#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 1.24 -2.96 2.12 5.02 -1.26 -5.08 118.16 117.24 3kcr n LYS 2 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 3kcr n LYS 2 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.88 3kcr n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcr n ALA 3 N 0.00 4.92 -2.44 7.82 0.00 -1.26 -5.01 120.51 124.54 3kcr n ALA 3 Ca 0.00 -4.71 -0.11 0.00 0.00 0.00 0.00 53.44 48.62 3kcr n ALA 3 Cb 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 3kcr n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kcr s LYS 4 N -3.46 1.29 1.77 0.00 -0.14 -1.26 -5.13 119.74 112.81 3kcr s LYS 4 Ca 0.44 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 3kcr s LYS 4 Cb 0.23 0.32 0.00 0.00 -1.68 0.00 0.00 37.83 36.69 3kcr s LYS 4 CO -0.10 -0.45 0.00 0.39 -0.76 0.00 0.00 175.35 174.42 3kcr n GLU 5 N -0.30 0.00 0.00 1.68 1.02 -1.26 -4.77 120.64 117.01 3kcr n GLU 5 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kcr n GLU 5 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 3kcr n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kcr n LEU 6 N 0.00 0.00 -0.45 -4.62 4.77 -1.26 -5.14 117.00 110.29 3kcr n LEU 6 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3kcr n LEU 6 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3kcr n LEU 6 CO 0.00 0.11 -0.15 0.54 -1.33 0.00 0.00 177.39 176.56 3kcr n ARG 7 N 0.00 -1.16 -3.78 3.23 5.12 -1.26 -5.07 116.66 113.73 3kcr n ARG 7 Ca 0.00 0.91 -0.13 0.00 -1.93 0.00 0.00 57.85 56.71 3kcr n ARG 7 Cb 0.21 -1.17 -0.13 0.00 -1.16 0.00 0.00 32.46 30.20 3kcr n ARG 7 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3kcr s GLU 8 N -4.20 0.15 0.65 5.56 2.12 -1.24 -5.14 118.70 116.59 3kcr s GLU 8 Ca 0.00 0.30 -0.09 0.00 0.36 0.00 0.00 54.97 55.54 3kcr s GLU 8 Cb 0.00 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3kcr s GLU 8 CO 0.00 -0.09 1.01 0.15 -0.54 0.00 0.00 175.26 175.79 3kcr s LYS 9 N 0.61 2.98 -0.41 4.30 -0.14 -1.26 -3.94 119.74 121.88 3kcr s LYS 9 Ca -0.04 0.31 0.05 0.00 -1.36 0.00 0.00 55.97 54.93 3kcr s LYS 9 Cb -0.06 -2.13 0.69 0.00 -1.68 0.00 0.00 37.83 34.64 3kcr s LYS 9 CO -0.03 -0.83 1.89 -1.13 -0.76 0.00 0.00 175.35 174.49 3kcr n SER 10 N -2.80 4.05 -0.28 2.83 3.41 -0.58 -1.23 113.62 119.02 3kcr n SER 10 Ca 0.06 -3.50 0.03 0.00 -0.26 0.00 0.00 58.87 55.20 3kcr n SER 10 Cb 0.57 -0.81 0.06 0.00 -0.26 0.00 0.00 64.21 63.76 3kcr n SER 10 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kcr n VAL 11 N -0.87 0.69 -0.56 -3.33 0.24 -1.26 -4.64 118.33 108.60 3kcr n VAL 11 Ca 0.55 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3kcr n VAL 11 Cb 1.60 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 34.66 3kcr n VAL 11 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kcr n GLU 12 N 0.09 0.25 -0.12 7.34 0.28 -1.13 -4.66 120.64 122.69 3kcr n GLU 12 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.16 3kcr n GLU 12 Cb 0.27 -0.02 0.47 0.00 1.43 0.00 0.00 31.44 33.59 3kcr n GLU 12 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kcr h GLU 13 N 0.00 0.48 -0.62 3.44 5.08 -1.43 -1.97 114.58 119.56 3kcr h GLU 13 Ca 0.00 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 3kcr h GLU 13 Cb 0.00 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.03 3kcr h GLU 13 CO 0.00 0.32 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.11 3kcr h LEU 14 N 0.49 -0.56 -0.33 1.33 3.38 -1.83 -2.01 115.31 