#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkd n LYS 2 N 0.00 -1.96 -1.55 5.56 5.02 -1.26 -4.99 118.16 118.97 1kkd n LYS 2 Ca 0.00 1.29 0.00 0.00 -2.02 0.00 0.00 58.31 57.58 1kkd n LYS 2 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1kkd n LYS 2 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1kkd n LEU 3 N 0.00 -2.14 -0.04 -0.35 -0.00 -1.26 -4.90 117.00 108.31 1kkd n LEU 3 Ca 0.01 2.96 0.01 0.00 -0.00 0.00 0.00 56.01 58.99 1kkd n LEU 3 Cb 0.44 -2.91 -0.12 0.00 -0.00 0.00 0.00 43.42 40.83 1kkd n LEU 3 CO 0.01 0.27 -0.82 -1.84 -0.00 0.00 0.00 177.39 175.01 1kkd n GLU 4 N -1.13 1.01 -1.52 1.47 0.00 -1.26 -4.96 120.64 114.26 1kkd n GLU 4 Ca 0.00 -0.08 -0.56 0.00 0.00 0.00 0.00 57.16 56.52 1kkd n GLU 4 Cb 0.06 -1.37 -0.08 0.00 0.00 0.00 0.00 31.44 30.05 1kkd n GLU 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1kkd n LEU 5 N -2.27 1.86 -3.65 -1.84 0.00 -1.26 -4.86 117.00 104.98 1kkd n LEU 5 Ca -0.12 0.76 -0.03 0.00 0.00 0.00 0.00 56.01 56.61 1kkd n LEU 5 Cb 0.67 -1.11 -0.07 0.00 0.00 0.00 0.00 43.42 42.91 1kkd n LEU 5 CO 0.32 -0.64 0.95 0.28 0.00 0.00 0.00 177.39 178.30 1kkd s THR 6 N 5.40 0.00 -0.23 1.96 -1.32 -1.26 -5.03 115.64 115.16 1kkd s THR 6 Ca 1.08 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 61.42 1kkd s THR 6 Cb -1.12 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 68.89 1kkd s THR 6 CO 0.61 0.00 0.28 0.29 -2.21 0.00 0.00 174.62 173.59 1kkd n LYS 7 N 2.36 -0.80 0.00 7.08 5.02 -1.26 -4.73 118.16 125.82 1kkd n LYS 7 Ca -0.13 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.84 1kkd n LYS 7 Cb 0.57 -0.88 0.63 0.00 -0.02 0.00 0.00 35.03 35.33 1kkd n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kkd n ALA 8 N -0.36 2.31 -0.34 7.82 0.00 -1.26 -4.95 120.51 123.72 1kkd n ALA 8 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1kkd n ALA 8 Cb 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1kkd n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kkd n GLU 9 N -1.42 0.00 -0.88 0.00 1.02 -1.26 0.42 120.64 118.52 1kkd n GLU 9 Ca 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 1kkd n GLU 9 Cb 0.28 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.75 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1kkd n LYS 10 N 14.00 1.85 -2.65 3.49 2.85 -1.26 -4.85 118.16 131.59 1kkd n LYS 10 Ca 0.00 -1.71 -0.06 0.00 -1.05 0.00 0.00 58.31 55.48 1kkd n LYS 10 Cb 0.00 -1.67 -0.02 0.00 -0.65 0.00 0.00 35.03 32.69 1kkd n LYS 10 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kkd n HIS 11 N 0.11 -0.63 -0.33 5.58 8.25 0.17 -5.18 115.22 123.19 1kkd n HIS 11 Ca 0.33 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1kkd n HIS 11 Cb 0.69 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1kkd n HIS 11 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1kkd n VAL 12 N -0.23 0.00 -2.69 1.59 0.24 -1.26 -4.73 118.33 111.25 1kkd n VAL 12 Ca 0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 1kkd n VAL 12 Cb 0.23 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.70 1kkd n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kkd