#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 -0.45 0.00 7.83 8.00 -1.26 -4.64 116.55 126.03 1kvi n ASP 2 Ca 0.00 -0.15 0.12 0.00 0.71 0.00 0.00 54.79 55.47 1kvi n ASP 2 Cb 0.00 -0.46 0.62 0.00 -0.02 0.00 0.00 41.12 41.26 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 4.48 0.41 0.00 -0.24 -0.04 -1.26 -3.94 135.00 134.41 1kvi n PRO 3 Ca 0.44 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1kvi n PRO 3 Cb 0.06 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1kvi n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1kvi n SER 4 N -1.23 0.00 -4.18 3.54 3.41 -1.26 -4.92 113.62 108.98 1kvi n SER 4 Ca 0.12 0.35 -0.31 0.00 -0.26 0.00 0.00 58.87 58.78 1kvi n SER 4 Cb 0.17 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 1kvi n SER 4 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1kvi n MET 5 N -1.63 -2.30 0.00 4.33 2.81 -1.25 -4.47 117.12 114.61 1kvi n MET 5 Ca 0.00 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1kvi n MET 5 Cb 0.00 -4.36 0.00 0.00 -0.71 0.00 0.00 33.22 28.15 1kvi n MET 5 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kvi n GLY 6 N -1.97 0.06 3.73 3.03 0.00 -1.26 -5.12 105.19 103.66 1kvi n GLY 6 Ca -0.20 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.12 2.59 0.31 1.61 -7.23 -1.26 -4.27 120.40 111.03 1kvi s VAL 7 Ca 0.00 0.46 0.02 0.00 -1.81 0.00 0.00 61.98 60.64 1kvi s VAL 7 Cb 0.00 -3.29 0.06 0.00 0.56 0.00 0.00 36.38 33.71 1kvi s VAL 7 CO 0.00 0.05 0.42 0.59 -0.31 0.00 0.00 175.10 175.85 1kvi n ASN 8 N 3.15 0.76 -3.99 4.85 4.13 -0.83 -4.79 115.26 118.54 1kvi n ASN 8 Ca 0.10 -1.59 -0.22 0.00 1.68 0.00 0.00 54.58 54.55 1kvi n ASN 8 Cb 0.39 -0.25 -0.16 0.00 -1.54 0.00 0.00 39.78 38.22 1kvi n ASN 8 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1kvi s SER 9 N -2.77 1.37 -0.07 6.41 1.04 -1.26 -1.44 113.70 116.99 1kvi s SER 9 Ca 0.29 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1kvi s SER 9 Cb -0.02 -0.55 0.01 0.00 0.10 0.00 0.00 66.02 65.57 1kvi s SER 9 CO 0.19 0.03 -0.12 -0.69 0.98 0.00 0.00 173.24 173.63 1kvi s VAL 10 N 0.54 1.14 0.25 5.02 1.01 0.57 -4.97 120.40 123.96 1kvi s VAL 10 Ca -0.10 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.50 1kvi s VAL 10 Cb -0.13 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1kvi s VAL 10 CO 0.02 0.36 0.02 0.42 0.00 0.00 0.00 175.10 175.91 1kvi s THR 11 N 0.75 3.58 0.04 3.92 -4.23 -1.26 -2.13 115.64 116.32 1kvi s THR 11 Ca -0.13 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1kvi s THR 11 Cb -0.16 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1kvi s THR 11 CO 0.03 -0.34 -0.03 0.27 -0.54 0.00 0.00 174.62 174.01 1kvi s ILE 12 N -2.23 0.21 0.61 2.99 -5.25 -0.51 0.11 121.20 117.13 1kvi s ILE 12 Ca 0.31 -1.59 -0.04 0.00 -0.99 0.00 0.00 60.65 58.35 1kvi s ILE 12 Cb -0.07 -1.21 0.03 0.00 2.95 0.00 0.00 42.46 44.16 1kvi s ILE 12 CO 0.20 -0.87 0.88 -0.44 -1.79 0.00 0.00 174.94 172.93 