#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n LYS 2 N 0.00 0.00 -4.62 -0.52 5.02 -1.26 -5.06 118.16 111.72 3kcr n LYS 2 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 3kcr n LYS 2 Cb 0.00 -0.75 -0.14 0.00 -0.02 0.00 0.00 35.03 34.12 3kcr n LYS 2 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kcr s ILE 3 N -1.50 1.86 0.00 -0.18 1.01 -1.26 -5.15 121.20 115.98 3kcr s ILE 3 Ca 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3kcr s ILE 3 Cb -0.03 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3kcr s ILE 3 CO 0.56 0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.98 3kcr n LYS 4 N 1.59 2.96 -3.69 2.79 5.02 -1.26 -4.83 118.16 120.74 3kcr n LYS 4 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.01 3kcr n LYS 4 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.44 3kcr n LYS 4 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kcr s THR 5 N 1.61 -0.01 -0.17 -0.18 -4.23 -1.26 -4.43 115.64 106.96 3kcr s THR 5 Ca 0.00 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 3kcr s THR 5 Cb 0.00 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 73.17 3kcr s THR 5 CO 0.00 0.02 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.25 3kcr s VAL 6 N 1.09 1.81 0.19 2.29 1.01 -1.26 -5.05 120.40 120.48 3kcr s VAL 6 Ca -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3kcr s VAL 6 Cb -0.06 -1.70 0.26 0.00 0.00 0.00 0.00 36.38 34.87 3kcr s VAL 6 CO -0.10 0.44 0.95 0.54 0.00 0.00 0.00 175.10 176.93 3kcr n ARG 7 N 4.68 -0.05 0.38 2.72 1.74 -1.26 -3.93 116.66 120.94 3kcr n ARG 7 Ca -0.18 0.91 -0.17 0.00 -0.77 0.00 0.00 57.85 57.64 3kcr n ARG 7 Cb 0.49 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 3kcr n ARG 7 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3kcr h GLY 8 N 0.00 -1.18 0.78 -0.13 0.00 -2.02 -2.08 103.07 98.44 3kcr h GLY 8 Ca 0.37 0.47 0.15 0.00 0.00 0.00 0.00 47.33 48.32 3kcr h GLY 8 CO -0.58 -0.41 0.46 0.00 0.00 0.00 0.00 176.54 176.02 3kcr h ALA 9 N -1.34 2.28 0.00 3.60 0.00 -2.00 -3.18 119.26 118.63 3kcr h ALA 9 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kcr h ALA 9 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kcr h ALA 9 CO 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3kcr n ALA 10 N -2.57 2.01 -0.36 0.00 0.00 -0.78 -1.58 120.51 117.23 3kcr n ALA 10 Ca 0.13 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.53 3kcr n ALA 10 Cb 0.57 -1.33 0.14 0.00 0.00 0.00 0.00 19.45 18.82 3kcr n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kcr n LYS 11 N -1.36 2.78 -0.40 0.00 5.02 -1.20 -3.87 118.16 119.14 3kcr n LYS 11 Ca 0.08 -2.11 0.08 0.00 -2.02 0.00 0.00 58.31 54.34 3kcr n LYS 11 Cb 0.19 -1.33 0.27 0.00 -0.02 0.00 0.00 35.03 34.13 3kcr n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kcr n ARG 12 N -0.08 3.16 -3.70 1.97 1.74 -0.61 -4.94 116.66 114.19 3kcr n ARG 12 Ca 0.11 -2.56 -0.12 0.00 -0.77 0.00 0.00 57.85 54.51 3kcr n ARG 12 Cb 0.49 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3kcr n ARG 12 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kcr s PHE 13 N -1.58 -0.21 -0.13 -1.55 0.08 -1.25 -4.55 117.98 108.80 3kcr s PHE 13 Ca 0.40 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.56 3kcr s PHE 13 Cb 0.25 0.17 0.05 0.00 -0.57 0.00 0.00 43.02 42.91 3kcr s PHE 13 CO 0.20 -0.53 0.06 0.21 -0.10 0.00 0.00 175.22 