#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 1.38 0.00 7.83 -0.08 -1.26 -4.87 116.55 119.55 1kvi n ASP 2 Ca 0.00 -3.09 0.09 0.00 -1.51 0.00 0.00 54.79 50.28 1kvi n ASP 2 Cb 0.00 -0.61 0.54 0.00 2.34 0.00 0.00 41.12 43.39 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1kvi n PRO 3 N 0.33 0.80 -2.22 -0.67 -0.04 -1.26 -4.84 135.00 127.09 1kvi n PRO 3 Ca 0.26 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1kvi n PRO 3 Cb 0.60 -1.36 -0.00 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 -0.86 -3.21 -4.55 3.54 7.64 -1.26 -4.92 113.62 110.00 1kvi n SER 4 Ca 0.14 -0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 1kvi n SER 4 Cb 0.06 -2.44 -0.03 0.00 -1.01 0.00 0.00 64.21 60.79 1kvi n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kvi s MET 5 N -4.53 2.59 0.00 1.43 0.23 -1.26 -2.36 119.30 115.41 1kvi s MET 5 Ca 0.02 0.72 0.00 0.00 -1.03 0.00 0.00 55.69 55.40 1kvi s MET 5 Cb -0.01 -4.40 0.00 0.00 -1.53 0.00 0.00 34.83 28.89 1kvi s MET 5 CO 0.02 -2.76 0.00 0.41 -2.03 0.00 0.00 175.02 170.66 1kvi n GLY 6 N 5.72 1.09 3.78 3.16 0.00 -1.26 -5.12 105.19 112.57 1kvi n GLY 6 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.20 4.29 0.36 1.61 -7.23 -0.99 -4.00 120.40 114.24 1kvi s VAL 7 Ca 0.00 1.74 0.08 0.00 -1.81 0.00 0.00 61.98 61.98 1kvi s VAL 7 Cb 0.00 -4.07 -0.03 0.00 0.56 0.00 0.00 36.38 32.84 1kvi s VAL 7 CO 0.00 0.32 0.27 0.20 -0.31 0.00 0.00 175.10 175.58 1kvi s ASN 8 N -1.43 5.03 -0.12 4.85 -0.87 -1.06 -4.86 114.94 116.49 1kvi s ASN 8 Ca 0.43 -0.66 0.01 0.00 -1.57 0.00 0.00 52.86 51.07 1kvi s ASN 8 Cb -0.21 -0.78 -0.02 0.00 -0.02 0.00 0.00 41.25 40.23 1kvi s ASN 8 CO 0.25 -0.43 -0.14 -0.94 -2.57 0.00 0.00 177.10 173.28 1kvi s SER 9 N -3.99 3.97 -0.05 -1.22 1.04 -1.26 -0.73 113.70 111.46 1kvi s SER 9 Ca 0.42 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.59 1kvi s SER 9 Cb -0.04 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 1kvi s SER 9 CO 0.26 0.20 -0.21 -0.69 0.98 0.00 0.00 173.24 173.77 1kvi s VAL 10 N 0.17 2.43 0.15 5.02 1.01 0.30 -4.94 120.40 124.54 1kvi s VAL 10 Ca -0.08 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.05 1kvi s VAL 10 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1kvi s VAL 10 CO 0.05 0.57 -0.12 0.42 0.00 0.00 0.00 175.10 176.03 1kvi s THR 11 N -0.39 3.13 -0.07 3.92 -4.23 -1.26 -1.42 115.64 115.31 1kvi s THR 11 Ca 0.04 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1kvi s THR 11 Cb -0.12 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.23 1kvi s THR 11 CO 0.02 -0.03 0.19 -0.51 -0.54 0.00 0.00 174.62 173.75 1kvi s ILE 12 N -1.50 -0.00 -0.22 2.99 -1.16 -0.78 -0.24 121.20 120.28 1kvi s ILE 12 Ca 0.23 0.00 -0.19 0.00 -0.51 0.00 0.00 60.65 60.17 1kvi s ILE 12 Cb -0.10 -0.28 -0.03 0.00 0.61 0.00 0.00 42.46 42.67 1kvi s ILE 12 CO 0.14 0.00 0.58 -0.44 -2.81 0.00 0.00 174.94 172.41 1kvi s SER 13 N 0.12 6.58 0.16 4.50 0.01 0.68 -1.35 113.70 124.40 1kvi s