1kvi s SER 13 N -2.56 5.24 0.01 4.36 0.01 0.25 -1.84 113.70 119.17 1kvi s SER 13 Ca 0.01 0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.64 1kvi s SER 13 Cb 0.03 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.02 1kvi s SER 13 CO -0.08 -1.25 -0.02 -0.69 0.41 0.00 0.00 173.24 171.62 1kvi s VAL 14 N -2.98 0.08 -0.20 3.43 1.01 -0.71 -2.02 120.40 119.01 1kvi s VAL 14 Ca 0.57 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1kvi s VAL 14 Cb -0.10 -0.20 0.19 0.00 0.00 0.00 0.00 36.38 36.26 1kvi s VAL 14 CO 0.42 -0.37 1.03 -0.62 0.00 0.00 0.00 175.10 175.56 1kvi n GLU 15 N 1.97 0.63 0.00 2.72 1.02 -0.82 -4.76 120.64 121.39 1kvi n GLU 15 Ca -0.21 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1kvi n GLU 15 Cb 0.56 0.15 0.00 0.00 -0.02 0.00 0.00 31.44 32.13 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 -0.69 0.06 3.29 0.62 0.00 -1.26 -4.85 105.19 102.35 1kvi n GLY 16 Ca -0.11 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1kvi n GLY 16 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1kvi n MET 17 N -0.50 0.13 0.00 1.61 0.00 -1.26 -4.90 117.12 112.20 1kvi n MET 17 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1kvi n MET 17 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.00 1kvi n MET 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1kvi n THR 18 N -1.72 0.00 -0.07 3.17 -1.04 -1.26 -4.92 114.28 108.45 1kvi n THR 18 Ca 0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.02 1kvi n THR 18 Cb 0.48 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.55 0.22 0.32 0.00 2.85 -1.26 -4.71 115.26 110.12 1kvi n ASN 20 Ca -0.22 0.07 0.11 0.00 -0.11 0.00 0.00 54.58 54.42 1kvi n ASN 20 Cb 0.91 -0.04 0.58 0.00 1.24 0.00 0.00 39.78 42.47 1kvi n ASN 20 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1kvi h SER 21 N 0.00 0.00 0.00 1.20 0.87 -1.95 -2.61 113.55 111.07 1kvi h SER 21 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1kvi h SER 21 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1kvi h SER 21 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1kvi h VAL 23 N 0.00 1.21 -0.21 0.00 3.04 -1.89 -2.88 116.25 115.52 1kvi h VAL 23 Ca 0.00 -2.96 -0.01 0.00 -1.01 0.00 0.00 66.70 62.72 1kvi h VAL 23 Cb 0.00 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1kvi h VAL 23 CO 0.00 0.74 0.09 -0.50 -1.01 0.00 0.00 177.57 176.90 1kvi h TRP 24 N 0.02 0.27 0.13 3.17 6.55 -1.59 3.21 115.95 127.71 1kvi h TRP 24 Ca -0.19 -0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.48 1kvi h TRP 24 Cb 1.93 -0.09 0.02 0.00 -0.86 0.00 0.00 29.16 30.16 1kvi h TRP 24 CO 0.02 0.21 -0.79 1.15 -1.05 0.00 0.00 178.44 177.98 1kvi h THR 25 N 0.29 1.51 0.77 1.49 2.02 -1.44 -2.52 112.91 115.02 1kvi h THR 25 Ca 0.07 -2.52 -0.04 0.00 0.77 0.00 0.00 66.41 64.70 1kvi h THR 25 Cb 0.04 3.19 0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1kvi h THR 25 CO -0.01 0.71 -0.37 0.40 0.37 0.00 