175.06 3kcr s LYS 14 N -2.40 0.23 0.25 0.44 2.20 0.25 -4.92 119.74 115.80 3kcr s LYS 14 Ca -0.06 -0.03 -0.31 0.00 -0.36 0.00 0.00 55.97 55.22 3kcr s LYS 14 Cb -0.01 -1.49 -0.11 0.00 -1.51 0.00 0.00 37.83 34.71 3kcr s LYS 14 CO -0.02 -0.54 1.63 0.21 -0.36 0.00 0.00 175.35 176.27 3kcr s LYS 15 N 2.06 4.14 0.27 4.03 2.20 -1.26 -0.08 119.74 131.10 3kcr s LYS 15 Ca 0.02 2.56 -0.24 0.00 -0.36 0.00 0.00 55.97 57.95 3kcr s LYS 15 Cb -0.15 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 3kcr s LYS 15 CO -0.07 -0.66 0.85 0.95 -0.36 0.00 0.00 175.35 176.06 3kcr s THR 16 N 0.49 4.35 -1.45 3.43 -4.23 0.62 -4.90 115.64 113.95 3kcr s THR 16 Ca 0.68 1.63 0.30 0.00 -1.18 0.00 0.00 61.69 63.12 3kcr s THR 16 Cb -0.48 -3.99 0.53 0.00 1.34 0.00 0.00 72.50 69.91 3kcr s THR 16 CO 0.41 0.22 2.05 0.61 -0.54 0.00 0.00 174.62 177.38 3kcr n GLY 17 N 0.78 -1.27 0.19 3.99 0.00 -1.26 -0.30 105.19 107.32 3kcr n GLY 17 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 3kcr n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kcr h LYS 18 N 0.02 0.63 0.00 1.61 2.10 -2.04 -3.48 116.57 115.41 3kcr h LYS 18 Ca 0.00 -0.44 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3kcr h LYS 18 Cb 0.28 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 3kcr h LYS 18 CO 0.00 1.06 0.00 0.41 -2.00 0.00 0.00 179.45 178.92 3kcr n GLY 19 N 0.52 0.59 2.85 0.07 0.00 0.59 -5.18 105.19 104.64 3kcr n GLY 19 Ca -0.07 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3kcr n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 20 N 0.00 -3.76 3.01 -0.02 0.00 -1.12 -4.50 105.19 98.80 3kcr n GLY 20 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3kcr n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcr s PHE 21 N -2.10 -0.14 0.28 1.61 0.08 -1.26 -0.28 117.98 116.18 3kcr s PHE 21 Ca 0.60 0.34 0.06 0.00 0.12 0.00 0.00 56.93 58.04 3kcr s PHE 21 Cb -0.10 0.05 -0.06 0.00 -0.57 0.00 0.00 43.02 42.34 3kcr s PHE 21 CO 0.49 -0.07 -0.03 -1.59 -0.10 0.00 0.00 175.22 173.92 3kcr s LYS 22 N 0.03 1.53 0.05 0.44 -2.85 0.89 -3.87 119.74 115.96 3kcr s LYS 22 Ca -0.00 -1.78 -0.04 0.00 -1.00 0.00 0.00 55.97 53.14 3kcr s LYS 22 Cb -0.01 -1.03 -0.02 0.00 -2.06 0.00 0.00 37.83 34.71 3kcr s LYS 22 CO 0.00 -0.01 0.06 -3.38 0.10 0.00 0.00 175.35 172.11 3kcr s HIS 23 N -3.11 0.30 -0.36 1.78 -3.43 -0.59 -0.58 115.29 109.29 3kcr s HIS 23 Ca 0.30 -0.68 -0.14 0.00 -0.80 0.00 0.00 55.06 53.74 3kcr s HIS 23 Cb 0.05 -0.21 -0.01 0.00 -1.43 0.00 0.00 32.58 30.98 3kcr s HIS 23 CO 0.12 -0.37 0.30 0.21 -2.00 0.00 0.00 174.74 173.00 3kcr s LYS 24 N -3.01 3.41 0.61 -0.38 2.20 -1.26 -1.80 119.74 119.51 3kcr s LYS 24 Ca -0.02 -0.64 -0.19 0.00 -0.36 0.00 0.00 55.97 54.77 3kcr s LYS 24 Cb 0.01 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 3kcr s LYS 24 CO -0.06 -0.54 1.12 0.72 -0.36 0.00 0.00 175.35 176.22 3kcr n HIS 25 N 5.23 1.36 -1.78 4.03 8.25 -1.06 -4.99 115.22 126.25 3kcr n HIS 25 Ca -0.11 0.43 -0.29 0.00 -0.26 0.00 0.00 57.72 57.49 3kcr n HIS 25 Cb 0.49 -2.21 0.14 0.00 1.12 0.00 0.00 29.99 29.54 3kcr n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kcr s ALA 26 N -1.44 2.18 -0.57 -1.41 0.00 -1.26 -4.18 121.76 115.08 3kcr s ALA 26 Ca 0.77 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3kcr s ALA 26 Cb -0.41 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3kcr