#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s VAL 2 N 0.00 0.12 0.01 0.00 -7.23 -1.26 -5.10 120.40 106.94 3kcr s VAL 2 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3kcr s VAL 2 Cb 0.00 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 3kcr s VAL 2 CO 0.00 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 176.55 3kcr s GLN 3 N -4.06 4.17 -0.12 4.82 -2.07 -1.26 -4.86 119.66 116.29 3kcr s GLN 3 Ca 0.39 2.38 0.15 0.00 -1.82 0.00 0.00 55.36 56.46 3kcr s GLN 3 Cb 0.07 -3.94 0.54 0.00 -1.09 0.00 0.00 33.01 28.59 3kcr s GLN 3 CO 0.14 -0.86 1.45 1.04 -1.32 0.00 0.00 175.29 175.75 3kcr n GLN 4 N 6.86 3.27 -4.22 9.60 6.02 -1.26 -4.91 117.38 132.74 3kcr n GLN 4 Ca 0.18 -2.67 -0.20 0.00 -0.01 0.00 0.00 57.00 54.30 3kcr n GLN 4 Cb 0.41 -1.74 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 3kcr n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kcr n ASN 5 N 0.24 -0.60 -4.10 1.08 2.85 -1.26 -5.18 115.26 108.30 3kcr n ASN 5 Ca 0.20 -3.17 -0.20 0.00 -0.11 0.00 0.00 54.58 51.30 3kcr n ASN 5 Cb 0.79 1.62 -0.14 0.00 1.24 0.00 0.00 39.78 43.29 3kcr n ASN 5 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3kcr s LYS 6 N -3.35 0.96 0.12 1.20 2.20 -1.26 -5.14 119.74 114.46 3kcr s LYS 6 Ca 0.38 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 3kcr s LYS 6 Cb 0.02 -0.93 -0.04 0.00 -1.51 0.00 0.00 37.83 35.37 3kcr s LYS 6 CO 0.27 0.25 0.09 -1.25 -0.36 0.00 0.00 175.35 174.35 3kcr s PRO 7 N -0.60 2.84 0.41 4.03 0.04 -1.26 -5.08 135.00 135.38 3kcr s PRO 7 Ca 0.03 -0.80 -0.25 0.00 0.04 0.00 0.00 61.00 60.02 3kcr s PRO 7 Cb -0.06 -2.66 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 3kcr s PRO 7 CO 0.00 0.52 1.25 -0.08 0.04 0.00 0.00 177.00 178.74 3kcr s THR 8 N -1.55 2.80 0.04 1.26 -1.32 -1.26 -4.94 115.64 110.67 3kcr s THR 8 Ca 0.30 0.69 0.16 0.00 -1.21 0.00 0.00 61.69 61.63 3kcr s THR 8 Cb -0.11 -3.40 0.08 0.00 -1.51 0.00 0.00 72.50 67.56 3kcr s THR 8 CO 0.22 0.08 1.59 0.03 -2.21 0.00 0.00 174.62 174.33 3kcr h ARG 9 N 2.59 0.00 -0.45 7.08 -0.00 -1.99 -2.96 114.38 118.64 3kcr h ARG 9 Ca -0.49 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 58.91 3kcr h ARG 9 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.19 3kcr h ARG 9 CO 0.62 0.48 -0.04 1.03 0.00 0.00 0.00 179.97 182.06 3kcr h SER 10 N 0.00 0.74 -0.27 7.04 0.87 -1.99 -1.08 113.55 118.86 3kcr h SER 10 Ca -0.00 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.23 3kcr h SER 10 Cb 1.16 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3kcr h SER 10 CO 0.06 0.83 -0.31 0.50 -0.53 0.00 0.00 176.83 177.38 3kcr h LYS 11 N 0.71 0.78 -0.23 2.24 3.64 -1.93 -2.17 116.57 119.61 3kcr h LYS 11 Ca 0.13 -0.36 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 3kcr h LYS 11 Cb 0.