0.00 175.52 176.62 1kvi h ILE 26 N -0.42 0.09 -0.97 3.11 2.04 -1.13 -2.47 117.51 117.76 1kvi h ILE 26 Ca -0.14 -0.20 0.32 0.00 1.00 0.00 0.00 64.86 65.84 1kvi h ILE 26 Cb 1.60 0.11 -0.16 0.00 -0.74 0.00 0.00 36.82 37.63 1kvi h ILE 26 CO 0.13 0.01 0.41 -0.08 0.00 0.00 0.00 178.15 178.62 1kvi h GLU 27 N -1.22 0.16 -0.68 2.37 4.81 0.57 0.85 114.58 121.44 1kvi h GLU 27 Ca -0.11 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1kvi h GLU 27 Cb 0.81 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 1kvi h GLU 27 CO 0.17 0.10 0.39 0.37 -0.73 0.00 0.00 179.01 179.32 1kvi h GLN 28 N 0.16 0.71 0.18 1.92 4.15 -1.01 0.68 115.11 121.91 1kvi h GLN 28 Ca 0.71 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.08 1kvi h GLN 28 Cb 1.65 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1kvi h GLN 28 CO -0.71 0.47 -0.09 1.96 -1.93 0.00 0.00 178.83 178.54 1kvi h GLN 29 N 0.73 -0.23 -0.92 1.69 4.20 0.11 -0.14 115.11 120.54 1kvi h GLN 29 Ca 0.30 0.02 0.22 0.00 0.06 0.00 0.00 58.65 59.24 1kvi h GLN 29 Cb 0.14 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 1kvi h GLN 29 CO -0.16 -0.15 0.61 -0.84 -0.67 0.00 0.00 178.83 177.62 1kvi h ILE 30 N -0.76 0.64 0.00 2.54 3.07 -1.12 1.54 117.51 123.42 1kvi h ILE 30 Ca -0.02 -0.12 -0.04 0.00 1.55 0.00 0.00 64.86 66.22 1kvi h ILE 30 Cb 0.18 0.25 -0.01 0.00 -0.27 0.00 0.00 36.82 36.98 1kvi h ILE 30 CO 0.04 0.07 -0.20 1.23 -1.05 0.00 0.00 178.15 178.24 1kvi h GLY 31 N 0.36 0.00 -2.08 0.16 0.00 0.34 -2.98 103.07 98.87 1kvi h GLY 31 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1kvi h GLY 31 CO -0.17 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.54 1kvi n LYS 32 N -3.20 2.34 0.00 4.80 4.81 0.44 -4.65 118.16 122.71 1kvi n LYS 32 Ca 0.02 -2.10 0.00 0.00 -0.87 0.00 0.00 58.31 55.36 1kvi n LYS 32 Cb 0.55 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1kvi n LYS 32 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1kvi n VAL 33 N 1.38 0.00 0.00 3.15 0.31 0.33 -5.00 118.33 118.50 1kvi n VAL 33 Ca 0.17 1.18 0.00 0.00 -0.01 0.00 0.00 64.34 65.67 1kvi n VAL 33 Cb 0.58 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1kvi n VAL 33 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1kvi n ASN 34 N -1.03 0.00 0.21 4.52 5.15 -1.26 -4.95 115.26 117.90 1kvi n ASN 34 Ca 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.05 1kvi n ASN 34 Cb 0.00 0.03 0.46 0.00 -0.53 0.00 0.00 39.78 39.74 1kvi n ASN 34 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1kvi h GLY 35 N 0.00 0.00 -5.80 8.20 0.00 -1.91 -3.44 103.07 100.12 1kvi h GLY 35 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1kvi h GLY 35 CO 0.00 0.00 0.83 3.33 0.00 0.00 0.00 176.54 180.70 1kvi n VAL 36 N -3.72 0.26 -0.57 4.60 0.24 -1.26 -2.92 118.33 114.97 1kvi n VAL 36 Ca -0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1kvi n VAL 36 Cb 0.39 -1.34 0.01 0.00 -1.47 0.00 0.00 33.84 31.44 1kvi