SER 13 Ca -0.00 0.71 0.07 0.00 1.31 0.00 0.00 55.95 58.04 1kvi s SER 13 Cb -0.02 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1kvi s SER 13 CO 0.00 -0.27 -0.02 0.54 0.41 0.00 0.00 173.24 173.90 1kvi s VAL 14 N 2.04 3.62 0.29 3.43 0.11 0.48 -1.97 120.40 128.40 1kvi s VAL 14 Ca 0.25 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 1kvi s VAL 14 Cb -0.16 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.89 1kvi s VAL 14 CO 0.09 -0.07 0.00 -0.62 -3.33 0.00 0.00 175.10 171.17 1kvi n GLU 15 N 0.03 0.00 -1.70 1.54 1.02 -1.23 -4.19 120.64 116.11 1kvi n GLU 15 Ca -0.10 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.69 1kvi n GLU 15 Cb 0.55 -0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.91 1kvi n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kvi n GLY 16 N 1.50 1.74 0.00 0.62 0.00 -1.26 -4.85 105.19 102.94 1kvi n GLY 16 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1kvi n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kvi n MET 17 N 7.74 3.61 0.07 1.61 2.81 -1.26 -4.50 117.12 127.19 1kvi n MET 17 Ca 0.47 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1kvi n MET 17 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 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 0.00 0.00 0.05 2.03 -1.04 -1.26 -5.01 114.28 109.04 1kvi n THR 18 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kvi n THR 18 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 -2.75 -0.04 0.12 0.00 4.05 -1.26 -4.82 115.26 110.56 1kvi n ASN 20 Ca 0.00 0.06 0.16 0.00 0.45 0.00 0.00 54.58 55.25 1kvi n ASN 20 Cb 0.00 0.08 0.45 0.00 1.23 0.00 0.00 39.78 41.54 1kvi n ASN 20 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1kvi h SER 21 N 0.00 0.00 0.00 1.20 4.64 -1.97 -2.04 113.55 115.38 1kvi h SER 21 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kvi h SER 21 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kvi h SER 21 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1kvi h VAL 23 N 0.00 1.32 -0.84 0.00 3.04 -1.88 -2.86 116.25 115.02 1kvi h VAL 23 Ca 0.00 -2.59 0.20 0.00 -1.01 0.00 0.00 66.70 63.30 1kvi h VAL 23 Cb 0.00 3.05 -0.06 0.00 -2.01 0.00 0.00 31.29 32.28 1kvi h VAL 23 CO 0.00 0.77 0.57 -0.50 -1.01 0.00 0.00 177.57 177.39 1kvi h TRP 24 N -0.11 0.42 0.08 3.17 6.55 -1.52 2.96 115.95 127.49 1kvi h TRP 24 Ca -0.23 0.01 -0.21 0.00 0.95 0.00 0.00 58.89 59.42 1kvi h TRP 24 Cb 1.91 -0.13 0.02 0.00 -0.86 0.00 0.00 29.16 30.11 1kvi h TRP 24 CO 0.15 0.12 -0.87 1.15 -1.05 0.00 0.00 178.44 177.94 1kvi h THR 25 N 0.32 1.41 0.70 1.49 2.02 -1.45 -2.39 112.91 115.00 1kvi h THR 25 Ca 0.43 -2.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.23 1kvi h THR 25 Cb 1.17 2.82 0.01 0.00 -1.74 0.00 0.00 68.15 70.41 1kvi h THR 25 CO -0.13 0.69 -0.33 0.40 0.37 0.00 0.00 175.52 176.51 1kvi h ILE 26 N -0.07 0.16 -1.02 3.11 2.04 -0.36 -2.22 117.51 119.14 1kvi h ILE 26 Ca -0.13 -0.25 0.37 0.00 1.00 0.00 0.00 64.86 65.85 1kvi h ILE 26 Cb 1.61 0.20 -0.16 0.00 -0.74 0.00 0.00 36.82 37.73 1kvi h ILE 26 CO 0.17 0.02 0.58 -0.08 0.00 0.00 0.00 178.15 178.83 1kvi h GLU 27 N -1.15 0.18 -0.19 2.37 4.22 0.50 0.62 114.58 121.13 1kvi h GLU 27 Ca -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 1kvi h GLU 27 Cb 0.