n HIS 13 N 0.00 -1.55 -3.20 6.34 1.44 -1.26 -4.71 115.22 112.28 1kkd n HIS 13 Ca 0.00 -2.13 -0.22 0.00 -2.01 0.00 0.00 57.72 53.37 1kkd n HIS 13 Cb 0.00 1.11 0.02 0.00 0.12 0.00 0.00 29.99 31.24 1kkd n HIS 13 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1kkd n ASN 14 N -0.50 -6.61 -0.06 4.39 3.02 -1.26 -4.94 115.26 109.29 1kkd n ASN 14 Ca -0.00 0.25 -0.20 0.00 -0.03 0.00 0.00 54.58 54.60 1kkd n ASN 14 Cb 0.84 -3.13 -0.13 0.00 -0.61 0.00 0.00 39.78 36.76 1kkd n ASN 14 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1kkd n PHE 15 N 0.02 0.63 1.34 3.10 -1.74 -1.26 -4.17 117.46 115.38 1kkd n PHE 15 Ca -0.00 0.14 0.08 0.00 -0.56 0.00 0.00 57.45 57.10 1kkd n PHE 15 Cb 0.54 -1.08 0.31 0.00 1.52 0.00 0.00 39.48 40.77 1kkd n PHE 15 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kkd n MET 16 N -3.42 1.56 -0.21 3.97 0.00 -1.26 -4.23 117.12 113.53 1kkd n MET 16 Ca -0.39 -0.85 0.01 0.00 0.00 0.00 0.00 57.70 56.46 1kkd n MET 16 Cb 1.01 -1.31 0.09 0.00 0.00 0.00 0.00 33.22 33.01 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kkd h MET 17 N 1.59 0.06 -3.46 3.17 -0.00 -1.95 -2.95 114.93 111.39 1kkd h MET 17 Ca 0.00 -0.00 -0.77 0.00 -0.00 0.00 0.00 59.70 58.93 1kkd h MET 17 Cb 0.35 -0.01 -0.30 0.00 -0.00 0.00 0.00 31.60 31.63 1kkd h MET 17 CO 0.00 0.04 0.29 -0.25 -0.00 0.00 0.00 176.91 176.99 1kkd n ASP 18 N -5.35 5.13 0.04 -0.10 9.92 -1.26 -4.58 116.55 120.36 1kkd n ASP 18 Ca 0.09 -3.08 0.00 0.00 -0.53 0.00 0.00 54.79 51.27 1kkd n ASP 18 Cb 0.35 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1kkd n THR 19 N 2.50 0.37 -2.70 -3.53 -2.24 -1.11 -4.98 114.28 102.59 1kkd n THR 19 Ca 0.23 0.12 -0.07 0.00 -2.27 0.00 0.00 64.05 62.07 1kkd n THR 19 Cb 0.38 -1.17 0.12 0.00 -2.10 0.00 0.00 70.33 67.56 1kkd n THR 19 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1kkd n GLN 20 N -3.14 1.20 -3.14 -0.78 7.27 -1.26 -5.05 117.38 112.47 1kkd n GLN 20 Ca 0.00 -1.83 0.02 0.00 0.07 0.00 0.00 57.00 55.26 1kkd n GLN 20 Cb 0.17 -0.04 -0.01 0.00 2.41 0.00 0.00 30.24 32.77 1kkd n GLN 20 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1kkd s LEU 21 N -3.20 -1.36 -0.29 1.69 0.05 -1.26 -5.14 118.68 109.16 1kkd s LEU 21 Ca 0.22 -0.53 -0.19 0.00 0.05 0.00 0.00 54.13 53.68 1kkd s LEU 21 Cb 0.40 1.76 0.18 0.00 -2.05 0.00 0.00 46.19 46.47 1kkd s LEU 21 CO -0.09 -0.17 1.18 0.28 -0.55 0.00 0.00 176.35 177.00 1kkd s THR 22 N 2.05 0.00 0.59 5.48 -1.32 -1.26 -4.83 115.64 116.34 1kkd s THR 22 Ca 0.15 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 1kkd s THR 22 Cb -0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 1kkd s THR 22 CO -0.11 0.00 1.02 -1.59 -2.21 0.00 0.00 174.62 171.72 1kkd s LYS 23 N 0.83 3.65 0.00 7.08 -2.85 -1.26 -5.07 119.74 122.13 1kkd s LYS 23 Ca -0.04 0.87 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 1kkd s LYS 23 Cb -0.04 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1kkd s LYS 23 CO -0.12 -0.52 0.00 -2.13 0.10 0.00 0.00 175.35 172.68 1kkd n ARG 24 N -2.32 1.43 -1.14 1.78 0.63 -1.26 -4.75 116.66 111.02 1kkd n ARG 24 Ca 0.06 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.83 