n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kvi n HIS 37 N 4.76 0.00 -3.63 6.34 1.44 -1.26 -4.89 115.22 117.99 1kvi n HIS 37 Ca 0.22 -0.28 -0.07 0.00 -2.01 0.00 0.00 57.72 55.58 1kvi n HIS 37 Cb 0.21 -0.03 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 1kvi n HIS 37 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1kvi s HIS 38 N -0.61 -0.30 0.01 -1.40 5.65 -1.26 -5.06 115.29 112.32 1kvi s HIS 38 Ca 0.01 0.67 -0.02 0.00 0.25 0.00 0.00 55.06 55.97 1kvi s HIS 38 Cb 0.01 0.43 -0.01 0.00 -1.18 0.00 0.00 32.58 31.83 1kvi s HIS 38 CO 0.00 -0.19 0.01 0.42 -0.65 0.00 0.00 174.74 174.34 1kvi s ILE 39 N -0.30 0.10 -0.21 0.89 1.09 -1.26 -2.56 121.20 118.95 1kvi s ILE 39 Ca 0.04 -0.82 -0.04 0.00 -1.10 0.00 0.00 60.65 58.73 1kvi s ILE 39 Cb -0.03 -0.29 0.09 0.00 -1.06 0.00 0.00 42.46 41.16 1kvi s ILE 39 CO -0.07 -0.45 0.21 -0.75 -0.10 0.00 0.00 174.94 173.78 1kvi s LYS 40 N -1.38 0.19 -0.01 2.79 2.36 0.06 -4.95 119.74 118.80 1kvi s LYS 40 Ca -0.15 0.09 0.06 0.00 -2.55 0.00 0.00 55.97 53.42 1kvi s LYS 40 Cb -0.09 -1.24 -0.01 0.00 -1.05 0.00 0.00 37.83 35.44 1kvi s LYS 40 CO -0.00 -0.71 -0.18 0.54 1.55 0.00 0.00 175.35 176.54 1kvi s VAL 41 N 2.29 1.45 0.12 4.02 0.11 -1.26 0.24 120.40 127.38 1kvi s VAL 41 Ca 0.07 -0.81 0.07 0.00 -2.93 0.00 0.00 61.98 58.38 1kvi s VAL 41 Cb -0.16 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 1kvi s VAL 41 CO -0.15 0.39 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.99 1kvi s SER 42 N -0.49 4.47 0.00 3.54 1.04 -0.90 -5.01 113.70 116.35 1kvi s SER 42 Ca 0.07 -0.39 0.17 0.00 0.48 0.00 0.00 55.95 56.27 1kvi s SER 42 Cb -0.07 -0.87 0.05 0.00 0.10 0.00 0.00 66.02 65.23 1kvi s SER 42 CO -0.01 0.16 0.93 -0.11 0.98 0.00 0.00 173.24 175.20 1kvi n LEU 43 N 0.53 1.94 -0.09 2.42 0.00 -1.26 -3.76 117.00 116.78 1kvi n LEU 43 Ca -0.13 -0.85 -0.11 0.00 0.00 0.00 0.00 56.01 54.93 1kvi n LEU 43 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.82 1kvi n LEU 43 CO 0.34 0.36 -1.12 -0.62 0.00 0.00 0.00 177.39 176.35 1kvi n GLU 44 N 0.29 0.97 0.00 1.96 1.02 -1.26 -4.41 120.64 119.21 1kvi n GLU 44 Ca 0.08 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 1kvi n GLU 44 Cb 0.38 -1.45 0.10 0.00 -0.02 0.00 0.00 31.44 30.44 1kvi n GLU 44 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1kvi n GLU 45 N -2.79 1.53 -3.40 3.49 1.02 -1.26 -5.00 120.64 114.24 1kvi n GLU 45 Ca -0.32 -1.22 -0.16 0.00 -0.02 0.00 0.00 57.16 55.44 1kvi n GLU 45 Cb 1.04 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 31.01 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 0.33 -1.50 -3.82 3.49 5.02 -1.25 -4.87 118.16 115.56 1kvi n LYS 46 Ca 0.12 0.94 -0.08 0.00 -2.02 0.00 0.00 58.31 57.27 1kvi n LYS 46 Cb 0.49 -4.71 0.01 0.00 -0.02 0.00 0.00 35.03 30.79 1kvi n LYS 46 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1kvi s ASN 47 N -3.21 -0.08 -0.07 4.39 0.01 -1.25 -1.74 114.94 112.99 1kvi s ASN 47 