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3kcr h LYS 11 CO 0.02 0.98 -0.58 0.00 -2.27 0.00 0.00 179.45 177.61 3kcr h ARG 12 N 0.66 0.79 -0.22 1.90 3.08 -1.16 -0.52 114.38 118.91 3kcr h ARG 12 Ca 0.07 -0.55 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 3kcr h ARG 12 Cb 0.84 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3kcr h ARG 12 CO 0.07 1.17 0.05 0.78 -1.07 0.00 0.00 179.97 180.98 3kcr h GLY 13 N 0.54 0.34 1.99 0.04 0.00 -1.39 -2.82 103.07 101.76 3kcr h GLY 13 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3kcr h GLY 13 CO 0.13 0.15 -0.02 -0.33 0.00 0.00 0.00 176.54 176.46 3kcr h MET 14 N 0.31 0.01 0.00 4.80 2.86 -0.44 0.14 114.93 122.62 3kcr h MET 14 Ca 0.08 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3kcr h MET 14 Cb 0.13 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3kcr h MET 14 CO -0.00 0.04 -0.39 0.00 1.06 0.00 0.00 176.91 177.62 3kcr h ARG 15 N 0.02 0.00 -0.43 1.72 3.08 -1.09 -3.10 114.38 114.58 3kcr h ARG 15 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kcr h ARG 15 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kcr h ARG 15 CO 0.00 0.32 0.00 0.54 -1.07 0.00 0.00 179.97 179.77 3kcr n ARG 16 N -3.16 3.34 -0.14 0.04 1.74 -0.62 -4.44 116.66 113.42 3kcr n ARG 16 Ca 0.02 -2.69 -0.11 0.00 -0.77 0.00 0.00 57.85 54.30 3kcr n ARG 16 Cb 0.67 -1.76 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 3kcr n ARG 16 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kcr h SER 17 N 2.75 0.99 -0.42 0.55 4.64 -0.93 -3.11 113.55 118.01 3kcr h SER 17 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kcr h SER 17 Cb 1.32 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kcr h SER 17 CO 0.20 1.17 0.00 1.41 -0.87 0.00 0.00 176.83 178.74 3kcr n HIS 18 N -4.10 1.05 -3.69 4.77 8.25 -1.26 -4.93 115.22 115.31 3kcr n HIS 18 Ca -0.00 -0.41 -0.36 0.00 -0.26 0.00 0.00 57.72 56.69 3kcr n HIS 18 Cb 0.47 -0.21 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 3kcr n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kcr s ASP 19 N -0.72 6.40 0.19 0.41 -0.00 -1.18 -5.06 116.67 116.71 3kcr s ASP 19 Ca 0.34 0.47 -0.23 0.00 -0.00 0.00 0.00 52.55 53.14 3kcr s ASP 19 Cb 0.23 -2.13 0.07 0.00 -0.00 0.00 0.00 42.92 41.09 3kcr s ASP 19 CO 0.15 0.24 0.98 0.00 -0.00 0.00 0.00 175.17 176.55 3kcr s ALA 20 N -0.18 -1.53 0.28 5.23 0.00 -1.26 -5.09 121.76 119.20 3kcr s ALA 20 Ca 0.14 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 3kcr s ALA 20 Cb -0.13 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3kcr s ALA 20 CO 0.03 -1.05 0.69 -0.48 0.00 0.00 0.00 175.76 174.95 3kcr s LEU 21 N -3.18 -0.15 0.32 0.00 2.34 -1.26 -5.20 118.68 111.55 3kcr s LEU 21 Ca 0.17 -0.71 -0.01 0.00 0.06 0.00 0.00 54.13 53.65 3kcr s LEU 21 Cb -0.02 2.60 -0.01 0.00 -0.56 0.00 0.00 46.19 48.20 3kcr s LEU 21 CO 0.05 -1.35 0.40 -0.89 -1.06 0.00 0.00 176.35 173.50 3kcr s THR 22 N -3.79 0.00 0.00 5.48 2.01 -1.26 -5.14 115.64 112.94 3kcr s THR 22 Ca 0.13 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.42 3kcr s THR 22 Cb -0.05 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.89 3kcr s THR 22 CO 0.08 0.00 0.13 0.00 -0.69 0.00 0.00 174.62 174.14 3kcr n ALA 23 N -0.54 1.00 -1.29 7.40 0.00 -1.26 -4.99 120.51 120.83 3kcr n ALA 23 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3kcr n ALA 23 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3kcr n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kcr n VAL 24 N 0.00 0.00 -3.50 0.00 0.24 -1.26 -4.94 118.33 108.87 3kcr n VAL 24 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 3kcr n VAL 24 Cb 0.50 1.15 0.05 0.00 -1.47 0.00 0.00 33.84 34.07 3kcr n VAL 24 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kcr n THR 25 N 0.00 -7.17 -4.55 3.34 -2.24 -1.26 -3.11 114.28 99.29 3kcr n THR 25 Ca 0.00 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3kcr n THR 25 Cb 0.34 -5.23 0.00 0.00 -2.10 0.00 0.00 70.33 63.34 3kcr n THR 25 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kcr n SER 26 N -2.94 0.00 -4.86 3.42 7.64 -1.26 -4.47 113.62 111.15 3kcr n SER 26 Ca -0.10 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.46 3kcr n SER 26 Cb 0.61 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 3kcr n SER 26 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kcr s LEU 27 N 0.00 3.88 0.05 -3.43 1.43 -1.26 -4.79 118.68 114.56 3kcr s LEU 27 Ca 0.00 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 3kcr s LEU 27 Cb 0.00 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 3kcr s LEU 27 CO 0.00 -0.36 -0.12 -0.55 0.23 0.00 0.00 176.35 175.54 3kcr s SER 28 N -2.78 1.43 0.23 2.29 0.15 -1.26 -4.44 113.70 109.33 3kcr s SER 28 Ca 0.54 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.69 3kcr s SER 28 Cb -0.10 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.12 3kcr s SER 28 CO 0.25 -0.08 -0.05 -0.69 1.20 0.00 0.00 173.24 173.87 3kcr s VAL 29 N -1.17 1.29 0.13 4.45 1.01 -1.05 -3.16 120.40 121.90 3kcr s VAL 29 Ca -0.03 -2.08 0.08 0.00 0.00 0.00 0.00 61.98 59.95 3kcr s VAL 29 Cb -0.09 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kcr s VAL 29 CO 0.02 -0.42 -0.18 -1.81 0.00 0.00 0.00 175.10 172.71 3kcr s ASP 30 N -3.32 2.42 -0.00 3.32 -0.00 -1.24 -4.61 116.67 113.24 3kcr s ASP 30 Ca 0.26 -0.77 0.21 0.00 -0.00 0.00 0.00 52.55 52.25 3kcr s ASP 30 Cb 0.04 -0.13 -0.23 0.00 -0.00 0.00 0.00 42.92 42.61 3kcr s ASP 30 CO 0.08 -0.03 0.89 2.29 -0.00 0.00 0.00 175.17 178.40 3kcr n LYS 31 N 0.69 0.08 -0.03 8.23 2.85 -1.26 -1.64 118.16 127.08 3kcr n LYS 31 Ca -0.16 -0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.12 3kcr n LYS 31 Cb 0.56 -1.49 0.04 0.00 -0.65 0.00 0.00 35.03 33.49 3kcr n LYS 31 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kcr n THR 32 N -1.50 0.34 0.00 0.58 -2.24 -1.26 -4.91 114.28 105.29 3kcr n THR 32 Ca 0.04 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3kcr n THR 32 Cb 0.33 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3kcr n THR 32 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kcr n SER 33 N 0.24 0.00 0.00 3.42 7.64 -1.20 -4.84 113.62 118.87 3kcr n SER 33 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3kcr n SER 33 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3kcr