s ILE 39 Cb -0.00 -0.82 0.10 0.00 2.95 0.00 0.00 42.46 44.69 1kvi s ILE 39 CO 0.15 -0.39 0.90 -0.75 -1.79 0.00 0.00 174.94 173.07 1kvi s LYS 40 N -2.19 0.66 -0.05 0.37 2.20 0.36 -4.97 119.74 116.13 1kvi s LYS 40 Ca -0.08 0.67 0.05 0.00 -0.36 0.00 0.00 55.97 56.25 1kvi s LYS 40 Cb -0.02 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1kvi s LYS 40 CO -0.01 -0.10 -0.19 0.54 -0.36 0.00 0.00 175.35 175.22 1kvi s VAL 41 N 0.07 1.60 0.46 4.02 0.11 -1.26 -0.42 120.40 124.98 1kvi s VAL 41 Ca 0.01 -0.82 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 1kvi s VAL 41 Cb -0.04 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1kvi s VAL 41 CO -0.02 0.46 0.34 -0.94 -3.33 0.00 0.00 175.10 171.61 1kvi s SER 42 N -0.02 4.76 -0.02 3.54 1.04 -0.73 -5.01 113.70 117.25 1kvi s SER 42 Ca -0.04 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.43 1kvi s SER 42 Cb -0.12 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 1kvi s SER 42 CO 0.03 -0.77 0.01 0.18 0.98 0.00 0.00 173.24 173.67 1kvi n LEU 43 N -1.54 0.00 0.21 2.42 7.99 -1.26 -3.77 117.00 121.05 1kvi n LEU 43 Ca 0.01 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.06 1kvi n LEU 43 Cb 0.63 0.05 0.45 0.00 -0.11 0.00 0.00 43.42 44.45 1kvi n LEU 43 CO 0.42 0.05 0.81 -0.08 -1.51 0.00 0.00 177.39 177.09 1kvi h GLU 44 N 0.00 0.00 -0.08 3.23 4.81 -1.98 -3.00 114.58 117.57 1kvi h GLU 44 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1kvi h GLU 44 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1kvi h GLU 44 CO 0.00 0.28 0.00 0.39 -0.73 0.00 0.00 179.01 178.95 1kvi n GLU 45 N -4.08 1.33 -3.82 1.92 1.02 -1.26 -5.02 120.64 110.72 1kvi n GLU 45 Ca -0.02 -1.26 -0.31 0.00 -0.02 0.00 0.00 57.16 55.55 1kvi n GLU 45 Cb 0.33 -1.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.09 -1.07 -3.93 3.49 4.01 -1.13 -4.76 118.16 114.87 1kvi n LYS 46 Ca 0.04 0.56 -0.09 0.00 -0.51 0.00 0.00 58.31 58.31 1kvi n LYS 46 Cb 0.22 -2.83 -0.03 0.00 -0.51 0.00 0.00 35.03 31.88 1kvi n LYS 46 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1kvi s ASN 47 N -3.22 -0.06 0.04 4.39 4.22 -1.25 -0.61 114.94 118.45 1kvi s ASN 47 Ca 0.22 -0.89 -0.02 0.00 -2.14 0.00 0.00 52.86 50.03 1kvi s ASN 47 Cb -0.11 0.68 -0.02 0.00 1.28 0.00 0.00 41.25 43.08 1kvi s ASN 47 CO 0.91 -1.30 0.01 0.00 -2.04 0.00 0.00 177.10 174.67 1kvi s ALA 48 N -3.67 0.18 -0.04 3.54 0.00 -1.01 -1.78 121.76 118.99 1kvi s ALA 48 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1kvi s ALA 48 Cb -0.03 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1kvi s ALA 48 CO 0.10 -0.28 -0.01 -0.08 0.00 0.00 0.00 175.76 175.49 1kvi s THR 49 N -2.62 0.27 0.09 0.00 -1.32 0.44 -2.19 115.64 110.30 1kvi s THR 49 Ca -0.05 0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.44 1kvi s THR 49 Cb -0.01 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1kvi s THR 49 CO -0.05 0.18 0.13 0.27 -2.21 0.00 0.00 174.62 172.95 1kvi s ILE 50 N 1.22 0.15 0.39 5.08 -5.25 -0.84 -0.48 121.20 121.46 1kvi s ILE 50 Ca -0.07 -1.44 0.08 0.00 -0.99 0.00 0.00 60.65 58.23 1kvi s ILE 50 Cb -0.13 -1.52 -0.05 0.00 2.95 0.00 0.00 42.46 43.71 1kvi s ILE 50 CO -0.02 -0.67 0.18 -0.63 -1.79 0.00 0.00 174.94 172.01 1kvi s ILE 51 N -3.91 2.59 -0.29 8.37 -1.09 -0.78 0.32 121.20 126.42 1kvi s ILE 51 Ca 0.09 -1.67 -0.17 0.00 -2.23 0.00 0.00 60.65 56.68 1kvi s ILE 51 Cb 0.06 -2.98 0.12 0.00 -1.58 0.00 0.00 42.46 38.08 1kvi s ILE 51 CO -0.08 -0.07 0.88 -0.72 -1.23 0.00 0.00 174.94 173.73 1kvi s TYR 52 N -2.52 -0.73 -0.06 3.97 1.13 -0.21 -3.90 117.35 115.02 1kvi s TYR 52 Ca 0.41 1.47 -0.30 0.00 -1.41 0.00 0.00 57.07 57.23 1kvi s TYR 52 Cb 0.01 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.28 