Ca 0.23 -0.95 -0.18 0.00 -0.71 0.00 0.00 52.86 51.25 1kvi s ASN 47 Cb -0.06 0.79 0.04 0.00 0.41 0.00 0.00 41.25 42.43 1kvi s ASN 47 CO 0.81 -1.54 0.43 0.00 -1.51 0.00 0.00 177.10 175.29 1kvi s ALA 48 N -2.80 -1.09 -0.30 0.60 0.00 -0.77 -2.12 121.76 115.28 1kvi s ALA 48 Ca 0.14 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1kvi s ALA 48 Cb -0.05 -0.22 0.10 0.00 0.00 0.00 0.00 23.12 22.95 1kvi s ALA 48 CO 0.10 -0.27 0.10 0.99 0.00 0.00 0.00 175.76 176.68 1kvi s THR 49 N -0.76 0.77 0.23 0.00 2.01 0.67 -1.43 115.64 117.13 1kvi s THR 49 Ca -0.08 -1.31 0.11 0.00 0.31 0.00 0.00 61.69 60.72 1kvi s THR 49 Cb -0.04 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1kvi s THR 49 CO 0.04 -0.67 -0.20 -0.51 -0.69 0.00 0.00 174.62 172.59 1kvi s ILE 50 N 1.67 2.51 0.48 1.82 -1.16 -0.90 -0.76 121.20 124.86 1kvi s ILE 50 Ca 0.09 -2.13 0.06 0.00 -0.51 0.00 0.00 60.65 58.17 1kvi s ILE 50 Cb -0.17 -2.26 0.00 0.00 0.61 0.00 0.00 42.46 40.65 1kvi s ILE 50 CO -0.26 -0.23 0.35 0.27 -2.81 0.00 0.00 174.94 172.26 1kvi s ILE 51 N -2.00 2.07 -0.27 2.00 -5.25 -1.06 -0.32 121.20 116.37 1kvi s ILE 51 Ca 0.25 -1.49 -0.15 0.00 -0.99 0.00 0.00 60.65 58.27 1kvi s ILE 51 Cb -0.07 -2.56 0.08 0.00 2.95 0.00 0.00 42.46 42.86 1kvi s ILE 51 CO 0.12 0.00 0.66 -0.72 -1.79 0.00 0.00 174.94 173.22 1kvi s TYR 52 N -2.65 -1.07 -0.20 1.37 1.13 -0.52 -4.36 117.35 111.05 1kvi s TYR 52 Ca 0.39 2.09 -0.29 0.00 -1.41 0.00 0.00 57.07 57.86 1kvi s TYR 52 Cb -0.01 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 41.44 1kvi s TYR 52 CO 0.23 -0.53 1.67 0.34 -2.51 0.00 0.00 175.55 174.75 1kvi s ASP 53 N 1.78 6.34 0.07 -0.18 -1.08 -1.15 -1.96 116.67 120.49 1kvi s ASP 53 Ca -0.09 1.72 -0.18 0.00 -0.52 0.00 0.00 52.55 53.47 1kvi s ASP 53 Cb -0.06 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.75 1kvi s ASP 53 CO -0.19 -1.27 1.39 1.55 0.52 0.00 0.00 175.17 177.16 1kvi h PRO 54 N 10.92 0.49 -1.21 4.34 0.13 -1.74 1.34 132.00 146.26 1kvi h PRO 54 Ca -0.35 -0.25 0.35 0.00 -0.87 0.00 0.00 66.00 64.88 1kvi h PRO 54 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1kvi h PRO 54 CO 0.99 0.82 1.14 1.57 -0.23 0.00 0.00 178.00 182.29 1kvi h LYS 55 N 0.18 0.00 0.00 0.86 2.10 -1.89 -1.15 116.57 116.66 1kvi h LYS 55 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1kvi h LYS 55 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1kvi h LYS 55 CO 0.05 0.00 -0.80 -0.11 -2.00 0.00 0.00 179.45 176.58 1kvi n LEU 56 N -3.57 0.00 0.00 7.07 0.00 -1.11 -5.09 117.00 114.29 1kvi n LEU 56 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1kvi n LEU 56 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.93 1kvi n LEU 56 CO 0.31 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.70 1kvi n GLN 57 N -1.34 1.80 -3.92 1.96 1.13 0.46 -4.92 117.38 112.55 1kvi n GLN 57 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1kvi n GLN 57 Cb 0.11 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.48 