115.79 3kcr h LEU 14 Ca 0.30 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3kcr h LEU 14 Cb 0.53 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kcr h LEU 14 CO -0.09 -0.20 0.00 0.78 0.09 0.00 0.00 178.44 179.02 3kcr h ASN 15 N 0.01 0.00 1.19 -0.43 2.35 -1.66 -3.12 115.58 113.92 3kcr h ASN 15 Ca 0.30 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 3kcr h ASN 15 Cb 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3kcr h ASN 15 CO -0.63 0.00 -0.86 0.74 -1.65 0.00 0.00 177.43 175.03 3kcr h THR 16 N 0.00 0.60 -0.03 2.81 2.02 -1.37 -3.24 112.91 113.69 3kcr h THR 16 Ca 0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 3kcr h THR 16 Cb 0.74 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3kcr h THR 16 CO 0.00 0.34 0.00 -0.62 0.37 0.00 0.00 175.52 175.61 3kcr n GLU 17 N -3.04 1.58 -0.64 6.66 1.02 -1.18 -3.54 120.64 121.50 3kcr n GLU 17 Ca -0.02 -0.84 0.04 0.00 -0.02 0.00 0.00 57.16 56.31 3kcr n GLU 17 Cb 0.74 -1.47 0.21 0.00 -0.02 0.00 0.00 31.44 30.90 3kcr n GLU 17 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kcr n LEU 18 N 0.02 3.06 0.00 -4.62 4.77 -1.22 -3.76 117.00 115.25 3kcr n LEU 18 Ca 0.19 -3.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.32 3kcr n LEU 18 Cb 0.32 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3kcr n LEU 18 CO 0.16 1.35 0.00 0.18 -1.33 0.00 0.00 177.39 177.75 3kcr n LEU 19 N -1.13 0.00 -0.56 2.23 4.77 -0.80 -4.69 117.00 116.82 3kcr n LEU 19 Ca 0.23 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3kcr n LEU 19 Cb 0.78 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3kcr n LEU 19 CO 0.02 0.00 0.24 0.59 -1.33 0.00 0.00 177.39 176.91 3kcr n ASN 20 N 0.00 0.01 0.00 -1.43 3.02 -1.23 -4.65 115.26 110.98 3kcr n ASN 20 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 3kcr n ASN 20 Cb 0.00 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3kcr n ASN 20 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kcr n LEU 21 N 0.02 0.00 -3.76 3.41 7.94 -1.26 -4.72 117.00 118.63 3kcr n LEU 21 Ca -0.01 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.77 3kcr n LEU 21 Cb 0.64 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.47 3kcr n LEU 21 CO -0.01 0.00 -0.07 -0.22 -1.11 0.00 0.00 177.39 175.99 3kcr s LEU 22 N -0.31 0.73 -1.21 -1.96 2.96 -1.25 -4.82 118.68 112.82 3kcr s LEU 22 Ca 0.00 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3kcr s LEU 22 Cb 0.00 0.93 -0.01 0.00 0.50 0.00 0.00 46.19 47.60 3kcr s LEU 22 CO 0.00 -0.12 0.85 0.54 -1.32 0.00 0.00 176.35 176.30 3kcr n ARG 23 N 3.36 -4.83 0.00 1.98 5.12 -1.26 -1.91 116.66 119.12 3kcr n ARG 23 Ca -0.17 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 3kcr n ARG 23 Cb 0.57 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.40 3kcr n ARG 23 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3kcr n GLU 24 N -4.04 0.66 -0.48 5.56 4.07 -1.26 -4.62 120.64 120.52 3kcr n GLU 24 Ca -0.24 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 56.94 3kcr n GLU 24 Cb 0.66 -0.05 0.27 0.00 -0.06 0.00 0.00 31.44 32.26 3kcr n GLU 24 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kcr n GLN 25 N 0.00 3.30 0.00 5.31 10.64 -1.26 -0.54 117.38 134.84 3kcr n GLN 25 Ca 0.00 -2.75 0.00 0.00 -1.83 0.00 0.00 57.00 52.42 3kcr n GLN 25 Cb 0.00 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.58 3kcr n GLN 25 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3kcr n PHE 26 N 0.06 0.00 -0.32 2.61 3.72 -1.26 -2.38 117.46 119.89 3kcr n PHE 26 Ca 0.21 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3kcr n PHE 26 Cb 0.85 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 3kcr n PHE 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3kcr n ASN 27 N -0.08 0.00 0.00 4.37 6.94 -1.23 -4.79 115.26 120.47 3kcr n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3kcr n ASN 27 Cb 0.07 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3kcr n ASN 27 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3kcr n LEU 28 N 0.00 0.00 -0.06 -4.53 7.94 0.09 -4.11 117.00 116.33 3kcr n LEU 28 Ca 0.00 -0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 3kcr n LEU 28 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 3kcr n LEU 28 CO 0.00 0.00 0.48 0.54 -1.11 0.00 0.00 177.39 177.30 3kcr n ARG 29 N -0.05 1.84 -0.09 1.96 1.74 0.30 -0.09 116.66 122.28 3kcr n ARG 29 Ca 0.00 -1.72 -0.10 0.00 -0.77 0.00 0.00 57.85 55.26 3kcr n ARG 29 Cb 0.00 -1.08 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 3kcr n ARG 29 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3kcr n MET 30 N -0.73 0.98 0.00 5.56 1.56 -1.00 -4.05 117.12 119.44 3kcr n MET 30 Ca 0.05 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.59 3kcr n MET 30 Cb 0.45 -1.47 -0.03 0.00 2.15 0.00 0.00 33.22 34.32 3kcr n MET 30 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3kcr n GLN 31 N -2.72 1.11 -0.29 2.12 1.13 -1.24 -1.80 117.38 115.70 3kcr n GLN 31 Ca -0.31 -0.77 -0.06 0.00 -1.94 0.00 0.00 57.00 53.93 3kcr n GLN 31 Cb 1.08 -1.44 0.06 0.00 0.11 0.00 0.00 30.24 30.05 3kcr n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kcr h ALA 32 N 3.51 1.01 0.00 -1.58 0.00 -0.72 0.19 119.26 121.67 3kcr h ALA 32 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kcr h ALA 32 Cb 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kcr h ALA 32 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3kcr n ALA 33 N -2.42 2.20 -1.92 0.00 0.00 -0.77 -1.90 120.51 115.70 3kcr n ALA 33 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kcr n ALA 33 Cb 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3kcr n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kcr n SER 34 N -0.57 0.00 0.00 0.00 2.88 -0.74 -4.99 113.62 110.20 3kcr n SER 34 Ca 0.02 -1.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 3kcr n SER 34 Cb 0.01 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 3kcr n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kcr n GLY 35 N 0.00 1.18 2.91 0.46 0.00 0.04 -4.93 105.19 104.86 3kcr n GLY 35 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3kcr n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kcr n GLN 36 N 6.10 -1.79 -4.01 1.61 6.02 -1.26 -4.61 117.38 119.45 3kcr n GLN 36 Ca 0.00 0.74 -0.31 0.00 -0.01 0.00 0.00 57.00 57.42 3kcr n GLN 36 Cb 0.00 -5.03 -0.15 0.00 1.02 0.00 0.00 30.24 26.08 3kcr n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kcr s LEU 37 N -4.87 3.61 -0.33 1.08 1.43 -1.26 -4.88 118.68 113.47 3kcr s LEU 37 Ca 0.35 -1.59 0.07 0.00 -1.03 0.00 0.00 54.13 51.93 3kcr s LEU 37 Cb -0.05 -1.47 0.49 0.00 0.03 0.00 0.00 46.19 45.20 3kcr s LEU 37 CO 0.60 -0.27 1.47 0.00 0.23 0.00 0.00 176.35 178.39 3kcr n GLN 38 N 4.44 2.22 -2.75 1.70 10.64 -1.26 -4.47 117.38 127.90 3kcr n GLN 38 Ca -0.08 -3.38 -0.09 0.00 -1.83 0.00 0.00 57.00 51.62 3kcr n GLN 38 Cb 0.42 -1.94 0.07 0.00 -0.86 0.00 0.00 30.24 