1kvi s TYR 52 CO 0.23 -0.36 1.11 0.16 -2.51 0.00 0.00 175.55 174.19 1kvi s ASP 53 N 1.36 7.14 0.34 -0.18 -4.77 -1.24 -2.12 116.67 117.21 1kvi s ASP 53 Ca -0.09 1.71 0.12 0.00 -3.30 0.00 0.00 52.55 50.99 1kvi s ASP 53 Cb -0.04 -2.56 0.60 0.00 -1.09 0.00 0.00 42.92 39.83 1kvi s ASP 53 CO -0.16 -0.51 1.76 1.55 0.70 0.00 0.00 175.17 178.51 1kvi h PRO 54 N 7.25 0.02 -0.01 2.11 0.13 -1.75 0.95 132.00 140.69 1kvi h PRO 54 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1kvi h PRO 54 Cb 1.16 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1kvi h PRO 54 CO 0.86 0.46 0.42 1.57 -0.23 0.00 0.00 178.00 181.08 1kvi h LYS 55 N 0.01 0.00 0.00 0.86 2.10 -1.90 -3.24 116.57 114.40 1kvi h LYS 55 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1kvi h LYS 55 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1kvi h LYS 55 CO 0.06 0.00 -0.21 1.28 -2.00 0.00 0.00 179.45 178.58 1kvi n LEU 56 N -2.86 0.56 0.00 7.07 4.77 -1.00 -5.12 117.00 120.42 1kvi n LEU 56 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1kvi n LEU 56 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1kvi n LEU 56 CO 0.12 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 1kvi n GLN 57 N -1.79 2.12 -3.91 3.23 3.00 0.33 -5.07 117.38 115.29 1kvi n GLN 57 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1kvi n GLN 57 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.36 1kvi n GLN 57 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1kvi s THR 58 N 0.84 0.00 -0.83 5.09 -4.23 -1.26 -3.95 115.64 111.31 1kvi s THR 58 Ca 0.00 -0.55 0.22 0.00 -1.18 0.00 0.00 61.69 60.18 1kvi s THR 58 Cb 0.00 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 71.07 1kvi s THR 58 CO 0.00 0.00 1.67 -0.81 -0.54 0.00 0.00 174.62 174.94 1kvi n PRO 59 N -0.74 0.09 -0.03 3.99 -0.04 -1.26 -3.42 135.00 133.58 1kvi n PRO 59 Ca -0.02 0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1kvi n PRO 59 Cb 0.59 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1kvi n PRO 59 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kvi h LYS 60 N 0.00 -0.03 -0.84 0.54 1.57 -1.99 -3.06 116.57 112.75 1kvi h LYS 60 Ca 0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.99 1kvi h LYS 60 Cb 0.40 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.57 1kvi h LYS 60 CO 0.00 0.68 0.01 1.15 -0.57 0.00 0.00 179.45 180.73 1kvi h THR 61 N -0.85 0.23 -0.49 -0.16 2.02 -1.96 0.93 112.91 112.64 1kvi h THR 61 Ca -0.00 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1kvi h THR 61 Cb 0.73 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1kvi h THR 61 CO 0.01 0.02 0.24 -0.07 0.37 0.00 0.00 175.52 176.09 1kvi h LEU 62 N 0.08 0.35 0.10 2.58 4.07 -1.70 2.09 115.31 122.89 1kvi h LEU 62 Ca 0.48 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.46 1kvi h LEU 62 Cb 0.89 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1kvi h LEU 62 CO -0.75 0.24 -0.05 1.56 -1.08 0.00 0.00 178.44 178.36 1kvi h GLN 63 N 0.48 -0.12 -0.35 1.13 4.20 0.67 -1.88 115.11 119.24 1kvi h GLN 63 Ca 0.21 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 1kvi h GLN 63 Cb 0.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1kvi h GLN 63 CO -0.15 0.04 -0.01 1.49 -0.67 0.00 0.00 178.83 179.53 1kvi h GLU 64 N -0.27 0.54 0.32 1.46 4.81 0.65 -2.61 114.58 119.49 1kvi h GLU 64 Ca -0.01 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1kvi h GLU 64 Cb 0.