1kvi n GLN 57 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1kvi s THR 58 N 0.11 0.00 -0.74 5.09 -4.23 -1.26 -3.98 115.64 110.63 1kvi s THR 58 Ca 0.00 -0.46 0.18 0.00 -1.18 0.00 0.00 61.69 60.23 1kvi s THR 58 Cb 0.00 -2.94 0.18 0.00 1.34 0.00 0.00 72.50 71.08 1kvi s THR 58 CO 0.00 0.00 1.57 -0.81 -0.54 0.00 0.00 174.62 174.84 1kvi n PRO 59 N -0.77 0.09 -0.01 3.99 -0.04 -1.26 -3.06 135.00 133.95 1kvi n PRO 59 Ca -0.01 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1kvi n PRO 59 Cb 0.59 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.08 -0.78 0.54 1.57 -1.99 -2.66 116.57 113.18 1kvi h LYS 60 Ca 0.00 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.96 1kvi h LYS 60 Cb 0.29 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 32.48 1kvi h LYS 60 CO 0.00 0.52 -0.08 1.15 -0.57 0.00 0.00 179.45 180.47 1kvi h THR 61 N -0.79 0.27 -0.21 -0.16 2.02 -1.94 0.45 112.91 112.55 1kvi h THR 61 Ca -0.01 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1kvi h THR 61 Cb 0.63 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1kvi h THR 61 CO 0.01 0.01 0.05 -0.07 0.37 0.00 0.00 175.52 175.89 1kvi h LEU 62 N 0.05 0.03 -1.21 2.58 3.38 -1.66 0.74 115.31 119.22 1kvi h LEU 62 Ca 0.41 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.48 1kvi h LEU 62 Cb 0.69 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1kvi h LEU 62 CO -0.74 0.05 0.56 1.56 0.09 0.00 0.00 178.44 179.96 1kvi h GLN 63 N 0.14 0.90 -0.03 1.13 4.20 0.04 0.44 115.11 121.93 1kvi h GLN 63 Ca 0.09 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 1kvi h GLN 63 Cb 0.08 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1kvi h GLN 63 CO -0.11 0.59 -0.70 1.49 -0.67 0.00 0.00 178.83 179.44 1kvi h GLU 64 N 0.93 0.14 0.45 1.46 4.81 0.99 -2.55 114.58 120.80 1kvi h GLU 64 Ca 0.38 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1kvi h GLU 64 Cb 0.29 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1kvi h GLU 64 CO -0.15 0.78 -0.43 0.00 -0.73 0.00 0.00 179.01 178.48 1kvi h ALA 65 N 1.19 -0.96 -0.70 2.92 0.00 0.27 1.23 119.26 123.21 1kvi h ALA 65 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1kvi h ALA 65 Cb 1.24 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1kvi h ALA 65 CO 0.10 -1.08 0.38 0.82 0.00 0.00 0.00 179.25 179.48 1kvi h ILE 66 N -0.89 1.21 0.00 0.00 2.04 -1.51 0.01 117.51 118.38 1kvi h ILE 66 Ca -0.05 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1kvi h ILE 66 Cb 0.78 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1kvi h ILE 66 CO -0.05 0.24 0.00 -0.67 0.00 0.00 0.00 178.15 177.66 1kvi n ASP 67 N -4.36 0.35 0.07 1.72 -0.08 -0.81 -1.44 116.55 112.00 1kvi n ASP 67 Ca 0.07 0.56 -0.23 0.00 -1.51 0.00 0.00 54.79 53.68 1kvi n ASP 67 Cb 0.10 -0.64 -0.15 0.00 2.34 0.00 0.00 41.12 42.77 1kvi n ASP 67 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1kvi h ASP 68 N 0.00 0.61 0.00 1.67 3.58 0.35 -3.40 116.42 119.22 1kvi h ASP 68 Ca 0.00 -0.92 -0.07 0.00 0.42 0.00 0.00 57.03 56.46 1kvi h ASP 68 Cb 0.46 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1kvi h ASP 68 CO 0.00 1.78 -0.61 0.24 -2.88 0.00 0.00 179.24 177.77 1kvi h MET 69 N 0.11 0.00 0.00 0.28 2.86 -1.38 -3.49 114.93 113.30 1kvi h MET 69 Ca -0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1kvi h MET 69 Cb 2.