s ALA 26 CO 0.45 -2.21 0.00 0.09 0.00 0.00 0.00 175.76 174.09 3kcr n ASN 27 N -3.67 -3.21 -0.42 0.00 4.13 -1.26 -4.91 115.26 105.92 3kcr n ASN 27 Ca 0.11 0.09 0.12 0.00 1.68 0.00 0.00 54.58 56.58 3kcr n ASN 27 Cb 0.60 -1.71 0.22 0.00 -1.54 0.00 0.00 39.78 37.35 3kcr n ASN 27 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kcr n LEU 28 N -0.72 1.61 0.10 3.41 7.94 -1.26 -4.54 117.00 123.54 3kcr n LEU 28 Ca -0.06 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.31 3kcr n LEU 28 Cb 0.32 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3kcr n LEU 28 CO 0.08 0.29 0.00 -2.11 -1.11 0.00 0.00 177.39 174.55 3kcr n ARG 29 N -0.18 0.00 -2.08 1.96 1.85 -1.26 -5.01 116.66 111.94 3kcr n ARG 29 Ca 0.12 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.54 3kcr n ARG 29 Cb 0.41 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.80 3kcr n ARG 29 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3kcr s HIS 30 N -1.70 1.93 0.31 2.89 2.46 -1.26 -4.47 115.29 115.45 3kcr s HIS 30 Ca 0.00 0.63 0.00 0.00 0.47 0.00 0.00 55.06 56.16 3kcr s HIS 30 Cb 0.00 -4.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 3kcr s HIS 30 CO 0.00 -2.73 0.00 1.51 -2.47 0.00 0.00 174.74 171.05 3kcr n ILE 31 N 7.34 -3.25 -2.62 0.89 3.06 -1.26 -4.89 119.36 118.62 3kcr n ILE 31 Ca 0.21 1.50 -0.02 0.00 -2.50 0.00 0.00 62.75 61.94 3kcr n ILE 31 Cb 0.47 -2.04 0.10 0.00 0.54 0.00 0.00 39.64 38.71 3kcr n ILE 31 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3kcr n LEU 32 N -0.64 -1.15 -0.00 9.51 4.77 -1.26 -4.70 117.00 123.52 3kcr n LEU 32 Ca 0.00 -2.72 0.09 0.00 -0.03 0.00 0.00 56.01 53.35 3kcr n LEU 32 Cb 0.00 0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 3kcr n LEU 32 CO 0.00 1.56 -0.41 1.07 -1.33 0.00 0.00 177.39 178.28 3kcr n THR 33 N -1.20 0.00 0.27 -5.08 5.66 -1.26 -4.76 114.28 107.91 3kcr n THR 33 Ca -0.14 -0.26 0.12 0.00 -3.05 0.00 0.00 64.05 60.71 3kcr n THR 33 Cb 0.79 0.49 0.10 0.00 -1.55 0.00 0.00 70.33 70.17 3kcr n THR 33 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 3kcr h LYS 34 N 0.00 0.00 -6.04 1.09 1.57 -1.99 -3.47 116.57 107.73 3kcr h LYS 34 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3kcr h LYS 34 Cb 0.68 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 3kcr h LYS 34 CO 0.00 0.00 -0.19 0.15 -0.57 0.00 0.00 179.45 178.84 3kcr s LYS 35 N -3.27 3.92 0.87 3.15 3.01 -1.26 -5.04 119.74 121.12 3kcr s LYS 35 Ca 0.03 0.42 -0.11 0.00 -1.01 0.00 0.00 55.97 55.30 3kcr s LYS 35 Cb 0.10 -3.19 0.12 0.00 -1.01 0.00 0.00 37.83 33.84 3kcr s LYS 35 CO 0.74 0.67 1.15 0.00 0.51 0.00 0.00 175.35 178.42 3kcr s ALA 36 N -1.12 1.67 0.13 5.17 0.00 -1.26 -4.71 121.76 121.65 3kcr s ALA 36 Ca 0.25 0.60 0.09 0.00 0.00 0.00 0.00 51.96 52.90 3kcr s ALA 36 Cb -0.17 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3kcr s ALA 36 CO 0.14 -2.50 1.37 1.15 0.00 0.00 0.00 175.76 175.92 3kcr h THR 37 N -1.54 1.58 -0.18 0.00 2.02 -1.97 0.46 112.91 113.28 3kcr h THR 37 Ca -0.44 -3.02 0.01 0.00 0.77 0.00 0.00 66.41 63.73 3kcr h THR 37 Cb 1.27 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 3kcr h THR 37 CO 0.44 0.85 0.09 0.11 0.37 0.00 0.00 175.52 177.38 3kcr h LYS 38 N 0.00 0.18 -0.56 6.66 6.56 -1.97 0.17 116.57 127.60 3kcr h LYS 38 Ca -0.01 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.47 3kcr h LYS 38 Cb 1.58 