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1kvi h GLU 27 CO 0.16 0.12 0.09 0.37 -2.18 0.00 0.00 179.01 177.57 1kvi h GLN 28 N 0.18 0.28 0.27 1.92 4.15 -0.99 -0.85 115.11 120.08 1kvi h GLN 28 Ca 0.78 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.15 1kvi h GLN 28 Cb 1.96 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.60 1kvi h GLN 28 CO -0.66 0.30 -0.13 0.37 -1.93 0.00 0.00 178.83 176.79 1kvi h GLN 29 N 0.19 -0.35 -1.11 1.69 4.15 0.66 -1.24 115.11 119.10 1kvi h GLN 29 Ca 0.07 0.02 0.32 0.00 0.77 0.00 0.00 58.65 59.83 1kvi h GLN 29 Cb 0.12 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 1kvi h GLN 29 CO -0.01 -0.03 0.79 0.97 -1.93 0.00 0.00 178.83 178.62 1kvi h ILE 30 N -0.96 0.45 0.07 2.39 6.09 -0.68 0.90 117.51 125.78 1kvi h ILE 30 Ca -0.04 -0.02 -0.25 0.00 -1.37 0.00 0.00 64.86 63.19 1kvi h ILE 30 Cb 0.49 0.40 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 1kvi h ILE 30 CO 0.06 0.01 -1.17 1.23 -3.07 0.00 0.00 178.15 175.21 1kvi h GLY 31 N 0.05 0.18 -0.92 8.18 0.00 -1.07 -3.17 103.07 106.31 1kvi h GLY 31 Ca 0.54 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1kvi h GLY 31 CO -0.04 0.39 0.00 1.17 0.00 0.00 0.00 176.54 178.06 1kvi n LYS 32 N -3.44 1.72 0.17 4.80 4.81 0.27 -3.79 118.16 122.71 1kvi n LYS 32 Ca -0.06 -1.10 0.12 0.00 -0.87 0.00 0.00 58.31 56.40 1kvi n LYS 32 Cb 0.99 -1.35 0.19 0.00 0.02 0.00 0.00 35.03 34.89 1kvi n LYS 32 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1kvi h VAL 33 N 2.05 0.00 0.00 3.15 3.04 -0.37 -3.48 116.25 120.64 1kvi h VAL 33 Ca 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1kvi h VAL 33 Cb 0.46 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1kvi h VAL 33 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.10 1kvi n ASN 34 N -2.83 1.06 -2.49 3.17 0.23 -1.25 -5.04 115.26 108.12 1kvi n ASN 34 Ca 0.04 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.79 1kvi n ASN 34 Cb 0.51 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.22 1kvi n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kvi n GLY 35 N 0.00 5.97 3.54 4.83 0.00 -1.26 -5.02 105.19 113.24 1kvi n GLY 35 Ca 0.00 -2.67 -0.50 0.00 0.00 0.00 0.00 46.02 42.85 1kvi n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1kvi n VAL 36 N -0.55 1.01 0.68 1.61 3.14 -1.26 -4.43 118.33 118.53 1kvi n VAL 36 Ca 0.44 -0.25 0.07 0.00 -2.96 0.00 0.00 64.34 61.64 1kvi n VAL 36 Cb 0.62 -0.58 -0.09 0.00 -1.06 0.00 0.00 33.84 32.74 1kvi n VAL 36 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1kvi n HIS 37 N 1.17 0.00 -3.59 1.45 8.25 -1.26 -4.99 115.22 116.25 1kvi n HIS 37 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1kvi