1kkd n ARG 24 Cb 0.54 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.32 1kkd n ARG 24 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1kkd n VAL 25 N -0.48 3.08 -2.50 5.15 3.14 -1.26 -4.47 118.33 120.99 1kkd n VAL 25 Ca 0.00 -1.94 -0.04 0.00 -2.96 0.00 0.00 64.34 59.40 1kkd n VAL 25 Cb 0.00 -1.86 0.02 0.00 -1.06 0.00 0.00 33.84 30.93 1kkd n VAL 25 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1kkd n LYS 26 N 1.98 -1.46 -3.71 1.45 3.00 -1.26 -3.26 118.16 114.89 1kkd n LYS 26 Ca 0.44 0.17 -0.26 0.00 -0.00 0.00 0.00 58.31 58.66 1kkd n LYS 26 Cb 0.80 -3.18 -0.05 0.00 0.00 0.00 0.00 35.03 32.60 1kkd n LYS 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1kkd n ASN 27 N -0.44 -1.49 0.00 3.14 0.23 -1.26 -4.68 115.26 110.77 1kkd n ASN 27 Ca -0.03 -0.55 0.08 0.00 -0.53 0.00 0.00 54.58 53.54 1kkd n ASN 27 Cb 0.52 -1.35 0.38 0.00 -2.08 0.00 0.00 39.78 37.26 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kkd n ALA 28 N -3.41 1.84 -1.54 -2.53 0.00 -1.20 -4.82 120.51 108.85 1kkd n ALA 28 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kkd n ALA 28 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1kkd n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd n ALA 29 N -1.32 0.00 -1.53 0.00 0.00 -1.26 -4.92 120.51 111.48 1kkd n ALA 29 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 1kkd n ALA 29 Cb 0.13 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 1kkd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd n ALA 30 N -1.20 0.58 -1.40 0.00 0.00 -1.26 -0.12 120.51 117.11 1kkd n ALA 30 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 1kkd n ALA 30 Cb 0.34 -2.82 -0.06 0.00 0.00 0.00 0.00 19.45 16.92 1kkd n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkd n ASN 31 N 13.64 -3.57 -2.01 0.00 3.02 -1.26 -1.30 115.26 123.78 1kkd n ASN 31 Ca 0.49 0.33 -0.01 0.00 -0.03 0.00 0.00 54.58 55.36 1kkd n ASN 31 Cb 0.33 -3.32 -0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1kkd n ASN 31 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1kkd n VAL 32 N -1.91 -0.04 0.00 2.41 0.31 0.83 0.30 118.33 120.23 1kkd n VAL 32 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1kkd n VAL 32 Cb 0.45 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1kkd n LEU 33 N -2.05 0.00 0.09 7.52 0.00 -0.42 -3.55 117.00 118.60 1kkd n LEU 33 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.96 1kkd n LEU 33 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.73 1kkd n LEU 33 CO 0.02 0.00 0.28 0.03 0.00 0.00 0.00 177.39 177.72 1kkd h ARG 34 N 0.00 0.00 -6.59 1.96 2.47 -1.81 -3.48 114.38 106.93 1kkd h ARG 34 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 1kkd h ARG 34 Cb 0.00 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.25 1kkd h ARG 34 CO 0.00 0.81 -0.91 -0.85 0.56 0.00 0.00 179.97 179.57 1kkd n GLU 35 N -3.34 -2.60 0.32 0.04 0.28 0.86 -4.61 120.64 111.58 1kkd n GLU 35 Ca 0.01 0.34 0.21 0.00 -0.16 0.00 0.00 57.16 57.56 1kkd n GLU 35 Cb 0.85 -4.25 1.12 0.00 1.43 0.00 0.00 31.44 30.58 1kkd n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kkd