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 33.18 3kcr h LYS 38 CO 0.11 0.12 -0.04 -0.09 -2.06 0.00 0.00 179.45 177.50 3kcr h ARG 39 N 0.19 1.02 -0.49 3.15 2.43 -1.74 0.86 114.38 119.80 3kcr h ARG 39 Ca 0.07 -0.35 -0.10 0.00 -0.81 0.00 0.00 59.98 58.80 3kcr h ARG 39 Cb 0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3kcr h ARG 39 CO -0.05 1.03 -0.09 -0.22 -1.51 0.00 0.00 179.97 179.13 3kcr h LYS 40 N 0.91 0.93 -0.73 0.20 1.63 -0.03 -1.73 116.57 117.76 3kcr h LYS 40 Ca 0.16 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.63 3kcr h LYS 40 Cb 0.60 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 3kcr h LYS 40 CO 0.04 1.00 0.48 -0.09 -3.45 0.00 0.00 179.45 177.43 3kcr h ARG 41 N 0.79 0.90 -1.06 1.90 2.43 -0.21 -0.67 114.38 118.46 3kcr h ARG 41 Ca 0.13 -0.05 -0.54 0.00 -0.81 0.00 0.00 59.98 58.70 3kcr h ARG 41 Cb 0.64 -0.20 -0.27 0.00 -0.42 0.00 0.00 29.97 29.72 3kcr h ARG 41 CO 0.04 0.60 0.70 0.72 -1.51 0.00 0.00 179.97 180.52 3kcr n HIS 42 N -4.44 2.82 0.00 2.20 8.25 0.26 -3.63 115.22 120.68 3kcr n HIS 42 Ca 0.09 -2.33 0.00 0.00 -0.26 0.00 0.00 57.72 55.21 3kcr n HIS 42 Cb 0.08 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.05 3kcr n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kcr n LEU 43 N -0.79 0.00 -0.26 2.41 4.77 -0.33 -4.77 117.00 118.04 3kcr n LEU 43 Ca 0.55 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.56 3kcr n LEU 43 Cb 1.04 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 42.25 3kcr n LEU 43 CO 0.64 0.00 0.77 0.03 -1.33 0.00 0.00 177.39 177.49 3kcr h ARG 44 N 0.00 0.04 0.00 3.23 3.08 -1.44 -3.28 114.38 116.01 3kcr h ARG 44 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3kcr h ARG 44 Cb 0.23 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.28 3kcr h ARG 44 CO 0.00 0.03 0.02 -2.30 -1.07 0.00 0.00 179.97 176.65 3kcr n PRO 45 N -5.43 -0.38 -4.63 0.04 -0.02 -1.26 -4.55 135.00 118.78 3kcr n PRO 45 Ca 0.12 -0.10 -0.22 0.00 -2.02 0.00 0.00 63.50 61.27 3kcr n PRO 45 Cb 0.44 -0.08 -0.15 0.00 -0.02 0.00 0.00 33.50 33.69 3kcr n PRO 45 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kcr s LYS 46 N -3.15 1.16 -0.06 -0.52 1.02 -1.26 -2.58 119.74 114.36 3kcr s LYS 46 Ca 0.04 -0.59 -0.19 0.00 0.02 0.00 0.00 55.97 55.25 3kcr s LYS 46 Cb -0.00 -1.14 0.04 0.00 -0.52 0.00 0.00 37.83 36.21 3kcr s LYS 46 CO 0.03 0.31 0.43 0.00 -0.92 0.00 0.00 175.35 175.20 3kcr s ALA 47 N -0.45 -1.10 0.46 5.17 0.00 -0.75 -4.78 121.76 120.31 3kcr s ALA 47 Ca 0.05 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 3kcr s ALA 47 Cb -0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 3kcr s ALA 47 CO -0.00 -0.28 1.23 -1.64 0.00 0.00 0.00 175.76 175.07 3kcr s MET 48 N -0.91 3.73 0.46 0.00 1.00 -1.25 -1.55 119.30 120.78 3kcr s MET 48 Ca -0.10 1.95 -0.24 0.00 0.00 0.00 0.00 55.69 57.30 3kcr s MET 48 Cb -0.04 -2.49 -0.07 0.00 0.00 0.00 0.00 34.83 32.23 3kcr s MET 48 CO 0.05 -0.62 1.25 0.54 0.00 0.00 0.00 175.02 176.24 3kcr s VAL 49 N -1.42 2.72 0.18 -6.03 0.11 -1.25 -4.97 120.40 109.75 3kcr s VAL 49 Ca 0.63 0.58 -0.21 0.00 -2.93 0.00 0.00 61.98 60.04 3kcr s VAL 49 Cb -0.33 -3.31 -0.08 0.00 -1.53 0.00 0.00 36.38 31.13 3kcr s VAL 49 CO 0.41 0.03 0.71 -0.44 -3.33 0.00 0.00 175.10 172.48 3kcr s SER 50 N -1.06 7.16 1.05 3.54 0.01 -1.26 -4.67 113.70 118.47 3kcr s SER 50 Ca 0.63 1.46 -0.20 0.00 1.31 0.00 0.00 55.95 59.14 3kcr s SER 50 Cb -0.34 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.44 3kcr s SER 50 CO 0.42 0.12 -0.47 0.29 0.41 0.00 0.00 173.24 174.02 3kcr n LYS 51 N 1.13 -0.81 -0.98 12.44 4.76 -1.26 -3.96 118.16 129.49 3kcr n LYS 51 Ca -0.05 -0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 3kcr n LYS 51 Cb 0.50 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 3kcr n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kcr n GLY 52 N 2.51 0.93 0.00 0.72 0.00 -1.26 -4.52 105.19 103.58 3kcr n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kcr n ASP 53 N 0.00 0.00 -0.17 1.61 9.92 -1.26 -4.89 116.55 121.77 3kcr n ASP 53 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 3kcr n ASP 53 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 3kcr n ASP 53 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3kcr h LEU 54 N 0.00 0.68 0.00 0.64 5.85 -1.80 -3.32 115.31 117.37 3kcr h LEU 54 Ca 0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3kcr h LEU 54 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3kcr h LEU 54 CO 0.00 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 3kcr n GLY 55 N -0.75 -0.65 0.57 3.75 0.00 -1.26 -3.17 105.19 103.68 3kcr n GLY 55 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.03 3kcr n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kcr n LEU 56 N -0.72 2.59 -0.09 0.99 4.77 -1.25 -2.44 117.00 120.85 3kcr n LEU 56 Ca 0.07 -1.66 -0.12 0.00 -0.03 0.00 0.00 56.01 54.27 3kcr n LEU 56 Cb 0.03 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 3kcr n LEU 56 CO 0.05 0.61 0.72 0.58 -1.33 0.00 0.00 177.39 178.03 3kcr h VAL 57 N 2.08 1.28 -0.07 4.08 2.07 -1.80 -3.33 116.25 120.55 3kcr h VAL 57 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kcr h VAL 57 Cb 0.64 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3kcr h VAL 57 CO 0.00 0.32 0.00 2.30 0.02 0.00 0.00 177.57 180.21 3kcr n ILE 58 N -4.57 0.13 0.83 4.57 -5.35 -1.24 -3.32 119.36 110.41 3kcr n ILE 58 Ca -0.04 -0.57 0.12 0.00 -0.27 0.00 0.00 62.75 62.00 3kcr n ILE 58 Cb 0.28 1.18 0.52 0.00 -1.74 0.00 0.00 39.64 39.88 3kcr n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kcr n ALA 59 N 0.76 2.13 -0.88 -1.28 0.00 -1.02 -3.83 120.51 116.39 3kcr n ALA 59 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.48 3kcr n ALA 59 Cb 0.36 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.43 3kcr n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr s LEU 61 N -0.99 0.62 0.00 0.00 1.43 -1.25 -4.97 118.68 113.51 3kcr s LEU 61 Ca 0.07 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3kcr s LEU 61 Cb 0.07 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.83 3kcr s LEU 61 CO 0.01 -0.20 0.28 -0.81 0.23 0.00 0.00 176.35 175.86 3kcr n PRO 62 N 5.14 0.00 -3.77 1.29 -0.04 -1.26 -4.94 135.00 131.42 3kcr n PRO 62 Ca -0.07 -0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.01 3kcr n PRO 62 Cb 0.50 -0.22 -0.10 0.00 -0.04 0.00 0.00 33.50 33.64 3kcr n PRO 62 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kcr s TYR 63 N 0.00 -0.30 -2.17 0.54 2.02 -1.26 -5.05 117.35 111.13 3kcr s TYR 63 Ca 0.00 0.70 0.31 0.00 -0.37 0.00 0.00 57.07 57.71 3kcr s TYR 63 Cb 0.00 0.11 1.62 0.00 -0.40 0.00 0.00 41.96 43.29 3kcr s TYR 63 CO 0.00 -0.21 2.06 0.00 -1.57 0.00 0.00 175.55 175.83