n HIS 37 Cb 0.22 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 1kvi n HIS 37 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1kvi s HIS 38 N -2.47 -0.58 -0.29 4.41 5.65 -1.26 -4.96 115.29 115.78 1kvi s HIS 38 Ca 0.05 1.22 -0.13 0.00 0.25 0.00 0.00 55.06 56.45 1kvi s HIS 38 Cb 0.11 0.37 0.12 0.00 -1.18 0.00 0.00 32.58 32.01 1kvi s HIS 38 CO 0.63 -0.40 0.74 -1.50 -0.65 0.00 0.00 174.74 173.55 1kvi s ILE 39 N -0.46 -0.47 -0.07 0.89 2.07 -1.26 -0.12 121.20 121.78 1kvi s ILE 39 Ca -0.03 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.15 1kvi s ILE 39 Cb -0.02 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.58 1kvi s ILE 39 CO 0.02 0.00 0.19 -0.75 -1.91 0.00 0.00 174.94 172.49 1kvi s LYS 40 N 2.22 0.22 0.05 3.50 2.20 0.14 -4.97 119.74 123.11 1kvi s LYS 40 Ca -0.07 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1kvi s LYS 40 Cb -0.08 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 1kvi s LYS 40 CO -0.19 -0.03 -0.12 0.54 -0.36 0.00 0.00 175.35 175.19 1kvi s VAL 41 N 0.08 0.95 0.32 4.02 0.11 -1.26 0.58 120.40 125.20 1kvi s VAL 41 Ca -0.00 -1.10 0.05 0.00 -2.93 0.00 0.00 61.98 58.00 1kvi s VAL 41 Cb -0.01 -0.91 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 1kvi s VAL 41 CO 0.00 -0.16 0.02 -0.44 -3.33 0.00 0.00 175.10 171.19 1kvi s SER 42 N -1.42 2.58 0.00 3.54 0.01 -0.84 -4.99 113.70 112.58 1kvi s SER 42 Ca -0.02 -1.32 0.08 0.00 1.31 0.00 0.00 55.95 56.00 1kvi s SER 42 Cb -0.09 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.05 1kvi s SER 42 CO 0.01 -0.52 0.68 0.18 0.41 0.00 0.00 173.24 174.00 1kvi n LEU 43 N -0.67 1.45 -0.07 2.44 4.32 -1.26 -3.97 117.00 119.23 1kvi n LEU 43 Ca -0.03 -0.91 -0.14 0.00 -0.02 0.00 0.00 56.01 54.91 1kvi n LEU 43 Cb 0.66 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.31 1kvi n LEU 43 CO 0.42 0.29 -0.97 -1.84 -1.22 0.00 0.00 177.39 174.07 1kvi n GLU 44 N 0.17 0.68 -0.17 3.23 0.28 -1.26 -4.26 120.64 119.31 1kvi n GLU 44 Ca 0.04 0.16 0.11 0.00 -0.16 0.00 0.00 57.16 57.31 1kvi n GLU 44 Cb 0.19 -1.63 0.19 0.00 1.43 0.00 0.00 31.44 31.62 1kvi n GLU 44 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1kvi n GLU 45 N -3.08 2.37 -3.89 3.44 1.02 -1.26 -4.98 120.64 114.26 1kvi n GLU 45 Ca -0.31 -2.17 -0.37 0.00 -0.02 0.00 0.00 57.16 54.28 1kvi n GLU 45 Cb 1.07 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 31.05 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 1.34 -1.00 -3.64 3.49 4.01 -1.26 -4.76 118.16 116.34 1kvi n LYS 46 Ca 0.17 0.28 -0.04 0.00 -0.51 0.00 0.00 58.31 58.22 1kvi n LYS 46 Cb 0.56 -3.50 -0.01 0.00 -0.51 0.00 0.00 35.03 31.57 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 -3.61 -0.20 -0.03 4.39 4.22 -1.25 0.18 114.94 118.64 1kvi s ASN 47 Ca 0.42 -0.19 -0.13 0.00 -2.14 0.00 0.00 52.86 50.82 1kvi s ASN 47 Cb -0.19 0.35 0.02 0.00 1.28 0.00 0.00 41.25 42.71 1kvi s ASN 47 CO 0.91 -0.62 0.28 0.00 -2.04 0.00 0.00 177.10 175.63 