h THR 36 N -1.87 0.00 -0.46 3.84 1.03 -1.89 0.47 112.91 114.04 1kkd h THR 36 Ca -0.64 -0.04 -0.08 0.00 -0.01 0.00 0.00 66.41 65.63 1kkd h THR 36 Cb 1.38 0.99 -0.05 0.00 -1.07 0.00 0.00 68.15 69.40 1kkd h THR 36 CO 0.62 0.00 0.10 0.79 -0.01 0.00 0.00 175.52 177.03 1kkd n TRP 37 N -2.99 1.58 0.01 0.00 7.02 -1.26 -2.88 117.44 118.91 1kkd n TRP 37 Ca -0.03 -0.71 0.00 0.00 -1.02 0.00 0.00 57.50 55.75 1kkd n TRP 37 Cb 0.09 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 1kkd n TRP 37 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1kkd n LEU 38 N 0.18 -0.02 0.01 -0.99 4.32 0.13 -4.86 117.00 115.77 1kkd n LEU 38 Ca 0.24 0.02 -0.05 0.00 -0.02 0.00 0.00 56.01 56.20 1kkd n LEU 38 Cb 0.99 0.06 0.16 0.00 -1.62 0.00 0.00 43.42 43.01 1kkd n LEU 38 CO 0.27 -0.51 0.67 0.16 -1.22 0.00 0.00 177.39 176.76 1kkd h ILE 39 N 0.00 1.28 -5.98 -0.08 3.07 -0.70 -3.48 117.51 111.63 1kkd h ILE 39 Ca 0.00 -1.41 -0.22 0.00 1.55 0.00 0.00 64.86 64.78 1kkd h ILE 39 Cb 0.00 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 1kkd h ILE 39 CO 0.00 0.45 -0.52 -1.22 -1.05 0.00 0.00 178.15 175.81 1kkd n TYR 40 N -4.08 -2.60 0.00 0.16 4.01 -1.14 -3.72 117.16 109.79 1kkd n TYR 40 Ca -0.01 1.02 0.00 0.00 -0.16 0.00 0.00 57.90 58.75 1kkd n TYR 40 Cb 0.46 -3.48 0.00 0.00 -0.31 0.00 0.00 39.34 36.00 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kkd n LYS 41 N -2.02 0.00 -2.93 -0.72 4.76 -1.26 -4.81 118.16 111.19 1kkd n LYS 41 Ca -0.13 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1kkd n LYS 41 Cb 0.59 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1kkd n LYS 41 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1kkd n ASN 42 N 2.06 -7.40 -0.70 4.39 3.02 -1.24 -4.73 115.26 110.65 1kkd n ASN 42 Ca 0.00 0.99 0.09 0.00 -0.03 0.00 0.00 54.58 55.63 1kkd n ASN 42 Cb 0.00 -3.70 -0.02 0.00 -0.61 0.00 0.00 39.78 35.44 1kkd n ASN 42 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1kkd n THR 43 N 0.97 0.00 -3.78 3.41 5.66 -1.26 -4.70 114.28 114.58 1kkd n THR 43 Ca -0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1kkd n THR 43 Cb 0.22 -0.23 -0.15 0.00 -1.55 0.00 0.00 70.33 68.62 1kkd n THR 43 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1kkd s LYS 44 N -1.53 0.93 -1.11 1.09 1.02 -1.26 -5.01 119.74 113.87 1kkd s LYS 44 Ca 0.00 -1.36 -0.04 0.00 0.02 0.00 0.00 55.97 54.59 1kkd s LYS 44 Cb 0.00 -2.25 0.15 0.00 -0.52 0.00 0.00 37.83 35.21 1kkd s LYS 44 CO 0.00 -1.01 2.36 1.47 -0.92 0.00 0.00 175.35 177.25 1kkd n LEU 45 N 4.54 7.66 -3.68 3.17 -0.00 -1.26 -4.73 117.00 122.70 1kkd n LEU 45 Ca 0.01 -4.83 -0.27 0.00 -0.00 0.00 0.00 56.01 50.92 1kkd n LEU 45 Cb 0.41 -1.30 -0.10 0.00 -0.00 0.00 0.00 43.42 42.42 1kkd n LEU 45 CO 0.15 2.00 -0.05 0.52 -0.00 0.00 0.00 177.39 180.01 1kkd n VAL 46 N 1.22 1.40 -2.22 1.47 0.31 -1.26 -4.95 118.33 114.30 1kkd n VAL 46 Ca 0.58 -4.76 -0.39 0.00 -0.01 0.00 0.00 64.34 59.75 1kkd n VAL 46 Cb 0.30 -2.09 0.01 0.00 -0.91 0.00 0.00 33.84 31.15 1kkd n VAL 46 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1kkd n LYS 47 N 1.72 4.28 -0.93 5.55 -0.00 -1.26 -4.88 118.16 122.64 1kkd n LYS 47 Ca 0.24 -3.93 -0.38 0.00 -0.00 0.00 0.00 58.31 54.24 1kkd n LYS 47 Cb 0.39 -2.41 -0.06 0.00 -0.00 0.00 0.00 35.03 32.96 1kkd n LYS 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1kkd n LYS 48 N 0.19 1.33 -0.38 -1.58 -0.00 -1.26 -4.89 118.16 111.57 1kkd n LYS 48 Ca 0.52 -1.60 -0.30 0.00 -0.00 0.00 0.00 58.31 56.93 1kkd n LYS 48 Cb 0.28 -2.73 0.29 0.00 -0.00 0.00 0.00 35.03 32.86 1kkd n LYS 48 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1kkd s ILE 49 N 4.98 1.28 0.00 0.58 -4.36 -1.26 -4.95 121.20 117.47 1kkd s ILE 49 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.92 1kkd s ILE 49 Cb 0.13 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1kkd s ILE 49 CO 0.12 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.77 1kkd n ASP 50 N -5.59 0.00 -3.95 4.36 8.00 -1.26 -5.06 116.55 113.05 1kkd n ASP 50 Ca 0.11 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.24 1kkd n ASP 50 Cb 0.59 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1kkd n HIS 51 N -1.17 -1.68 0.00 1.24 -0.00 -1.26 -4.90 115.22 107.46 1kkd n HIS 51 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 1kkd n HIS 51 Cb 0.00 -2.77 0.00 0.00 -0.00 0.00 0.00 29.99 27.22 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkd n ALA 52 N -3.98 0.00 -1.13 1.57 0.00 -1.26 -5.14 120.51 110.58 1kkd n ALA 52 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1kkd n ALA 52 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1kkd n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kkd n LYS 53 N -0.06 -0.80 -2.17 0.00 4.01 -1.26 -4.97 118.16 112.91 1kkd n LYS 53 Ca 0.00 1.00 -0.03 0.00 -0.51 0.00 0.00 58.31 58.77 1kkd n LYS 53 Cb 0.00 -1.06 -0.03 0.00 -0.51 0.00 0.00 35.03 33.44 1kkd n LYS 53 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1kkd n VAL 54 N 0.28 -9.92 -1.53 -0.18 0.31 -1.26 -4.68 118.33 101.35 1kkd n VAL 54 Ca 0.00 2.01 -0.32 0.00 -0.01 0.00 0.00 64.34 66.02 1kkd n VAL 54 Cb 0.00 -5.50 -0.08 0.00 -0.91 0.00 0.00 33.84 27.35 1kkd n VAL 54 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1kkd n ARG 55 N 1.20 1.12 -1.63 5.55 3.00 -1.26 -4.88 116.66 119.76 1kkd n ARG 55 Ca -0.22 -1.99 -0.20 0.00 -0.01 0.00 0.00 57.85 55.43 1kkd n ARG 55 Cb 0.34 -3.39 0.13 0.00 0.00 0.00 0.00 32.46 29.54 1kkd n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1kkd n LYS 56 N 7.87 -0.60 -1.19 5.56 4.76 -1.26 -4.19 118.16 129.10 1kkd n LYS 56 Ca 0.46 -1.69 -0.07 0.00 -2.87 0.00 0.00 58.31 54.14 1kkd n LYS 56 Cb 0.44 -0.83 -0.03 0.00 -1.84 0.00 0.00 35.03 32.77 1kkd n LYS 56 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1kkd n HIS 57 N -3.05 0.00 -2.76 2.13 -0.00 -1.26 -4.13 115.22 106.15 1kkd n HIS 57 Ca 0.12 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.27 1kkd n HIS 57 Cb 0.43 -1.93 -0.03 0.00 -0.12 0.00 0.00 29.99 28.34 1kkd n HIS 57 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1kkd n GLN 58 N -1.33 -3.33 -2.71 1.57 3.00 -1.26 -5.00 117.38 108.31 1kkd n GLN 58 Ca -0.07 2.60 -0.08 0.00 -0.01 0.00 0.00 57.00 59.44 1kkd n GLN 58 Cb 0.40 -3.40 