27.93 3kcr n GLN 38 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3kcr n GLN 39 N -1.04 0.92 0.06 2.61 6.02 -1.26 -4.98 117.38 119.72 3kcr n GLN 39 Ca 0.38 -1.89 -0.12 0.00 -0.01 0.00 0.00 57.00 55.36 3kcr n GLN 39 Cb 0.99 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 31.02 3kcr n GLN 39 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3kcr h SER 40 N 3.39 0.49 0.08 1.08 0.02 -2.00 -3.13 113.55 113.49 3kcr h SER 40 Ca -0.11 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kcr h SER 40 Cb 1.07 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3kcr h SER 40 CO 0.22 1.15 -0.02 1.12 -1.14 0.00 0.00 176.83 178.16 3kcr h HIS 41 N 0.24 0.00 -0.12 3.45 2.07 -1.96 -2.83 115.15 116.00 3kcr h HIS 41 Ca -0.06 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.36 3kcr h HIS 41 Cb 1.47 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.43 3kcr h HIS 41 CO 0.05 0.02 -0.36 -0.07 -3.07 0.00 0.00 177.93 174.49 3kcr h LEU 42 N 0.00 0.25 -0.65 6.12 3.38 -1.98 -3.21 115.31 119.22 3kcr h LEU 42 Ca -0.00 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3kcr h LEU 42 Cb 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kcr h LEU 42 CO 0.00 0.60 -0.56 -0.07 0.09 0.00 0.00 178.44 178.51 3kcr h LEU 43 N 0.21 0.37 -0.38 1.67 4.07 -1.71 -2.97 115.31 116.57 3kcr h LEU 43 Ca 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3kcr h LEU 43 Cb 0.75 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.38 3kcr h LEU 43 CO 0.06 0.86 0.00 0.29 -1.08 0.00 0.00 178.44 178.56 3kcr n LYS 44 N -3.92 0.16 -0.20 1.13 5.02 -1.21 -1.42 118.16 117.72 3kcr n LYS 44 Ca -0.02 0.32 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 3kcr n LYS 44 Cb 0.59 -1.77 0.15 0.00 -0.02 0.00 0.00 35.03 33.99 3kcr n LYS 44 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kcr n GLN 45 N -2.06 2.57 0.04 1.97 1.13 -1.12 -2.54 117.38 117.37 3kcr n GLN 45 Ca 0.03 -2.30 -0.22 0.00 -1.94 0.00 0.00 57.00 52.57 3kcr n GLN 45 Cb 0.27 -1.44 -0.14 0.00 0.11 0.00 0.00 30.24 29.03 3kcr n GLN 45 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3kcr h VAL 46 N 1.10 0.90 0.55 5.09 2.07 -1.24 -3.41 116.25 121.31 3kcr h VAL 46 Ca 0.00 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.05 3kcr h VAL 46 Cb 0.96 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 3kcr h VAL 46 CO 0.07 0.82 -0.27 0.03 0.02 0.00 0.00 177.57 178.24 3kcr h ARG 47 N -0.02 -0.73 -1.93 1.57 3.08 -1.64 -3.33 114.38 111.38 3kcr h ARG 47 Ca -0.35 0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.55 3kcr h ARG 47 Cb 1.99 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 32.13 3kcr h ARG 47 CO 0.13 -0.48 -0.03 0.54 -1.07 0.00 0.00 179.97 179.05 3kcr n ARG 48 N -4.06 1.73 0.00 0.04 1.74 -1.05 -2.11 116.66 112.95 3kcr n ARG 48 Ca -0.09 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 3kcr n ARG 48 Cb 0.30 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3kcr n ARG 48 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kcr n ASP 49 N 1.64 0.00 -0.86 0.55 4.64 -1.26 -4.67 116.55 116.59 3kcr n ASP 49 Ca 0.29 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.81 3kcr n ASP 49 Cb 0.69 0.06 0.09 0.00 -1.04 0.00 0.00 41.12 40.91 3kcr n ASP 49 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3kcr n VAL 50 N -1.69 0.00 0.26 5.18 0.24 -1.04 -3.22 118.33 118.06 3kcr n VAL 50 Ca 0.00 -0.48 0.12 0.00 -2.04 0.00 0.00 64.34 61.94 3kcr n VAL 50 Cb 0.00 