1kvi s ALA 48 N -2.96 -0.71 0.14 3.54 0.00 -0.46 -1.99 121.76 119.32 1kvi s ALA 48 Ca 0.10 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1kvi s ALA 48 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1kvi s ALA 48 CO -0.03 -0.23 0.00 0.99 0.00 0.00 0.00 175.76 176.49 1kvi s THR 49 N -1.08 3.85 -0.01 0.00 2.01 0.20 -1.87 115.64 118.74 1kvi s THR 49 Ca -0.11 -1.24 -0.28 0.00 0.31 0.00 0.00 61.69 60.36 1kvi s THR 49 Cb -0.05 -2.90 0.10 0.00 0.01 0.00 0.00 72.50 69.66 1kvi s THR 49 CO 0.03 -0.02 0.85 -0.51 -0.69 0.00 0.00 174.62 174.28 1kvi s ILE 50 N -1.56 0.00 0.41 1.82 -1.16 -0.51 0.26 121.20 120.47 1kvi s ILE 50 Ca 0.27 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.48 1kvi s ILE 50 Cb -0.10 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.93 1kvi s ILE 50 CO 0.19 0.00 0.30 -0.63 -2.81 0.00 0.00 174.94 171.99 1kvi s ILE 51 N -2.74 2.53 -0.30 2.00 1.01 0.83 0.11 121.20 124.64 1kvi s ILE 51 Ca 0.02 -1.48 -0.12 0.00 0.00 0.00 0.00 60.65 59.07 1kvi s ILE 51 Cb -0.01 -3.00 0.15 0.00 0.01 0.00 0.00 42.46 39.61 1kvi s ILE 51 CO -0.06 -0.00 0.82 -0.72 0.00 0.00 0.00 174.94 174.97 1kvi s TYR 52 N -2.52 -1.03 -0.06 3.97 1.13 0.09 -4.27 117.35 114.66 1kvi s TYR 52 Ca 0.45 1.69 -0.29 0.00 -1.41 0.00 0.00 57.07 57.50 1kvi s TYR 52 Cb -0.00 0.58 -0.06 0.00 -1.10 0.00 0.00 41.96 41.37 1kvi s TYR 52 CO 0.26 -0.52 1.85 0.34 -2.51 0.00 0.00 175.55 174.97 1kvi s ASP 53 N 2.70 6.38 0.08 -0.18 -1.08 -1.26 -2.55 116.67 120.76 1kvi s ASP 53 Ca -0.02 2.28 -0.16 0.00 -0.52 0.00 0.00 52.55 54.13 1kvi s ASP 53 Cb -0.09 -2.53 -0.11 0.00 -1.46 0.00 0.00 42.92 38.72 1kvi s ASP 53 CO -0.18 -1.16 1.37 1.55 0.52 0.00 0.00 175.17 177.26 1kvi h PRO 54 N 10.87 0.63 -0.91 4.34 0.13 -1.71 1.34 132.00 146.70 1kvi h PRO 54 Ca -0.43 -0.37 0.26 0.00 -0.87 0.00 0.00 66.00 64.59 1kvi h PRO 54 Cb 1.21 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1kvi h PRO 54 CO 0.96 0.98 0.95 1.57 -0.23 0.00 0.00 178.00 182.23 1kvi h LYS 55 N 0.33 0.00 0.00 0.86 2.10 -1.89 -1.83 116.57 116.14 1kvi h LYS 55 Ca 0.02 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 1kvi h LYS 55 Cb 0.92 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 1kvi h LYS 55 CO 0.08 0.00 -1.19 -0.11 -2.00 0.00 0.00 179.45 176.22 1kvi n LEU 56 N -3.51 1.47 0.00 7.07 7.94 -1.08 -5.08 117.00 123.80 1kvi n LEU 56 Ca 0.20 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1kvi n LEU 56 Cb 1.25 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 45.17 1kvi n LEU 56 CO 0.28 0.31 0.00 1.67 -1.11 0.00 0.00 177.39 178.53 1kvi n GLN 57 N -2.35 3.12 -3.86 1.96 -0.06 0.46 -5.07 117.38 111.58 1kvi n GLN 57 Ca -0.05 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 54.97 1kvi n GLN 57 Cb 0.58 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.77 1kvi n GLN 57 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1kvi n THR 58 N 0.00 0.00 0.15 1.69 -2.24 -1.26 -4.08 114.28 108.54 1kvi n THR 58 