0.11 0.00 0.00 0.00 0.00 30.24 27.35 1kkd n GLN 58 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1kkd n ARG 59 N 2.05 1.15 -2.82 -1.09 1.85 -1.26 -4.98 116.66 111.56 1kkd n ARG 59 Ca -0.25 -1.92 -0.11 0.00 -1.00 0.00 0.00 57.85 54.57 1kkd n ARG 59 Cb 0.39 -0.36 0.04 0.00 -1.05 0.00 0.00 32.46 31.48 1kkd n ARG 59 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1kkd n LYS 60 N -0.33 1.09 -3.56 2.89 0.00 -1.26 -5.03 118.16 111.97 1kkd n LYS 60 Ca 0.00 -2.89 -0.06 0.00 -0.00 0.00 0.00 58.31 55.36 1kkd n LYS 60 Cb 0.81 -1.13 -0.02 0.00 -0.00 0.00 0.00 35.03 34.69 1kkd n LYS 60 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1kkd s PHE 61 N -1.97 -0.22 0.72 5.58 -0.12 -1.26 -5.18 117.98 115.53 1kkd s PHE 61 Ca 0.29 0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 57.27 1kkd s PHE 61 Cb 0.40 0.52 0.11 0.00 -0.63 0.00 0.00 43.02 43.42 1kkd s PHE 61 CO -0.03 -0.34 1.00 -0.48 -0.05 0.00 0.00 175.22 175.33 1kkd s LEU 62 N -2.29 2.96 -0.72 -1.99 0.05 -1.26 -5.04 118.68 110.40 1kkd s LEU 62 Ca 0.07 -0.03 -0.11 0.00 0.05 0.00 0.00 54.13 54.11 1kkd s LEU 62 Cb -0.01 -2.43 0.19 0.00 -2.05 0.00 0.00 46.19 41.88 1kkd s LEU 62 CO -0.06 -1.79 0.63 -1.58 -0.55 0.00 0.00 176.35 172.99 1kkd s GLN 63 N -5.20 3.20 -0.30 1.48 0.74 -1.26 -4.88 119.66 113.44 1kkd s GLN 63 Ca 0.64 -2.32 -0.15 0.00 0.05 0.00 0.00 55.36 53.58 1kkd s GLN 63 Cb -0.07 -4.22 0.18 0.00 1.10 0.00 0.00 33.01 30.01 1kkd s GLN 63 CO 0.44 -1.26 1.17 0.00 -0.55 0.00 0.00 175.29 175.09 1kkd s ALA 64 N 0.40 -4.75 -0.93 1.58 0.00 -1.26 -5.01 121.76 111.79 1kkd s ALA 64 Ca 0.15 1.50 0.25 0.00 0.00 0.00 0.00 51.96 53.86 1kkd s ALA 64 Cb -0.16 -3.01 0.55 0.00 0.00 0.00 0.00 23.12 20.50 1kkd s ALA 64 CO -0.05 -2.37 1.45 0.44 0.00 0.00 0.00 175.76 175.23 1kkd n ILE 65 N 4.29 0.07 -1.51 0.00 -6.64 -1.26 -3.79 119.36 110.52 1kkd n ILE 65 Ca 0.08 -0.06 -0.33 0.00 -1.77 0.00 0.00 62.75 60.67 1kkd n ILE 65 Cb 0.62 0.09 0.07 0.00 -1.44 0.00 0.00 39.64 38.98 1kkd n ILE 65 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1kkd n HIS 66 N -1.62 3.13 -1.48 4.28 -0.00 -1.26 -5.04 115.22 113.22 1kkd n HIS 66 Ca 0.05 -2.84 0.19 0.00 0.46 0.00 0.00 57.72 55.58 1kkd n HIS 66 Cb 0.36 -1.20 -0.07 0.00 -0.12 0.00 0.00 29.99 28.96 1kkd n HIS 66 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1kkd n GLN 67 N -0.86 -3.20 -2.10 1.57 7.27 -1.25 -4.50 117.38 114.31 1kkd n GLN 67 Ca 0.58 2.39 -0.42 0.00 0.07 0.00 0.00 57.00 59.63 1kkd n GLN 67 Cb 0.71 -3.82 -0.03 0.00 2.41 0.00 0.00 30.24 29.51 1kkd n GLN 67 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1kkd s LEU 68 N -7.29 3.49 0.51 1.69 1.43 -1.26 -4.91 118.68 112.33 1kkd s LEU 68 Ca 0.00 1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.93 1kkd s LEU 68 Cb 0.00 -3.35 -0.14 0.00 0.03 0.00 0.00 46.19 42.73 1kkd s LEU 68 CO 0.00 -1.75 -0.16 0.54 0.23 0.00 0.00 176.35 175.21 1kkd n ARG 69 N 8.47 0.00 -1.66 1.70 1.74 -1.26 -4.54 116.66 121.12 1kkd n ARG 69 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1kkd n ARG 69 Cb 0.48 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1kkd