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1kvi h GLU 64 CO 0.02 0.58 -0.32 0.00 -0.73 0.00 0.00 179.01 178.56 1kvi h ALA 65 N 1.47 -0.67 -0.79 2.92 0.00 0.38 0.90 119.26 123.47 1kvi h ALA 65 Ca 0.11 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1kvi h ALA 65 Cb 0.35 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1kvi h ALA 65 CO 0.01 -0.91 0.44 0.82 0.00 0.00 0.00 179.25 179.61 1kvi h ILE 66 N -0.66 0.90 0.00 0.00 1.08 -1.18 0.19 117.51 117.83 1kvi h ILE 66 Ca -0.02 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 64.11 1kvi h ILE 66 Cb 0.60 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1kvi h ILE 66 CO -0.06 0.14 -0.43 0.44 -0.69 0.00 0.00 178.15 177.55 1kvi h ASP 67 N 0.75 0.00 1.39 1.72 5.19 -1.00 0.47 116.42 124.93 1kvi h ASP 67 Ca 0.38 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.72 1kvi h ASP 67 Cb 0.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1kvi h ASP 67 CO -0.25 0.43 -0.34 -0.78 -3.12 0.00 0.00 179.24 175.18 1kvi h ASP 68 N 0.00 0.00 0.01 6.45 1.82 0.32 -3.34 116.42 121.68 1kvi h ASP 68 Ca -0.00 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.24 1kvi h ASP 68 Cb 0.78 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.73 1kvi h ASP 68 CO 0.06 0.34 -2.18 0.80 -1.61 0.00 0.00 179.24 176.65 1kvi n MET 69 N -3.26 0.60 0.00 0.28 1.56 0.41 -5.06 117.12 111.64 1kvi n MET 69 Ca 0.02 0.33 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 1kvi n MET 69 Cb 0.61 -1.57 0.00 0.00 2.15 0.00 0.00 33.22 34.41 1kvi n MET 69 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kvi n GLY 70 N 1.49 0.77 3.09 -5.12 0.00 0.16 -5.09 105.19 100.48 1kvi n GLY 70 Ca -0.46 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.01 -0.29 -1.10 1.61 0.08 -1.22 -5.06 117.98 110.99 1kvi s PHE 71 Ca 0.00 0.70 -0.24 0.00 0.12 0.00 0.00 56.93 57.50 1kvi s PHE 71 Cb 0.00 0.07 -0.13 0.00 -0.57 0.00 0.00 43.02 42.39 1kvi s PHE 71 CO 0.00 -0.17 2.02 -0.51 -0.10 0.00 0.00 175.22 176.46 1kvi s ASP 72 N 0.63 4.45 0.43 1.36 1.01 -1.24 -4.89 116.67 118.43 1kvi s ASP 72 Ca -0.04 -1.25 0.07 0.00 0.71 0.00 0.00 52.55 52.04 1kvi s ASP 72 Cb -0.06 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1kvi s ASP 72 CO -0.04 -3.65 0.22 0.00 0.21 0.00 0.00 175.17 171.91 1kvi s ALA 73 N 13.12 3.75 -0.45 5.23 0.00 -1.26 -2.63 121.76 139.52 1kvi s ALA 73 Ca 0.74 -1.92 0.05 0.00 0.00 0.00 0.00 51.96 50.83 1kvi s ALA 73 Cb -0.03 -0.46 0.18 0.00 0.00 0.00 0.00 23.12 22.80 1kvi s ALA 73 CO 0.13 -0.20 0.49 0.28 0.00 0.00 0.00 175.76 176.47 1kvi n VAL 74 N -1.33 -0.76 -1.71 0.00 0.31 -0.15 -4.86 118.33 109.84 1kvi n VAL 74 Ca -0.01 -2.52 -0.41 0.00 -0.01 0.00 0.00 64.34 61.38 1kvi n VAL 74 Cb 0.64 -0.65 0.01 0.00 -0.91 0.00 0.00 33.84 32.93 1kvi n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kvi n ILE 75 N 2.85 2.40 -3.20 2.52 3.06 -1.26 -2.26 119.36 123.47 1kvi n ILE 75 Ca 0.25 -0.50 0.01 0.00 -2.50 0.00 0.00 62.75 60.02 1kvi n ILE 75 Cb 0.51 -1.62 -0.01 0.00 0.54 0.00 0.00 39.64 39.07 1kvi n ILE 75 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 1kvi s HIS 76 N -1.17 -1.74 -0.43 9.51 2.46 -0.89 -4.94 115.29 118.09 1kvi s HIS 76 Ca 0.59 0.47 0.08 0.00 0.47 0.00 0.00 55.06 56.67 1kvi s HIS 76 Cb -0.52 0.30 0.35 0.00 -0.13 0.00 0.00 32.58 32.58 1kvi s HIS 76 CO 0.59 -1.15 1.14 0.27 -2.47 0.00 0.00 174.74 173.12 1kvi n ASN 77 N 4.70 -1.77 -4.79 9.88 0.23 -1.26 -4.67 115.26 117.58 1kvi n ASN 77 Ca 0.09 -3.28 -0.31 0.00 -0.53 0.00 0.00 54.58 50.56 1kvi n ASN 77 Cb 0.56 1.35 0.08 0.00 -2.08 0.00 0.00 39.78 39.69 1kvi n ASN 77 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1kvi s PRO 78 N -0.15 2.34 0.00 -0.53 0.04 -1.26 -5.03 135.00 130.41 1kvi s PRO 78 Ca 0.24 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1kvi s PRO 78 Cb 0.33 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1kvi s PRO 78 CO -0.06 -1.50 0.00 -3.47 0.04 0.00 0.00 177.00 172.01