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1kvi n THR 58 Cb 0.00 0.56 0.25 0.00 -2.10 0.00 0.00 70.33 69.04 1kvi n THR 58 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1kvi h PRO 59 N 0.00 0.04 -0.48 -0.78 0.13 -1.93 -2.93 132.00 126.04 1kvi h PRO 59 Ca -0.21 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1kvi h PRO 59 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1kvi h PRO 59 CO 0.30 0.52 0.10 0.87 -0.23 0.00 0.00 178.00 179.56 1kvi h LYS 60 N 0.03 0.74 0.49 0.86 6.56 -1.95 -2.75 116.57 120.55 1kvi h LYS 60 Ca -0.00 -0.15 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 1kvi h LYS 60 Cb 0.87 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.41 1kvi h LYS 60 CO 0.07 0.68 -0.35 1.15 -2.06 0.00 0.00 179.45 178.94 1kvi h THR 61 N 0.71 0.29 -0.91 -0.16 2.02 -1.91 0.10 112.91 113.06 1kvi h THR 61 Ca 0.16 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.53 1kvi h THR 61 Cb 0.29 0.29 -0.11 0.00 -1.74 0.00 0.00 68.15 66.88 1kvi h THR 61 CO -0.00 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.28 1kvi h LEU 62 N -0.82 0.51 -0.50 2.58 4.07 -1.60 0.58 115.31 120.13 1kvi h LEU 62 Ca -0.05 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1kvi h LEU 62 Cb 0.68 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1kvi h LEU 62 CO 0.03 0.14 0.28 -0.61 -1.08 0.00 0.00 178.44 177.20 1kvi h GLN 63 N 0.56 0.70 0.00 1.13 4.15 -1.07 -1.32 115.11 119.26 1kvi h GLN 63 Ca 0.53 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.81 1kvi h GLN 63 Cb 0.90 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1kvi h GLN 63 CO -0.44 0.54 -0.29 1.49 -1.93 0.00 0.00 178.83 178.21 1kvi h GLU 64 N 0.67 0.00 0.59 1.69 4.57 0.21 -2.70 114.58 119.61 1kvi h GLU 64 Ca 0.18 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1kvi h GLU 64 Cb 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1kvi h GLU 64 CO -0.03 0.29 -0.29 0.00 -1.18 0.00 0.00 179.01 177.80 1kvi h ALA 65 N 1.71 -0.95 -0.98 2.92 0.00 0.11 0.03 119.26 122.10 1kvi h ALA 65 Ca -0.00 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1kvi h ALA 65 Cb 0.61 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1kvi h ALA 65 CO 0.04 -0.89 0.61 0.82 0.00 0.00 0.00 179.25 179.83 1kvi h ILE 66 N -1.01 0.71 0.00 0.00 1.08 -1.39 0.64 117.51 117.55 1kvi h ILE 66 Ca -0.08 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1kvi h ILE 66 Cb 0.61 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1kvi h ILE 66 CO 0.13 0.13 -0.27 -0.78 -0.69 0.00 0.00 178.15 176.67 1kvi h ASP 67 N 0.69 0.00 0.34 1.72 1.82 -1.37 0.19 116.42 119.81 1kvi h ASP 67 Ca 0.55 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 57.06 1kvi h ASP 67 Cb 0.95 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 1kvi h ASP 67 CO -0.32 0.27 -0.53 -0.78 -1.61 0.00 0.00 179.24 176.27 1kvi h ASP 68 N 0.00 0.23 0.00 2.28 3.58 0.23 -3.32 116.42 119.43 1kvi h ASP 68 Ca -0.00 -0.12 -0.22 0.00 0.42 0.00 0.00 57.03 57.11 1kvi h ASP 68 Cb 0.66 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 1kvi h ASP 68 CO 0.04 0.73 -1.20 -0.03 -2.88 0.00 0.00 179.24 175.89 1kvi h MET 69 N 0.17 0.00 0.00 0.28 4.05 -1.06 -3.49 114.93 114.87 1kvi h MET 69 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1kvi h MET 69 Cb 1.