n ARG 69 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1kkd n SER 70 N 2.44 -8.79 0.00 0.55 7.64 -1.26 -5.04 113.62 109.16 1kkd n SER 70 Ca 0.07 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1kkd n SER 70 Cb 0.45 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1kkd n SER 70 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1kkd n VAL 71 N -0.37 0.00 -3.27 0.44 3.14 -1.26 -5.04 118.33 111.97 1kkd n VAL 71 Ca 0.00 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.16 1kkd n VAL 71 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1kkd n VAL 71 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1kkd s LYS 72 N -0.97 0.89 0.00 1.45 -0.14 -1.26 -5.00 119.74 114.71 1kkd s LYS 72 Ca 0.00 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 52.84 1kkd s LYS 72 Cb 0.00 -1.09 0.00 0.00 -1.68 0.00 0.00 37.83 35.06 1kkd s LYS 72 CO 0.00 -1.35 0.10 -1.33 -0.76 0.00 0.00 175.35 172.01 1kkd n MET 73 N 3.03 0.00 -0.01 1.68 2.81 -1.26 -4.79 117.12 118.59 1kkd n MET 73 Ca 0.25 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1kkd n MET 73 Cb 0.49 -0.65 0.00 0.00 -0.71 0.00 0.00 33.22 32.35 1kkd n MET 73 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1kkd n GLU 74 N -0.68 1.23 -1.54 0.03 1.02 -1.26 -5.09 120.64 114.36 1kkd n GLU 74 Ca 0.00 -0.94 -0.41 0.00 -0.02 0.00 0.00 57.16 55.78 1kkd n GLU 74 Cb 0.00 -0.72 0.01 0.00 -0.02 0.00 0.00 31.44 30.71 1kkd n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1kkd n GLN 75 N -0.22 0.97 -1.81 3.49 3.00 -1.26 -4.52 117.38 117.03 1kkd n GLN 75 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1kkd n GLN 75 Cb 0.40 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1kkd n GLN 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1kkd n ARG 76 N 0.29 -5.06 -4.85 -1.09 1.74 -1.26 -4.99 116.66 101.44 1kkd n ARG 76 Ca 0.11 3.65 -0.30 0.00 -0.77 0.00 0.00 57.85 60.53 1kkd n ARG 76 Cb 0.39 -4.02 -0.17 0.00 -1.02 0.00 0.00 32.46 27.65 1kkd n ARG 76 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kkd s LYS 77 N -2.17 2.67 0.65 5.56 1.02 -1.26 -5.10 119.74 121.10 1kkd s LYS 77 Ca 0.00 -0.74 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 1kkd s LYS 77 Cb 0.00 -2.11 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1kkd s LYS 77 CO 0.00 0.07 -0.41 1.28 -0.92 0.00 0.00 175.35 175.36 1kkd n LEU 78 N 3.82 -4.22 0.00 3.17 4.32 -1.26 -4.83 117.00 118.00 1kkd n LEU 78 Ca -0.20 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1kkd n LEU 78 Cb 0.52 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1kkd n LEU 78 CO 0.27 -4.69 0.00 -3.20 -1.22 0.00 0.00 177.39 168.55 1kkd n ASN 79 N 2.60 0.00 -3.21 -1.43 5.15 -1.26 -5.09 115.26 112.02 1kkd n ASN 79 Ca 0.02 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.92 1kkd n ASN 79 Cb 0.44 0.01 0.01 0.00 -0.53 0.00 0.00 39.78 39.71 1kkd n ASN 79 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1kkd n ASP 80 N -0.95 -6.49 -1.38 1.20 10.43 -1.26 -4.63 116.55 113.47 1kkd n ASP 80 Ca 0.00 0.37 0.16 0.00 2.57 0.00 0.00 54.79 57.89 1kkd n ASP 80 Cb 0.00 -1.94 -0.09 0.00 1.84 