n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcr n GLY 34 N 0.00 0.20 3.72 0.23 0.00 -0.65 -4.54 105.19 104.15 3kcr n GLY 34 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kcr n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kcr n GLU 35 N 0.00 2.66 -3.38 1.61 2.13 -1.26 -3.81 120.64 118.58 3kcr n GLU 35 Ca 0.00 0.95 -0.38 0.00 0.66 0.00 0.00 57.16 58.39 3kcr n GLU 35 Cb 0.02 -2.76 -0.07 0.00 0.27 0.00 0.00 31.44 28.89 3kcr n GLU 35 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3kcr s LYS 36 N 0.51 4.19 0.00 5.31 2.20 -1.19 -2.52 119.74 128.24 3kcr s LYS 36 Ca 0.71 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 3kcr s LYS 36 Cb -0.53 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 3kcr s LYS 36 CO 0.39 -0.03 0.00 -2.39 -0.36 0.00 0.00 175.35 172.96 3kcr n HIS 37 N 4.42 -0.49 0.00 4.03 1.44 -1.26 -4.92 115.22 118.44 3kcr n HIS 37 Ca -0.08 0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3kcr n HIS 37 Cb 0.51 0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.75 3kcr n HIS 37 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3kcr n LEU 38 N -2.17 0.00 -4.73 2.39 7.94 -1.18 -4.40 117.00 114.85 3kcr n LEU 38 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 3kcr n LEU 38 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 3kcr n LEU 38 CO 0.00 0.00 0.78 -0.13 -1.11 0.00 0.00 177.39 176.93 3kcr s ARG 39 N 0.00 2.21 -0.83 1.96 0.52 -1.26 -3.47 118.95 118.08 3kcr s ARG 39 Ca 0.00 1.67 -0.17 0.00 -0.52 0.00 0.00 55.73 56.71 3kcr s ARG 39 Cb 0.00 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.64 3kcr s ARG 39 CO 0.00 -1.76 0.51 0.72 0.02 0.00 0.00 175.30 174.79 3kcr n HIS 40 N -2.74 -1.27 -3.81 -0.53 8.25 -1.26 -4.97 115.22 108.88 3kcr n HIS 40 Ca 0.13 0.28 -0.12 0.00 -0.26 0.00 0.00 57.72 57.75 3kcr n HIS 40 Cb 0.51 -2.14 -0.10 0.00 1.12 0.00 0.00 29.99 29.37 3kcr n HIS 40 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kcr s HIS 41 N -3.41 -0.14 -0.22 4.41 5.04 -1.23 -5.11 115.29 114.64 3kcr s HIS 41 Ca 0.23 0.27 -0.29 0.00 -1.54 0.00 0.00 55.06 53.73 3kcr s HIS 41 Cb -0.13 0.04 -0.00 0.00 0.04 0.00 0.00 32.58 32.54 3kcr s HIS 41 CO 0.74 -0.26 1.17 0.42 -2.34 0.00 0.00 174.74 174.47 3kcr s ILE 42 N -0.81 4.42 1.20 0.89 1.01 -1.26 -4.65 121.20 121.99 3kcr s ILE 42 Ca -0.09 1.70 -0.18 0.00 0.00 0.00 0.00 60.65 62.08 3kcr s ILE 42 Cb -0.05 -4.17 0.28 0.00 0.01 0.00 0.00 42.46 38.53 3kcr s ILE 42 CO 0.02 -0.24 1.07 0.42 0.00 0.00 0.00 174.94 176.21 3kcr s THR 43 N 3.54 1.66 -2.48 2.92 -4.23 -1.08 -4.82 115.64 111.15 3kcr s THR 43 Ca 0.50 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.28 3kcr s THR 43 Cb -0.18 -2.38 0.45 0.00 1.34 0.00 0.00 72.50 71.73 3kcr s THR 43 CO 0.13 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 175.85 3kcr n ALA 44 N -4.81 2.64 1.06 3.99 0.00 -1.26 -1.17 120.51 120.96 3kcr n ALA 44 Ca 0.10 -0.48 0.09 0.00 0.00 0.00 0.00 53.44 53.15 3kcr n ALA 44 Cb 0.59 -1.10 0.29 0.00 0.00 0.00 