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1kvi h MET 69 CO 0.08 0.95 0.00 0.41 0.23 0.00 0.00 176.91 178.58 1kvi n GLY 70 N 1.45 1.20 3.59 1.39 0.00 0.02 -5.06 105.19 107.78 1kvi n GLY 70 Ca -0.31 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.10 1kvi n GLY 70 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kvi n PHE 71 N 0.00 1.68 -1.62 1.61 3.72 -1.25 -4.68 117.46 116.91 1kvi n PHE 71 Ca 0.00 0.82 -0.15 0.00 -0.05 0.00 0.00 57.45 58.07 1kvi n PHE 71 Cb 0.00 -2.33 -0.10 0.00 -0.94 0.00 0.00 39.48 36.11 1kvi n PHE 71 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1kvi s ASP 72 N 4.26 3.66 -0.03 4.37 1.11 -1.26 -4.84 116.67 123.94 1kvi s ASP 72 Ca 1.07 -0.67 0.04 0.00 0.18 0.00 0.00 52.55 53.17 1kvi s ASP 72 Cb -1.33 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 40.07 1kvi s ASP 72 CO 0.71 -4.39 -0.13 0.00 1.18 0.00 0.00 175.17 172.53 1kvi s ALA 73 N 16.00 1.17 -0.08 5.23 0.00 -1.26 -3.51 121.76 139.31 1kvi s ALA 73 Ca 0.84 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1kvi s ALA 73 Cb -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1kvi s ALA 73 CO 0.14 0.23 -0.21 0.54 0.00 0.00 0.00 175.76 176.47 1kvi s VAL 74 N -0.03 2.41 0.77 0.00 0.11 -0.83 -4.91 120.40 117.91 1kvi s VAL 74 Ca -0.00 -0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 58.01 1kvi s VAL 74 Cb -0.08 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.89 1kvi s VAL 74 CO 0.01 0.56 1.08 -0.63 -3.33 0.00 0.00 175.10 172.79 1kvi s ILE 75 N -0.05 3.40 -0.09 7.04 1.01 -1.26 -0.23 121.20 131.01 1kvi s ILE 75 Ca -0.06 0.45 0.13 0.00 0.00 0.00 0.00 60.65 61.18 1kvi s ILE 75 Cb -0.14 -3.15 0.27 0.00 0.01 0.00 0.00 42.46 39.45 1kvi s ILE 75 CO 0.05 -0.59 1.13 1.41 0.00 0.00 0.00 174.94 176.93 1kvi n HIS 76 N -3.38 0.00 -2.89 3.97 8.25 0.66 -4.81 115.22 117.03 1kvi n HIS 76 Ca 0.07 -0.78 -0.01 0.00 -0.26 0.00 0.00 57.72 56.75 1kvi n HIS 76 Cb 0.55 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.52 1kvi n HIS 76 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1kvi s ASN 77 N -2.34 -0.98 0.00 0.41 2.47 -1.26 -4.89 114.94 108.35 1kvi s ASN 77 Ca 0.25 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 52.75 1kvi s ASN 77 Cb 0.24 1.27 0.00 0.00 -1.45 0.00 0.00 41.25 41.31 1kvi s ASN 77 CO -0.03 -0.08 0.00 -0.81 -3.72 0.00 0.00 177.10 172.46 1kvi n PRO 78 N 3.54 0.00 0.00 0.43 -0.04 -1.26 -4.75 135.00 132.91 1kvi n PRO 78 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1kvi n PRO 78 Cb 0.60 -0.15 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 1kvi n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99