1.45 0.13 0.00 -1.47 0.00 0.00 33.84 33.95 3kcr n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr h ALA 51 N 4.34 0.77 0.00 2.33 0.00 -1.70 -3.14 119.26 121.86 3kcr h ALA 51 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kcr h ALA 51 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kcr h ALA 51 CO 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 179.25 178.20 3kcr h ARG 52 N 0.00 0.00 -0.42 0.00 3.08 -1.82 -3.04 114.38 112.18 3kcr h ARG 52 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3kcr h ARG 52 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 3kcr h ARG 52 CO 0.00 0.10 0.12 0.28 -1.07 0.00 0.00 179.97 179.41 3kcr h VAL 53 N 0.00 0.83 0.00 2.04 2.07 -1.55 -1.42 116.25 118.23 3kcr h VAL 53 Ca -0.05 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kcr h VAL 53 Cb 1.19 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3kcr h VAL 53 CO 0.02 0.05 -0.92 0.29 0.02 0.00 0.00 177.57 177.02 3kcr n LYS 54 N -5.05 0.10 -0.10 1.57 5.02 -1.24 -2.34 118.16 116.12 3kcr n LYS 54 Ca 0.03 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 3kcr n LYS 54 Cb 0.17 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 3kcr n LYS 54 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3kcr h THR 55 N 0.00 1.27 -0.50 -0.18 2.02 -1.42 -2.32 112.91 111.78 3kcr h THR 55 Ca 0.00 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.74 3kcr h THR 55 Cb 0.58 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3kcr h THR 55 CO 0.00 0.48 0.00 0.18 0.37 0.00 0.00 175.52 176.55 3kcr n LEU 56 N -4.08 2.74 -0.12 2.58 4.77 -0.54 -0.56 117.00 121.79 3kcr n LEU 56 Ca -0.01 -1.35 -0.23 0.00 -0.03 0.00 0.00 56.01 54.39 3kcr n LEU 56 Cb 0.48 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3kcr n LEU 56 CO 0.46 0.68 -0.91 -0.11 -1.33 0.00 0.00 177.39 176.18 3kcr n LEU 57 N 1.00 1.90 -0.01 2.23 7.94 -0.99 -2.64 117.00 126.43 3kcr n LEU 57 Ca 0.17 0.40 -0.08 0.00 -1.11 0.00 0.00 56.01 55.39 3kcr n LEU 57 Cb 0.44 -0.88 -0.14 0.00 0.53 0.00 0.00 43.42 43.37 3kcr n LEU 57 CO 0.12 0.29 -0.44 0.78 -1.11 0.00 0.00 177.39 177.03 3kcr h ASN 58 N -1.00 0.00 0.02 1.96 4.21 -1.29 -0.28 115.58 119.19 3kcr h ASN 58 Ca -0.44 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.07 3kcr h ASN 58 Cb 1.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 3kcr h ASN 58 CO -0.27 1.00 -0.01 -0.08 -1.29 0.00 0.00 177.43 176.78 3kcr h GLU 59 N 0.00 -0.02 -0.15 0.81 4.81 -1.06 -3.36 114.58 115.61 3kcr h GLU 59 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3kcr h GLU 59 Cb 1.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.37 3kcr h GLU 59 CO 0.09 0.70 0.00 1.63 -0.73 0.00 0.00 179.01 180.69 3kcr n LYS 60 N -4.74 2.24 -3.24 1.92 4.76 -1.25 -4.96 118.16 112.89 3kcr n LYS 60 Ca -0.09 -1.98 -0.16 0.00 -2.87 0.00 0.00 58.31 53.20 3kcr n LYS 60 Cb 0.36 -1.45 0.06 0.00 -1.84 0.00 0.00 35.03 32.16 3kcr n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kcr n ALA 61 N 1.32 -1.14 -0.76 7.82 0.00 -0.48 -2.80 120.51 124.47 3kcr n ALA 61 Ca 0.15 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3kcr n ALA 61 Cb 0.57 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.49 3kcr n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 62 N -1.46 0.77 0.93 0.00 0.00 -0.24 -4.98 105.19 100.20 3kcr n GLY 62 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3kcr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32