0.00 19.45 19.23 3kcr n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kcr n ASP 45 N 0.25 1.81 -1.40 0.00 8.00 -1.26 -4.86 116.55 119.09 3kcr n ASP 45 Ca 0.17 -1.83 -0.13 0.00 0.71 0.00 0.00 54.79 53.72 3kcr n ASP 45 Cb 0.39 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 3kcr n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kcr n GLY 46 N 1.12 0.01 2.91 0.44 0.00 -0.31 -4.41 105.19 104.94 3kcr n GLY 46 Ca 0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3kcr n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcr s TYR 47 N -2.62 2.81 0.00 1.61 4.12 -1.25 -2.58 117.35 119.45 3kcr s TYR 47 Ca 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 57.07 54.75 3kcr s TYR 47 Cb 0.00 -2.25 0.00 0.00 -1.52 0.00 0.00 41.96 38.19 3kcr s TYR 47 CO 0.00 -0.89 0.00 0.98 0.02 0.00 0.00 175.55 175.66 3kcr n TYR 48 N 4.53 0.00 -0.37 2.71 9.36 -1.26 -2.64 117.16 129.50 3kcr n TYR 48 Ca -0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.16 3kcr n TYR 48 Cb 0.42 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.34 3kcr n TYR 48 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3kcr n ARG 49 N 0.00 2.82 0.00 2.98 1.85 -1.26 -4.49 116.66 118.56 3kcr n ARG 49 Ca 0.00 -2.07 0.00 0.00 -1.00 0.00 0.00 57.85 54.78 3kcr n ARG 49 Cb 0.00 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.50 3kcr n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kcr n GLY 50 N -0.04 1.02 0.54 2.89 0.00 -1.26 -4.94 105.19 103.40 3kcr n GLY 50 Ca 0.28 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.90 3kcr n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr n ARG 51 N 0.00 -1.11 -0.31 1.61 1.74 -1.26 -4.03 116.66 113.30 3kcr n ARG 51 Ca 0.00 0.76 0.09 0.00 -0.77 0.00 0.00 57.85 57.94 3kcr n ARG 51 Cb 0.00 -1.34 0.26 0.00 -1.02 0.00 0.00 32.46 30.36 3kcr n ARG 51 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3kcr n LYS 52 N -2.51 2.39 -1.49 5.56 2.85 -1.26 -4.60 118.16 119.10 3kcr n LYS 52 Ca -0.00 -2.11 -0.36 0.00 -1.05 0.00 0.00 58.31 54.78 3kcr n LYS 52 Cb 0.25 -1.47 0.08 0.00 -0.65 0.00 0.00 35.03 33.24 3kcr n LYS 52 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3kcr n VAL 53 N 1.20 3.51 0.00 0.58 0.24 -1.07 -1.96 118.33 120.83 3kcr n VAL 53 Ca 0.20 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3kcr n VAL 53 Cb 0.50 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 3kcr n VAL 53 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kcr n ILE 54 N -2.26 0.00 -1.16 1.34 2.08 -1.26 -2.84 119.36 115.25 3kcr n ILE 54 Ca 0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.45 3kcr n ILE 54 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 3kcr n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kcr n ALA 55 N 0.18 0.00 0.35 -1.39 0.00 -1.13 -5.09 120.51 113.43 3kcr n ALA 55 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3kcr n ALA 55 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3kcr n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13