0.00 0.00 41.12 40.93 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1kkd n GLN 81 N 0.93 -3.07 -0.01 -1.24 7.27 -1.26 -4.82 117.38 115.18 1kkd n GLN 81 Ca -0.02 2.51 0.05 0.00 0.07 0.00 0.00 57.00 59.62 1kkd n GLN 81 Cb 0.50 -3.65 -0.09 0.00 2.41 0.00 0.00 30.24 29.41 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kkd n ALA 82 N -4.21 2.37 -3.59 1.69 0.00 -1.26 -4.98 120.51 110.54 1kkd n ALA 82 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 1kkd n ALA 82 Cb 0.64 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 1kkd n ALA 82 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kkd s ASN 83 N -3.32 -0.88 -0.05 0.00 -0.87 -1.26 -5.03 114.94 103.53 1kkd s ASN 83 Ca -0.04 1.26 -0.08 0.00 -1.57 0.00 0.00 52.86 52.44 1kkd s ASN 83 Cb 0.07 1.80 -0.29 0.00 -0.02 0.00 0.00 41.25 42.81 1kkd s ASN 83 CO 0.46 -0.18 0.66 0.00 -2.57 0.00 0.00 177.10 175.46 1kkd h THR 84 N 5.53 0.93 0.00 1.60 1.03 -1.95 -3.47 112.91 116.58 1kkd h THR 84 Ca -0.21 -2.56 0.00 0.00 -0.01 0.00 0.00 66.41 63.63 1kkd h THR 84 Cb 1.14 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.93 1kkd h THR 84 CO 0.12 0.84 0.00 0.00 -0.01 0.00 0.00 175.52 176.47 1kkd n LEU 85 N -3.52 0.00 -2.78 0.00 -0.00 -1.26 -5.09 117.00 104.34 1kkd n LEU 85 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.72 1kkd n LEU 85 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.49 1kkd n LEU 85 CO 0.50 0.00 0.11 0.55 -0.00 0.00 0.00 177.39 178.54 1kkd n VAL 86 N 0.00 -0.05 -2.75 1.47 3.14 -1.26 -5.03 118.33 113.85 1kkd n VAL 86 Ca 0.00 -1.13 -0.01 0.00 -2.96 0.00 0.00 64.34 60.24 1kkd n VAL 86 Cb 0.00 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 1kkd n VAL 86 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1kkd n ASP 87 N 2.85 -8.01 -0.98 6.55 8.00 -1.26 -4.86 116.55 118.84 1kkd n ASP 87 Ca 0.18 1.35 0.04 0.00 0.71 0.00 0.00 54.79 57.07 1kkd n ASP 87 Cb 0.56 -5.25 0.18 0.00 -0.02 0.00 0.00 41.12 36.59 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkd n LEU 88 N 0.65 2.77 -3.52 0.64 -0.00 -1.26 -4.90 117.00 111.39 1kkd n LEU 88 Ca 0.01 -1.40 -0.25 0.00 -0.00 0.00 0.00 56.01 54.37 1kkd n LEU 88 Cb 0.05 -0.45 0.05 0.00 -0.00 0.00 0.00 43.42 43.07 1kkd n LEU 88 CO 0.44 0.46 -0.03 0.00 -0.00 0.00 0.00 177.39 178.25 1kkd n ALA 89 N 0.42 -2.52 -0.29 1.47 0.00 -1.26 -4.65 120.51 113.68 1kkd n ALA 89 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1kkd n ALA 89 Cb 0.55 -4.77 0.00 0.00 0.00 0.00 0.00 19.45 15.23 1kkd n ALA 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkd n LYS 90 N -3.82 0.00 -3.24 0.00 3.00 -1.26 -4.87 118.16 107.97 1kkd n LYS 90 Ca -0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.97 1kkd n LYS 90 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.66 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1kkd n THR 91 N 0.00 -3.02 0.37 3.15 -2.24 -1.26 -5.17 114.28 106.11 1kkd n THR 91 Ca 0.00 0.19 0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1kkd n THR 91 Cb 0.00 -3.11 0.04 0.00 -2.10 0.00 0.00 70.33 65.15 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50