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.76 1kvi h MET 69 CO 0.18 0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.94 1kvi n GLY 70 N 1.59 1.33 3.40 8.32 0.00 -0.52 -5.10 105.19 114.22 1kvi n GLY 70 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.81 -1.86 1.61 3.72 -1.26 -4.72 117.46 114.14 1kvi n PHE 71 Ca 0.00 0.74 -0.40 0.00 -0.05 0.00 0.00 57.45 57.73 1kvi n PHE 71 Cb 0.00 -1.94 -0.02 0.00 -0.94 0.00 0.00 39.48 36.58 1kvi n PHE 71 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1kvi n ASP 72 N 1.82 3.69 -4.51 4.37 9.92 -1.26 -4.91 116.55 125.68 1kvi n ASP 72 Ca 0.13 -2.80 -0.25 0.00 -0.53 0.00 0.00 54.79 51.34 1kvi n ASP 72 Cb 0.34 -1.56 -0.10 0.00 -0.64 0.00 0.00 41.12 39.16 1kvi n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kvi s ALA 73 N 5.11 2.85 -0.21 2.24 0.00 -1.26 -1.94 121.76 128.55 1kvi s ALA 73 Ca 0.55 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 1kvi s ALA 73 Cb 0.09 -0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.12 1kvi s ALA 73 CO 0.04 0.19 0.20 0.08 0.00 0.00 0.00 175.76 176.27 1kvi s VAL 74 N -2.55 -0.27 0.44 0.00 1.01 -0.85 -4.82 120.40 113.36 1kvi s VAL 74 Ca 0.31 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1kvi s VAL 74 Cb -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 36.38 35.54 1kvi s VAL 74 CO 0.16 -0.27 0.51 2.30 0.00 0.00 0.00 175.10 177.79 1kvi n ILE 75 N 5.31 1.72 -2.35 2.22 -5.35 -1.26 0.85 119.36 120.50 1kvi n ILE 75 Ca -0.05 -0.50 -0.23 0.00 -0.27 0.00 0.00 62.75 61.69 1kvi n ILE 75 Cb 0.49 -0.53 0.01 0.00 -1.74 0.00 0.00 39.64 37.87 1kvi n ILE 75 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1kvi n HIS 76 N -0.99 2.92 -3.75 4.28 -0.00 0.30 -4.69 115.22 113.29 1kvi n HIS 76 Ca 0.11 -2.73 -0.38 0.00 0.46 0.00 0.00 57.72 55.18 1kvi n HIS 76 Cb 0.41 -0.20 -0.12 0.00 -0.12 0.00 0.00 29.99 29.96 1kvi n HIS 76 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1kvi s ASN 77 N -3.54 5.31 0.00 0.26 0.01 -1.26 -4.76 114.94 110.96 1kvi s ASN 77 Ca 0.47 -1.24 -0.20 0.00 -0.71 0.00 0.00 52.86 51.17 1kvi s ASN 77 Cb 0.40 -1.87 -0.22 0.00 0.41 0.00 0.00 41.25 39.98 1kvi s ASN 77 CO -0.09 -0.36 1.12 1.55 -1.51 0.00 0.00 177.10 177.82 1kvi h PRO 78 N 8.21 0.39 0.00 -0.60 0.13 -1.99 -3.52 132.00 134.62 1kvi h PRO 78 Ca -0.22 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1kvi h PRO 78 Cb 1.08 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1kvi h PRO 78 CO 0.62 1.06 0.00 -3.47 -0.23 0.00 0.00 178.00 175.97